----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:54:34]------------------------- 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: [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.784644175666551 -2.780444929999999 0.000000000000000 b 4.784644175666551 2.780444929999999 0.000000000000000 c -1.008015251521947 0.000000000000000 6.071875005114409 Atomic positions (fractional): *1 B 0.16771222059556 0.16771222059556 0.75169022737394 10.811 2 B 0.83228777940444 0.83228777940444 0.24830977262606 10.811 *3 O 0.11268485286522 0.68234248425723 0.20792857247649 15.999 4 O 0.31765751574277 0.88731514713478 0.79207142752351 15.999 5 O 0.88731514713478 0.31765751574277 0.79207142752351 15.999 6 O 0.68234248425723 0.11268485286522 0.20792857247649 15.999 *7 O 0.29746886703987 0.29746886703987 0.67678812557366 15.999 8 O 0.70253113296013 0.70253113296013 0.32321187442634 15.999 *9 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *11 Ba 0.16656448529653 0.16656448529653 0.24152670489969 137.327 12 Ba 0.83343551470347 0.83343551470347 0.75847329510031 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.569288351333102 0.000000000000000 0.000000000000000 b 0.000000000000000 5.560889859999999 0.000000000000000 c -1.008015251521947 0.000000000000000 6.071875005114409 Atomic positions (fractional): *1 B 0.16771222059556 0.00000000000000 0.75169022737394 10.811 > 1 2 B 0.83228777940444 0.00000000000000 0.24830977262606 10.811 > 2 3 B 0.66771222059556 0.50000000000000 0.75169022737394 10.811 > 1 4 B 0.33228777940444 0.50000000000000 0.24830977262606 10.811 > 2 *5 O 0.39751366856122 0.28482881569600 0.20792857247649 15.999 > 3 6 O 0.60248633143878 0.28482881569600 0.79207142752351 15.999 > 4 7 O 0.60248633143878 0.71517118430400 0.79207142752351 15.999 > 5 8 O 0.39751366856122 0.71517118430400 0.20792857247649 15.999 > 6 *9 O 0.29746886703987 0.00000000000000 0.67678812557366 15.999 > 7 10 O 0.70253113296013 0.00000000000000 0.32321187442634 15.999 > 8 11 O 0.89751366856122 0.78482881569600 0.20792857247649 15.999 > 3 12 O 0.10248633143878 0.78482881569600 0.79207142752351 15.999 > 4 13 O 0.10248633143878 0.21517118430400 0.79207142752351 15.999 > 5 14 O 0.89751366856122 0.21517118430400 0.20792857247649 15.999 > 6 15 O 0.79746886703987 0.50000000000000 0.67678812557366 15.999 > 7 16 O 0.20253113296013 0.50000000000000 0.32321187442634 15.999 > 8 *17 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 9 *18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 10 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 9 20 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 10 *21 Ba 0.16656448529653 0.00000000000000 0.24152670489969 137.327 > 11 22 Ba 0.83343551470347 0.00000000000000 0.75847329510031 137.327 > 12 23 Ba 0.66656448529653 0.50000000000000 0.24152670489969 137.327 > 11 24 Ba 0.33343551470347 0.50000000000000 0.75847329510031 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.569288351333102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.121779719999997 0.000000000000000 c -2.016030503043894 0.000000000000000 12.143750010228818 Atomic positions (fractional): *1 B 0.16771222059556 0.00000000000000 0.37584511368697 10.811 > 1 2 B 0.16771222059556 0.50000000000000 0.37584511368697 10.811 > 1 3 B 0.16771222059556 0.00000000000000 0.87584511368697 10.811 > 1 4 B 0.16771222059556 0.50000000000000 0.87584511368697 10.811 > 1 5 B 0.83228777940444 0.00000000000000 0.12415488631303 10.811 > 2 6 B 0.83228777940444 0.50000000000000 0.12415488631303 10.811 > 2 7 B 0.83228777940444 0.00000000000000 0.62415488631303 10.811 > 2 8 B 0.83228777940444 0.50000000000000 0.62415488631303 10.811 > 2 9 B 0.66771222059556 0.25000000000000 0.37584511368697 10.811 > 1 10 B 0.66771222059556 0.75000000000000 0.37584511368697 10.811 > 1 11 B 0.66771222059556 0.25000000000000 0.87584511368697 10.811 > 1 12 B 0.66771222059556 0.75000000000000 0.87584511368697 10.811 > 1 13 B 0.33228777940444 0.25000000000000 0.12415488631303 10.811 > 2 14 B 0.33228777940444 0.75000000000000 0.12415488631303 10.811 > 2 15 B 0.33228777940444 0.25000000000000 0.62415488631303 10.811 > 2 16 B 0.33228777940444 0.75000000000000 0.62415488631303 10.811 > 2 *17 O 0.39751366856122 0.14241440784800 0.10396428623825 15.999 > 3 18 O 0.39751366856122 0.64241440784800 0.10396428623825 15.999 > 3 19 O 0.39751366856122 0.14241440784800 0.60396428623825 15.999 > 3 20 O 0.39751366856122 0.64241440784800 0.60396428623825 15.999 > 3 21 O 0.60248633143878 0.14241440784800 0.39603571376175 15.999 > 4 22 O 0.60248633143878 0.64241440784800 0.39603571376175 15.999 > 4 23 O 0.60248633143878 0.14241440784800 0.89603571376175 15.999 > 4 24 O 0.60248633143878 0.64241440784800 0.89603571376175 15.999 > 4 25 O 0.60248633143878 0.35758559215200 0.39603571376175 15.999 > 5 26 O 0.60248633143878 0.85758559215200 0.39603571376175 15.999 > 5 27 O 0.60248633143878 0.35758559215200 0.89603571376175 15.999 > 5 28 O 0.60248633143878 0.85758559215200 0.89603571376175 15.999 > 5 29 O 0.39751366856122 0.35758559215200 0.10396428623825 15.999 > 6 30 O 0.39751366856122 0.85758559215200 0.10396428623825 15.999 > 6 31 O 0.39751366856122 0.35758559215200 0.60396428623825 15.999 > 6 32 O 0.39751366856122 0.85758559215200 0.60396428623825 15.999 > 6 *33 O 0.29746886703987 0.00000000000000 0.33839406278683 15.999 > 7 34 O 0.29746886703987 0.50000000000000 0.33839406278683 15.999 > 7 35 O 0.29746886703987 0.00000000000000 0.83839406278683 15.999 > 7 36 O 0.29746886703987 0.50000000000000 0.83839406278683 15.999 > 7 37 O 0.70253113296013 0.00000000000000 0.16160593721317 15.999 > 8 38 O 0.70253113296013 0.50000000000000 0.16160593721317 15.999 > 8 39 O 0.70253113296013 0.00000000000000 0.66160593721317 15.999 > 8 40 O 0.70253113296013 0.50000000000000 0.66160593721317 15.999 > 8 41 O 0.89751366856122 0.39241440784800 0.10396428623825 15.999 > 3 42 O 0.89751366856122 0.89241440784800 0.10396428623825 15.999 > 3 43 O 0.89751366856122 0.39241440784800 0.60396428623825 15.999 > 3 44 O 0.89751366856122 0.89241440784800 0.60396428623825 15.999 > 3 45 O 0.10248633143878 0.39241440784800 0.39603571376175 15.999 > 4 46 O 0.10248633143878 0.89241440784800 0.39603571376175 15.999 > 4 47 O 0.10248633143878 0.39241440784800 0.89603571376175 15.999 > 4 48 O 0.10248633143878 0.89241440784800 0.89603571376175 15.999 > 4 49 O 0.10248633143878 0.10758559215200 0.39603571376175 15.999 > 5 50 O 0.10248633143878 0.60758559215200 0.39603571376175 15.999 > 5 51 O 0.10248633143878 0.10758559215200 0.89603571376175 15.999 > 5 52 O 0.10248633143878 0.60758559215200 0.89603571376175 15.999 > 5 53 O 0.89751366856122 0.10758559215200 0.10396428623825 15.999 > 6 54 O 0.89751366856122 0.60758559215200 0.10396428623825 15.999 > 6 55 O 0.89751366856122 0.10758559215200 0.60396428623825 15.999 > 6 56 O 0.89751366856122 0.60758559215200 0.60396428623825 15.999 > 6 57 O 0.79746886703987 0.25000000000000 0.33839406278683 15.999 > 7 58 O 0.79746886703987 0.75000000000000 0.33839406278683 15.999 > 7 59 O 0.79746886703987 0.25000000000000 0.83839406278683 15.999 > 7 60 O 0.79746886703987 0.75000000000000 0.83839406278683 15.999 > 7 61 O 0.20253113296013 0.25000000000000 0.16160593721317 15.999 > 8 62 O 0.20253113296013 0.75000000000000 0.16160593721317 15.999 > 8 63 O 0.20253113296013 0.25000000000000 0.66160593721317 15.999 > 8 64 O 0.20253113296013 0.75000000000000 0.66160593721317 15.999 > 8 *65 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 9 66 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 9 67 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 9 68 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 9 *69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 10 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 10 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 10 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 10 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 9 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 9 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 9 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 9 77 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 10 78 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 10 79 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 10 80 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 10 *81 Ba 0.16656448529653 0.00000000000000 0.12076335244985 137.327 > 11 82 Ba 0.16656448529653 0.50000000000000 0.12076335244985 137.327 > 11 83 Ba 0.16656448529653 0.00000000000000 0.62076335244985 137.327 > 11 84 Ba 0.16656448529653 0.50000000000000 0.62076335244985 137.327 > 11 85 Ba 0.83343551470347 0.00000000000000 0.37923664755015 137.327 > 12 86 Ba 0.83343551470347 0.50000000000000 0.37923664755015 137.327 > 12 87 Ba 0.83343551470347 0.00000000000000 0.87923664755015 137.327 > 12 88 Ba 0.83343551470347 0.50000000000000 0.87923664755015 137.327 > 12 89 Ba 0.66656448529653 0.25000000000000 0.12076335244985 137.327 > 11 90 Ba 0.66656448529653 0.75000000000000 0.12076335244985 137.327 > 11 91 Ba 0.66656448529653 0.25000000000000 0.62076335244985 137.327 > 11 92 Ba 0.66656448529653 0.75000000000000 0.62076335244985 137.327 > 11 93 Ba 0.33343551470347 0.25000000000000 0.37923664755015 137.327 > 12 94 Ba 0.33343551470347 0.75000000000000 0.37923664755015 137.327 > 12 95 Ba 0.33343551470347 0.25000000000000 0.87923664755015 137.327 > 12 96 Ba 0.33343551470347 0.75000000000000 0.87923664755015 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2007359 0.0000000 -0.0715185 0.0000000 3.2447218 0.0000000 -0.0715194 0.0000000 3.0715729 -------------------------- Born effective charges -------------------------- 1 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 2 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 3 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 4 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 5 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 6 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 7 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 8 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 9 Na 1.2430477 0.0000000 0.0362931 0.0000000 1.1480644 0.0000000 0.0105821 0.0000000 1.0992355 10 Na 1.1808534 0.0000000 0.0241615 0.0000000 1.2354538 0.0000000 0.0160061 0.0000000 1.0415972 11 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 12 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6192/6192 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1447 Number of blocks in projector: 1447 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: 358 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 215 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 215 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 215 Use standard eigh solver. Tree of FC basis block matrices: - (1447, 1414), data: False |-- (215, 209), data: True |-- (215, 209), data: True |-- (215, 209), data: True |-- (222, 220), data: True |-- (222, 220), data: True |-- (358, 347), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 1.708 Solver_block: 200 / 400 - Time: 1.688 Solver_block: 300 / 400 - Time: 1.639 Solver_block: 400 / 400 - Time: 1.690 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.935 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 288/288 Permutation basis: 6192/6192 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1447 Number of blocks in projector: 1447 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: 358 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 222 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 215 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 215 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 215 Use standard eigh solver. Tree of FC basis block matrices: - (1447, 1414), data: False |-- (215, 209), data: True |-- (215, 209), data: True |-- (215, 209), data: True |-- (222, 220), data: True |-- (222, 220), data: True |-- (358, 347), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:55:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:55:06]------------------------- 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): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.784644175666551 -2.780444929999999 0.000000000000000 b 4.784644175666551 2.780444929999999 0.000000000000000 c -1.008015251521947 0.000000000000000 6.071875005114409 Atomic positions (fractional): 1 B 0.16771222059556 0.16771222059556 0.75169022737394 10.811 2 B 0.83228777940444 0.83228777940444 0.24830977262606 10.811 3 O 0.11268485286522 0.68234248425723 0.20792857247649 15.999 4 O 0.31765751574277 0.88731514713478 0.79207142752351 15.999 5 O 0.88731514713478 0.31765751574277 0.79207142752351 15.999 6 O 0.68234248425723 0.11268485286522 0.20792857247649 15.999 7 O 0.29746886703987 0.29746886703987 0.67678812557366 15.999 8 O 0.70253113296013 0.70253113296013 0.32321187442634 15.999 9 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 11 Ba 0.16656448529653 0.16656448529653 0.24152670489969 137.327 12 Ba 0.83343551470347 0.83343551470347 0.75847329510031 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.569288351333102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.121779719999997 0.000000000000000 c -2.016030503043894 0.000000000000000 12.143750010228818 Atomic positions (fractional): 1 B 0.16771222059556 0.00000000000000 0.37584511368697 10.811 > 1 2 B 0.16771222059556 0.50000000000000 0.37584511368697 10.811 > 1 3 B 0.16771222059556 0.00000000000000 0.87584511368697 10.811 > 1 4 B 0.16771222059556 0.50000000000000 0.87584511368697 10.811 > 1 5 B 0.83228777940444 0.00000000000000 0.12415488631303 10.811 > 5 6 B 0.83228777940444 0.50000000000000 0.12415488631303 10.811 > 5 7 B 0.83228777940444 0.00000000000000 0.62415488631303 10.811 > 5 8 B 0.83228777940444 0.50000000000000 0.62415488631303 10.811 > 5 9 B 0.66771222059556 0.25000000000000 0.37584511368697 10.811 > 1 10 B 0.66771222059556 0.75000000000000 0.37584511368697 10.811 > 1 11 B 0.66771222059556 0.25000000000000 0.87584511368697 10.811 > 1 12 B 0.66771222059556 0.75000000000000 0.87584511368697 10.811 > 1 13 B 0.33228777940444 0.25000000000000 0.12415488631303 10.811 > 5 14 B 0.33228777940444 0.75000000000000 0.12415488631303 10.811 > 5 15 B 0.33228777940444 0.25000000000000 0.62415488631303 10.811 > 5 16 B 0.33228777940444 0.75000000000000 0.62415488631303 10.811 > 5 17 O 0.39751366856122 0.14241440784800 0.10396428623825 15.999 > 17 18 O 0.39751366856122 0.64241440784800 0.10396428623825 15.999 > 17 19 O 0.39751366856122 0.14241440784800 0.60396428623825 15.999 > 17 20 O 0.39751366856122 0.64241440784800 0.60396428623825 15.999 > 17 21 O 0.60248633143878 0.14241440784800 0.39603571376175 15.999 > 21 22 O 0.60248633143878 0.64241440784800 0.39603571376175 15.999 > 21 23 O 0.60248633143878 0.14241440784800 0.89603571376175 15.999 > 21 24 O 0.60248633143878 0.64241440784800 0.89603571376175 15.999 > 21 25 O 0.60248633143878 0.35758559215200 0.39603571376175 15.999 > 25 26 O 0.60248633143878 0.85758559215200 0.39603571376175 15.999 > 25 27 O 0.60248633143878 0.35758559215200 0.89603571376175 15.999 > 25 28 O 0.60248633143878 0.85758559215200 0.89603571376175 15.999 > 25 29 O 0.39751366856122 0.35758559215200 0.10396428623825 15.999 > 29 30 O 0.39751366856122 0.85758559215200 0.10396428623825 15.999 > 29 31 O 0.39751366856122 0.35758559215200 0.60396428623825 15.999 > 29 32 O 0.39751366856122 0.85758559215200 0.60396428623825 15.999 > 29 33 O 0.29746886703987 0.00000000000000 0.33839406278683 15.999 > 33 34 O 0.29746886703987 0.50000000000000 0.33839406278683 15.999 > 33 35 O 0.29746886703987 0.00000000000000 0.83839406278683 15.999 > 33 36 O 0.29746886703987 0.50000000000000 0.83839406278683 15.999 > 33 37 O 0.70253113296013 0.00000000000000 0.16160593721317 15.999 > 37 38 O 0.70253113296013 0.50000000000000 0.16160593721317 15.999 > 37 39 O 0.70253113296013 0.00000000000000 0.66160593721317 15.999 > 37 40 O 0.70253113296013 0.50000000000000 0.66160593721317 15.999 > 37 41 O 0.89751366856122 0.39241440784800 0.10396428623825 15.999 > 17 42 O 0.89751366856122 0.89241440784800 0.10396428623825 15.999 > 17 43 O 0.89751366856122 0.39241440784800 0.60396428623825 15.999 > 17 44 O 0.89751366856122 0.89241440784800 0.60396428623825 15.999 > 17 45 O 0.10248633143878 0.39241440784800 0.39603571376175 15.999 > 21 46 O 0.10248633143878 0.89241440784800 0.39603571376175 15.999 > 21 47 O 0.10248633143878 0.39241440784800 0.89603571376175 15.999 > 21 48 O 0.10248633143878 0.89241440784800 0.89603571376175 15.999 > 21 49 O 0.10248633143878 0.10758559215200 0.39603571376175 15.999 > 25 50 O 0.10248633143878 0.60758559215200 0.39603571376175 15.999 > 25 51 O 0.10248633143878 0.10758559215200 0.89603571376175 15.999 > 25 52 O 0.10248633143878 0.60758559215200 0.89603571376175 15.999 > 25 53 O 0.89751366856122 0.10758559215200 0.10396428623825 15.999 > 29 54 O 0.89751366856122 0.60758559215200 0.10396428623825 15.999 > 29 55 O 0.89751366856122 0.10758559215200 0.60396428623825 15.999 > 29 56 O 0.89751366856122 0.60758559215200 0.60396428623825 15.999 > 29 57 O 0.79746886703987 0.25000000000000 0.33839406278683 15.999 > 33 58 O 0.79746886703987 0.75000000000000 0.33839406278683 15.999 > 33 59 O 0.79746886703987 0.25000000000000 0.83839406278683 15.999 > 33 60 O 0.79746886703987 0.75000000000000 0.83839406278683 15.999 > 33 61 O 0.20253113296013 0.25000000000000 0.16160593721317 15.999 > 37 62 O 0.20253113296013 0.75000000000000 0.16160593721317 15.999 > 37 63 O 0.20253113296013 0.25000000000000 0.66160593721317 15.999 > 37 64 O 0.20253113296013 0.75000000000000 0.66160593721317 15.999 > 37 65 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 69 78 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 69 79 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 69 80 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 69 81 Ba 0.16656448529653 0.00000000000000 0.12076335244985 137.327 > 81 82 Ba 0.16656448529653 0.50000000000000 0.12076335244985 137.327 > 81 83 Ba 0.16656448529653 0.00000000000000 0.62076335244985 137.327 > 81 84 Ba 0.16656448529653 0.50000000000000 0.62076335244985 137.327 > 81 85 Ba 0.83343551470347 0.00000000000000 0.37923664755015 137.327 > 85 86 Ba 0.83343551470347 0.50000000000000 0.37923664755015 137.327 > 85 87 Ba 0.83343551470347 0.00000000000000 0.87923664755015 137.327 > 85 88 Ba 0.83343551470347 0.50000000000000 0.87923664755015 137.327 > 85 89 Ba 0.66656448529653 0.25000000000000 0.12076335244985 137.327 > 81 90 Ba 0.66656448529653 0.75000000000000 0.12076335244985 137.327 > 81 91 Ba 0.66656448529653 0.25000000000000 0.62076335244985 137.327 > 81 92 Ba 0.66656448529653 0.75000000000000 0.62076335244985 137.327 > 81 93 Ba 0.33343551470347 0.25000000000000 0.37923664755015 137.327 > 85 94 Ba 0.33343551470347 0.75000000000000 0.37923664755015 137.327 > 85 95 Ba 0.33343551470347 0.25000000000000 0.87923664755015 137.327 > 85 96 Ba 0.33343551470347 0.75000000000000 0.87923664755015 137.327 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2007359 0.0000000 -0.0715185 0.0000000 3.2447218 0.0000000 -0.0715194 0.0000000 3.0715729 -------------------------- Born effective charges -------------------------- 1 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 2 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 3 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 4 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 5 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 6 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 7 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 8 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 9 Na 1.2430477 0.0000000 0.0362931 0.0000000 1.1480644 0.0000000 0.0105821 0.0000000 1.0992355 10 Na 1.1808534 0.0000000 0.0241615 0.0000000 1.2354538 0.0000000 0.0160061 0.0000000 1.0415972 11 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 12 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 69, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 81, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 2026-01-07 21:55:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:55:22]------------------------- 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): [1 2 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.784644175666551 -2.780444929999999 0.000000000000000 b 4.784644175666551 2.780444929999999 0.000000000000000 c -1.008015251521947 0.000000000000000 6.071875005114409 Atomic positions (fractional): 1 B 0.16771222059556 0.16771222059556 0.75169022737394 10.811 2 B 0.83228777940444 0.83228777940444 0.24830977262606 10.811 3 O 0.11268485286522 0.68234248425723 0.20792857247649 15.999 4 O 0.31765751574277 0.88731514713478 0.79207142752351 15.999 5 O 0.88731514713478 0.31765751574277 0.79207142752351 15.999 6 O 0.68234248425723 0.11268485286522 0.20792857247649 15.999 7 O 0.29746886703987 0.29746886703987 0.67678812557366 15.999 8 O 0.70253113296013 0.70253113296013 0.32321187442634 15.999 9 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 11 Ba 0.16656448529653 0.16656448529653 0.24152670489969 137.327 12 Ba 0.83343551470347 0.83343551470347 0.75847329510031 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.569288351333102 0.000000000000000 0.000000000000000 b 0.000000000000000 11.121779719999997 0.000000000000000 c -2.016030503043894 0.000000000000000 12.143750010228818 Atomic positions (fractional): 1 B 0.16771222059556 0.00000000000000 0.37584511368697 10.811 > 1 2 B 0.16771222059556 0.50000000000000 0.37584511368697 10.811 > 1 3 B 0.16771222059556 0.00000000000000 0.87584511368697 10.811 > 1 4 B 0.16771222059556 0.50000000000000 0.87584511368697 10.811 > 1 5 B 0.83228777940444 0.00000000000000 0.12415488631303 10.811 > 5 6 B 0.83228777940444 0.50000000000000 0.12415488631303 10.811 > 5 7 B 0.83228777940444 0.00000000000000 0.62415488631303 10.811 > 5 8 B 0.83228777940444 0.50000000000000 0.62415488631303 10.811 > 5 9 B 0.66771222059556 0.25000000000000 0.37584511368697 10.811 > 1 10 B 0.66771222059556 0.75000000000000 0.37584511368697 10.811 > 1 11 B 0.66771222059556 0.25000000000000 0.87584511368697 10.811 > 1 12 B 0.66771222059556 0.75000000000000 0.87584511368697 10.811 > 1 13 B 0.33228777940444 0.25000000000000 0.12415488631303 10.811 > 5 14 B 0.33228777940444 0.75000000000000 0.12415488631303 10.811 > 5 15 B 0.33228777940444 0.25000000000000 0.62415488631303 10.811 > 5 16 B 0.33228777940444 0.75000000000000 0.62415488631303 10.811 > 5 17 O 0.39751366856122 0.14241440784800 0.10396428623825 15.999 > 17 18 O 0.39751366856122 0.64241440784800 0.10396428623825 15.999 > 17 19 O 0.39751366856122 0.14241440784800 0.60396428623825 15.999 > 17 20 O 0.39751366856122 0.64241440784800 0.60396428623825 15.999 > 17 21 O 0.60248633143878 0.14241440784800 0.39603571376175 15.999 > 21 22 O 0.60248633143878 0.64241440784800 0.39603571376175 15.999 > 21 23 O 0.60248633143878 0.14241440784800 0.89603571376175 15.999 > 21 24 O 0.60248633143878 0.64241440784800 0.89603571376175 15.999 > 21 25 O 0.60248633143878 0.35758559215200 0.39603571376175 15.999 > 25 26 O 0.60248633143878 0.85758559215200 0.39603571376175 15.999 > 25 27 O 0.60248633143878 0.35758559215200 0.89603571376175 15.999 > 25 28 O 0.60248633143878 0.85758559215200 0.89603571376175 15.999 > 25 29 O 0.39751366856122 0.35758559215200 0.10396428623825 15.999 > 29 30 O 0.39751366856122 0.85758559215200 0.10396428623825 15.999 > 29 31 O 0.39751366856122 0.35758559215200 0.60396428623825 15.999 > 29 32 O 0.39751366856122 0.85758559215200 0.60396428623825 15.999 > 29 33 O 0.29746886703987 0.00000000000000 0.33839406278683 15.999 > 33 34 O 0.29746886703987 0.50000000000000 0.33839406278683 15.999 > 33 35 O 0.29746886703987 0.00000000000000 0.83839406278683 15.999 > 33 36 O 0.29746886703987 0.50000000000000 0.83839406278683 15.999 > 33 37 O 0.70253113296013 0.00000000000000 0.16160593721317 15.999 > 37 38 O 0.70253113296013 0.50000000000000 0.16160593721317 15.999 > 37 39 O 0.70253113296013 0.00000000000000 0.66160593721317 15.999 > 37 40 O 0.70253113296013 0.50000000000000 0.66160593721317 15.999 > 37 41 O 0.89751366856122 0.39241440784800 0.10396428623825 15.999 > 17 42 O 0.89751366856122 0.89241440784800 0.10396428623825 15.999 > 17 43 O 0.89751366856122 0.39241440784800 0.60396428623825 15.999 > 17 44 O 0.89751366856122 0.89241440784800 0.60396428623825 15.999 > 17 45 O 0.10248633143878 0.39241440784800 0.39603571376175 15.999 > 21 46 O 0.10248633143878 0.89241440784800 0.39603571376175 15.999 > 21 47 O 0.10248633143878 0.39241440784800 0.89603571376175 15.999 > 21 48 O 0.10248633143878 0.89241440784800 0.89603571376175 15.999 > 21 49 O 0.10248633143878 0.10758559215200 0.39603571376175 15.999 > 25 50 O 0.10248633143878 0.60758559215200 0.39603571376175 15.999 > 25 51 O 0.10248633143878 0.10758559215200 0.89603571376175 15.999 > 25 52 O 0.10248633143878 0.60758559215200 0.89603571376175 15.999 > 25 53 O 0.89751366856122 0.10758559215200 0.10396428623825 15.999 > 29 54 O 0.89751366856122 0.60758559215200 0.10396428623825 15.999 > 29 55 O 0.89751366856122 0.10758559215200 0.60396428623825 15.999 > 29 56 O 0.89751366856122 0.60758559215200 0.60396428623825 15.999 > 29 57 O 0.79746886703987 0.25000000000000 0.33839406278683 15.999 > 33 58 O 0.79746886703987 0.75000000000000 0.33839406278683 15.999 > 33 59 O 0.79746886703987 0.25000000000000 0.83839406278683 15.999 > 33 60 O 0.79746886703987 0.75000000000000 0.83839406278683 15.999 > 33 61 O 0.20253113296013 0.25000000000000 0.16160593721317 15.999 > 37 62 O 0.20253113296013 0.75000000000000 0.16160593721317 15.999 > 37 63 O 0.20253113296013 0.25000000000000 0.66160593721317 15.999 > 37 64 O 0.20253113296013 0.75000000000000 0.66160593721317 15.999 > 37 65 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 67 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 65 69 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 69 70 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 69 71 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 69 72 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 69 73 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 74 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 75 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 76 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 69 78 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 69 79 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 69 80 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 69 81 Ba 0.16656448529653 0.00000000000000 0.12076335244985 137.327 > 81 82 Ba 0.16656448529653 0.50000000000000 0.12076335244985 137.327 > 81 83 Ba 0.16656448529653 0.00000000000000 0.62076335244985 137.327 > 81 84 Ba 0.16656448529653 0.50000000000000 0.62076335244985 137.327 > 81 85 Ba 0.83343551470347 0.00000000000000 0.37923664755015 137.327 > 85 86 Ba 0.83343551470347 0.50000000000000 0.37923664755015 137.327 > 85 87 Ba 0.83343551470347 0.00000000000000 0.87923664755015 137.327 > 85 88 Ba 0.83343551470347 0.50000000000000 0.87923664755015 137.327 > 85 89 Ba 0.66656448529653 0.25000000000000 0.12076335244985 137.327 > 81 90 Ba 0.66656448529653 0.75000000000000 0.12076335244985 137.327 > 81 91 Ba 0.66656448529653 0.25000000000000 0.62076335244985 137.327 > 81 92 Ba 0.66656448529653 0.75000000000000 0.62076335244985 137.327 > 81 93 Ba 0.33343551470347 0.25000000000000 0.37923664755015 137.327 > 85 94 Ba 0.33343551470347 0.75000000000000 0.37923664755015 137.327 > 85 95 Ba 0.33343551470347 0.25000000000000 0.87923664755015 137.327 > 85 96 Ba 0.33343551470347 0.75000000000000 0.87923664755015 137.327 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2007359 0.0000000 -0.0715185 0.0000000 3.2447218 0.0000000 -0.0715194 0.0000000 3.0715729 -------------------------- Born effective charges -------------------------- 1 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 2 B 2.0082656 0.0000000 -0.6896855 0.0000000 2.1789088 0.0000000 -0.9158143 0.0000000 0.5418638 3 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 4 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 5 O -1.9254705 0.1029850 0.1327084 0.0773659 -2.1171984 -0.1115123 0.1874961 -0.0972083 -1.3040501 6 O -1.9254705 -0.1029850 0.1327084 -0.0773659 -2.1171984 0.1115123 0.1874961 0.0972083 -1.3040501 7 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 8 O -2.0386335 0.0000000 0.3280270 0.0000000 -1.7777447 0.0000000 0.3976338 0.0000000 -1.5615368 9 Na 1.2430477 0.0000000 0.0362931 0.0000000 1.1480644 0.0000000 0.0105821 0.0000000 1.0992355 10 Na 1.1808534 0.0000000 0.0241615 0.0000000 1.2354538 0.0000000 0.0160061 0.0000000 1.0415972 11 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 12 Ba 2.6693583 0.0000000 0.0660145 0.0000000 2.6414737 0.0000000 0.1298942 0.0000000 2.5573568 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 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 2.452 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.300 ( 0.000 0.000 0.000) 0.000 6.519 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 16.826 ( 0.000 0.000 0.000) 0.000 16.876 ( 0.000 0.000 0.000) 0.000 22.596 ( 0.000 0.000 0.000) 0.000 22.705 ( 0.000 0.000 0.000) 0.000 26.640 ( 0.000 0.000 0.000) 0.000 26.671 ( 0.000 0.000 0.000) 0.000 36.105 ( 0.000 0.000 0.000) 0.000 36.214 ( 0.000 0.000 0.000) 0.000 36.364 ( 0.000 0.000 0.000) 0.000 36.378 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 19.978 -4.991 19.661) 28.471 0.740 ( 17.861 -29.176 2.700) 34.316 1.203 ( 24.288 -50.706 -3.295) 56.319 2.484 ( 2.740 -1.324 -0.317) 3.060 2.619 ( 2.867 -5.796 1.292) 6.594 3.197 ( -1.281 1.952 -3.129) 3.904 3.477 ( -0.983 5.772 0.528) 5.879 4.005 ( -10.309 -12.151 -11.407) 19.597 4.405 ( 8.904 -6.913 9.022) 14.438 4.734 ( -5.347 -4.464 -6.895) 9.801 4.936 ( 1.492 -0.519 -1.393) 2.106 5.052 ( 11.151 8.804 19.768) 24.344 5.435 ( 0.200 -9.696 0.964) 9.746 5.626 ( 5.888 3.669 3.235) 7.655 5.796 ( -9.537 -6.418 11.976) 16.601 6.010 ( 8.360 -1.801 -2.903) 9.031 6.138 ( 5.819 -6.012 0.492) 8.381 6.279 ( -5.485 -2.431 -2.028) 6.333 6.365 ( -6.048 -7.247 -0.274) 9.443 6.656 ( 8.247 1.122 7.331) 11.091 7.208 ( 8.364 2.791 -2.746) 9.235 7.386 ( 0.479 1.942 -0.069) 2.001 7.905 ( -1.844 4.354 2.582) 5.387 9.790 ( -6.758 8.565 -3.360) 11.416 16.514 ( -4.550 -4.425 -0.239) 6.352 16.602 ( -6.030 -8.411 0.656) 10.370 16.845 ( 2.717 3.243 -0.706) 4.289 17.028 ( 14.868 1.884 -4.405) 15.621 22.614 ( 1.555 1.426 5.890) 6.256 22.704 ( -0.018 0.087 -0.155) 0.179 26.619 ( -1.227 1.445 0.191) 1.906 26.665 ( 0.488 0.977 -1.191) 1.616 36.130 ( 1.400 -1.251 -1.417) 2.353 36.204 ( 0.078 0.309 1.417) 1.452 36.376 ( 1.506 0.031 -0.017) 1.507 38.325 ( -9.731 -8.714 -47.430) 49.196 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 18.378 -9.295 16.924) 26.657 1.410 ( 14.000 -25.886 2.257) 29.516 2.269 ( 19.953 -41.144 -4.781) 45.976 2.525 ( 2.935 0.564 -2.189) 3.705 2.757 ( 3.105 -3.220 3.389) 5.612 3.134 ( -2.376 1.130 -5.088) 5.729 3.379 ( -1.111 2.827 0.045) 3.037 4.103 ( -9.990 -12.845 -11.840) 20.125 4.664 ( 3.826 -8.774 9.812) 13.708 4.778 ( 4.498 -4.027 -3.487) 6.972 4.981 ( 1.807 -0.531 4.473) 4.853 5.074 ( 7.833 0.276 7.679) 10.972 5.621 ( 6.114 -1.279 -1.137) 6.349 5.667 ( 4.091 -7.146 4.558) 9.411 5.816 ( -0.801 -0.558 3.274) 3.417 6.132 ( 2.881 -3.815 -2.360) 5.331 6.220 ( -6.562 -2.960 -2.424) 7.596 6.419 ( 8.812 -11.228 1.893) 14.398 6.509 ( 3.548 -11.545 -1.645) 12.190 6.758 ( 6.414 -3.006 -2.742) 7.596 7.252 ( 5.295 0.103 -0.029) 5.296 7.353 ( 1.894 2.843 0.360) 3.435 7.772 ( -3.804 7.622 4.667) 9.713 9.462 ( -13.992 15.214 1.773) 20.746 16.561 ( -4.248 -5.525 -0.211) 6.972 16.700 ( -0.012 -5.052 -0.012) 5.052 16.839 ( 3.065 0.258 -0.045) 3.076 17.163 ( 9.995 -2.935 -2.796) 10.786 22.615 ( 0.824 0.684 2.723) 2.926 22.701 ( -0.008 0.116 -0.240) 0.267 26.570 ( -1.520 2.162 0.159) 2.648 26.642 ( 0.268 1.683 -1.679) 2.392 36.123 ( 1.858 3.112 -1.965) 4.123 36.258 ( 1.900 -4.011 2.096) 4.908 36.393 ( 0.596 -0.762 0.081) 0.971 38.287 ( -7.227 -3.551 -20.472) 21.999 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 16.250 -12.260 14.017) 24.715 1.955 ( 9.419 -20.161 1.929) 22.336 2.496 ( 0.371 4.405 -3.105) 5.402 2.754 ( -1.411 3.947 0.623) 4.238 2.942 ( 2.216 -12.654 -8.020) 15.145 3.186 ( 7.316 -10.041 -5.493) 13.584 3.379 ( 2.186 -4.079 4.407) 6.391 4.231 ( -6.154 -12.944 -9.444) 17.164 4.757 ( -2.233 -2.922 3.332) 4.963 4.948 ( 4.186 -0.138 4.095) 5.857 5.010 ( 2.877 -4.629 7.508) 9.278 5.248 ( 8.993 -6.652 3.908) 11.849 5.652 ( 8.256 3.806 0.137) 9.093 5.816 ( 0.247 0.460 -0.245) 0.577 5.928 ( 9.401 -9.803 -3.060) 13.923 6.149 ( -2.548 -0.773 -3.456) 4.362 6.271 ( -1.979 -9.186 0.273) 9.401 6.729 ( 7.969 -11.854 0.808) 14.306 6.772 ( 4.714 -6.451 -0.796) 8.029 6.918 ( 6.323 -12.416 -4.785) 14.732 7.307 ( 4.000 -0.311 -0.227) 4.019 7.331 ( 3.283 3.091 2.899) 5.360 7.587 ( -5.701 7.375 4.192) 10.221 8.977 ( -17.814 20.193 3.778) 27.191 16.611 ( -3.307 -4.371 -0.199) 5.484 16.759 ( 0.814 -1.201 -0.354) 1.494 16.905 ( 3.348 -3.266 0.576) 4.713 17.320 ( 7.352 -4.424 -2.166) 8.850 22.616 ( 0.505 0.402 1.482) 1.617 22.699 ( 0.021 0.086 -0.222) 0.239 26.517 ( -1.281 2.020 0.111) 2.395 26.608 ( 0.010 1.776 -1.574) 2.373 36.078 ( 1.737 3.291 -1.330) 3.952 36.345 ( 5.308 0.138 1.576) 5.539 36.429 ( -2.677 -5.063 0.002) 5.727 38.236 ( -5.872 -1.522 -10.345) 11.993 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 12.852 -12.026 10.545) 20.518 2.281 ( -0.286 -2.744 -2.399) 3.656 2.388 ( -0.946 -0.739 -0.220) 1.221 2.677 ( 1.631 2.681 -1.390) 3.432 2.962 ( -3.952 0.180 -3.913) 5.564 3.291 ( 0.326 -0.086 -3.362) 3.379 3.657 ( 7.457 -10.799 1.582) 13.219 4.390 ( -2.420 -10.280 -6.610) 12.459 4.768 ( -1.973 -0.056 3.179) 3.742 4.929 ( 1.195 2.681 3.637) 4.673 5.153 ( 0.126 -5.282 5.215) 7.424 5.457 ( 7.474 -5.307 4.227) 10.094 5.660 ( 7.515 4.682 -0.005) 8.854 5.794 ( -4.922 -0.477 -2.795) 5.680 6.033 ( 3.658 1.576 -8.243) 9.155 6.223 ( -0.129 -5.744 1.212) 5.872 6.551 ( 11.450 -14.506 0.702) 18.494 6.836 ( 0.618 -1.034 -2.841) 3.086 6.979 ( 4.715 -7.604 0.437) 8.958 7.244 ( 8.727 -2.883 -1.335) 9.287 7.277 ( 0.100 1.279 6.111) 6.244 7.370 ( 0.749 -7.696 0.162) 7.734 7.461 ( -3.678 -0.779 -2.394) 4.457 8.399 ( -17.553 23.395 4.461) 29.586 16.647 ( -1.671 -2.479 -0.208) 2.997 16.772 ( 0.352 0.139 -0.063) 0.384 16.996 ( 2.259 -2.699 0.383) 3.540 17.449 ( 3.982 -3.130 -1.231) 5.212 22.616 ( 0.245 0.199 0.673) 0.743 22.698 ( 0.030 0.038 -0.126) 0.135 26.477 ( -0.716 1.178 0.060) 1.380 26.578 ( -0.080 1.152 -0.940) 1.489 36.043 ( 1.088 2.007 -0.718) 2.394 36.370 ( 3.206 1.494 0.684) 3.602 36.503 ( -1.537 -4.511 0.193) 4.770 38.190 ( -3.453 -0.483 -4.469) 5.668 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 -0.000 0.000) 0.000 2.170 ( 0.000 -0.000 0.000) 0.000 2.457 ( 0.000 -0.000 0.000) 0.000 2.683 ( 0.000 -0.000 0.000) 0.000 2.924 ( 0.000 -0.000 -0.000) 0.000 3.283 ( 0.000 -0.000 0.000) 0.000 3.797 ( 0.000 -0.000 0.000) 0.000 4.478 ( 0.000 -0.000 -0.000) 0.000 4.749 ( 0.000 -0.000 0.000) 0.000 4.914 ( 0.000 -0.000 0.000) 0.000 5.206 ( 0.000 -0.000 0.000) 0.000 5.580 ( 0.000 -0.000 0.000) 0.000 5.636 ( 0.000 0.000 -0.000) 0.000 5.750 ( 0.000 -0.000 0.000) 0.000 6.032 ( 0.000 -0.000 -0.000) 0.000 6.277 ( 0.000 -0.000 -0.000) 0.000 6.822 ( 0.000 -0.000 0.000) 0.000 6.823 ( 0.000 -0.000 -0.000) 0.000 7.078 ( 0.000 -0.000 0.000) 0.000 7.199 ( 0.000 -0.000 -0.000) 0.000 7.279 ( -0.000 -0.000 0.000) 0.000 7.431 ( 0.000 -0.000 -0.000) 0.000 7.728 ( 0.000 -0.000 -0.000) 0.000 7.892 ( -0.000 0.000 0.000) 0.000 16.661 ( 0.000 -0.000 0.000) 0.000 16.771 ( 0.000 -0.000 0.000) 0.000 17.034 ( 0.000 -0.000 0.000) 0.000 17.498 ( 0.000 -0.000 0.000) 0.000 22.616 ( 0.000 -0.000 0.000) 0.000 22.698 ( 0.000 -0.000 0.000) 0.000 26.462 ( 0.000 -0.000 0.000) 0.000 26.566 ( 0.000 -0.000 -0.000) 0.000 36.029 ( 0.000 -0.000 -0.000) 0.000 36.373 ( 0.000 -0.000 -0.000) 0.000 36.538 ( 0.000 -0.000 -0.000) 0.000 38.172 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 22.147 0.000 15.018) 26.759 0.669 ( 32.353 0.000 -4.723) 32.696 1.198 ( 55.002 0.000 3.993) 55.146 2.556 ( 7.839 0.000 3.290) 8.501 2.594 ( 4.258 0.000 0.987) 4.371 3.207 ( -0.441 -0.000 -6.139) 6.155 3.560 ( 0.613 0.000 1.980) 2.073 3.707 ( -14.201 -0.000 -15.710) 21.178 4.450 ( 10.113 0.000 8.392) 13.142 4.650 ( 2.671 0.000 -0.709) 2.763 4.944 ( 0.542 0.000 1.028) 1.162 5.333 ( -0.844 -0.000 4.647) 4.723 5.388 ( 1.891 0.000 -2.889) 3.453 5.467 ( -8.839 -0.000 37.331) 38.363 5.748 ( 9.028 0.000 -0.843) 9.067 6.086 ( -4.399 -0.000 -2.440) 5.030 6.119 ( 6.657 0.000 2.432) 7.087 6.218 ( 12.289 0.000 -0.988) 12.329 6.328 ( 2.613 0.000 3.518) 4.382 6.723 ( 0.214 0.000 10.583) 10.585 7.341 ( 1.088 0.000 0.195) 1.105 7.407 ( 0.687 0.000 0.148) 0.703 7.916 ( -3.971 -0.000 4.389) 5.918 9.825 ( -7.615 -0.000 -6.831) 10.230 16.382 ( -0.092 -0.000 -0.136) 0.164 16.513 ( 0.985 0.000 0.346) 1.044 16.930 ( 5.387 0.000 -2.517) 5.946 17.189 ( 4.704 0.000 -7.578) 8.920 22.667 ( -1.782 -0.000 10.962) 11.106 22.705 ( -0.058 -0.000 0.542) 0.545 26.615 ( -1.920 -0.000 0.037) 1.920 26.676 ( 0.326 0.000 -1.691) 1.722 36.050 ( -4.269 -0.000 -2.647) 5.024 36.268 ( 4.783 0.000 1.747) 5.092 36.399 ( 1.168 0.000 2.794) 3.028 37.999 ( 14.738 0.000 -92.809) 93.972 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 20.808 -3.291 15.095) 25.916 1.219 ( 24.702 -19.120 -0.687) 31.245 1.968 ( 41.777 -22.591 0.827) 47.502 2.612 ( 7.548 2.284 0.044) 7.886 2.719 ( 5.252 -5.766 2.943) 8.337 3.154 ( -0.654 3.660 -7.613) 8.472 3.408 ( -5.983 4.797 -5.183) 9.256 3.760 ( -6.809 -12.593 -8.476) 16.637 4.614 ( 7.502 -4.644 7.253) 11.421 4.733 ( 4.028 -4.936 -2.911) 7.004 4.973 ( 1.784 -2.057 3.116) 4.138 5.229 ( 3.762 6.596 9.397) 12.082 5.444 ( -0.425 -9.621 4.042) 10.445 5.651 ( -5.994 -10.040 11.441) 16.360 5.836 ( 11.701 1.289 -4.638) 12.653 6.037 ( -6.214 -2.130 -3.850) 7.614 6.229 ( 8.165 0.199 -0.253) 8.171 6.380 ( 4.966 -3.822 2.230) 6.651 6.420 ( 14.631 -5.763 0.208) 15.726 6.760 ( 2.675 -1.774 0.126) 3.212 7.333 ( 4.038 1.899 0.705) 4.518 7.410 ( 2.105 1.200 -0.649) 2.508 7.846 ( -5.400 3.638 6.437) 9.156 9.570 ( -13.615 13.385 1.656) 19.165 16.435 ( -1.667 -4.710 -0.305) 5.005 16.587 ( 0.885 -6.227 0.500) 6.310 16.946 ( 7.237 4.273 -2.806) 8.860 17.225 ( 7.209 -0.090 -3.474) 8.003 22.650 ( -0.003 1.462 5.082) 5.289 22.703 ( 0.064 0.150 0.183) 0.245 26.583 ( -1.946 1.201 -0.188) 2.295 26.664 ( -0.132 1.035 -2.000) 2.256 36.082 ( -5.284 -8.068 -2.066) 9.863 36.259 ( 5.306 5.493 0.431) 7.649 36.439 ( 3.131 -0.363 3.652) 4.824 38.069 ( 0.417 -6.816 -43.461) 43.994 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 18.794 -6.632 13.340) 23.982 1.775 ( 18.668 -16.794 0.652) 25.119 2.562 ( 2.916 -0.219 0.484) 2.964 2.739 ( 14.226 -9.137 -8.727) 19.027 2.832 ( 6.234 -2.355 2.218) 7.023 3.114 ( 4.949 -3.774 -3.574) 7.177 3.329 ( -2.975 -1.728 -4.146) 5.387 3.923 ( -3.607 -13.263 -6.642) 15.266 4.741 ( 4.763 -1.489 4.840) 6.952 4.904 ( 5.150 -7.674 -0.901) 9.286 5.028 ( 0.738 -0.016 5.190) 5.242 5.263 ( 7.549 -2.158 7.255) 10.690 5.710 ( 3.588 -17.297 2.047) 17.783 5.734 ( -3.674 -3.972 6.795) 8.686 5.898 ( 10.897 3.931 -9.440) 14.943 6.055 ( -5.472 -7.795 -0.161) 9.526 6.230 ( 6.387 5.224 -2.862) 8.733 6.617 ( 9.386 -10.675 1.232) 14.268 6.699 ( 11.843 -8.648 0.549) 14.674 6.829 ( 2.344 -3.248 -4.655) 6.141 7.359 ( 4.501 0.966 2.253) 5.125 7.411 ( 3.230 1.569 -0.869) 3.694 7.696 ( -4.966 7.849 5.918) 11.013 9.113 ( -19.687 17.942 5.611) 27.221 16.506 ( -0.954 -4.844 -0.265) 4.944 16.715 ( 0.992 -5.699 0.239) 5.790 16.948 ( 7.060 2.871 -1.468) 7.762 17.320 ( 6.094 -2.645 -2.455) 7.082 22.637 ( 0.290 0.967 2.405) 2.608 22.702 ( 0.162 0.173 0.072) 0.248 26.536 ( -1.576 1.739 -0.247) 2.359 26.633 ( -0.563 1.580 -1.942) 2.566 36.192 ( -0.135 -5.378 -3.839) 6.609 36.214 ( 0.732 0.953 1.203) 1.701 36.468 ( 4.031 2.176 4.104) 6.151 38.089 ( -4.238 -4.424 -20.683) 21.571 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 15.923 -8.592 9.719) 20.538 2.186 ( 10.019 -10.324 -0.152) 14.387 2.447 ( -3.834 7.307 -4.035) 9.185 2.744 ( 2.422 2.782 -5.305) 6.461 2.945 ( 0.654 -0.000 2.163) 2.260 3.265 ( 0.047 -1.538 -7.578) 7.733 3.503 ( 7.846 -13.507 1.182) 15.665 4.138 ( -0.684 -13.764 -4.761) 14.580 4.808 ( 6.189 1.117 3.212) 7.062 5.013 ( 0.988 2.776 6.896) 7.499 5.066 ( 1.545 -5.825 3.075) 6.766 5.425 ( 5.480 -5.251 3.851) 8.510 5.722 ( -6.445 -0.382 -3.520) 7.354 5.859 ( 8.875 5.084 -3.478) 10.804 6.117 ( 1.163 -1.863 3.216) 3.894 6.149 ( 12.541 -4.732 -6.212) 14.773 6.340 ( 7.873 -19.163 0.087) 20.717 6.825 ( 1.893 -1.424 -2.969) 3.798 6.907 ( 7.287 -7.573 0.990) 10.556 7.027 ( 5.119 -14.427 -3.015) 15.603 7.364 ( -0.506 3.164 5.523) 6.386 7.413 ( 2.626 2.155 0.816) 3.494 7.507 ( -0.634 8.732 0.030) 8.755 8.563 ( -22.566 18.925 7.007) 30.274 16.584 ( 0.390 -3.974 -0.218) 3.999 16.789 ( 1.755 -0.943 -0.064) 1.993 16.991 ( 4.627 -0.562 -0.061) 4.661 17.420 ( 3.064 -3.199 -2.005) 4.862 22.628 ( 0.177 0.649 1.090) 1.280 22.701 ( 0.212 0.177 0.092) 0.291 26.493 ( -0.921 1.485 -0.240) 1.764 26.594 ( -0.824 1.406 -1.390) 2.142 36.152 ( 5.427 6.039 -2.175) 8.406 36.339 ( -3.788 -10.039 -0.980) 10.774 36.458 ( 2.899 3.715 3.940) 6.142 38.088 ( -4.532 -3.974 -9.735) 11.450 ======================= Grid point 16 (11/227) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.009 -2.719 1.270) 8.553 2.176 ( -5.405 4.047 -3.418) 7.567 2.461 ( 5.988 -3.103 1.777) 6.974 2.721 ( 1.899 3.137 -4.646) 5.919 2.954 ( 3.386 0.354 4.896) 5.963 3.259 ( -1.613 -1.105 -5.254) 5.606 3.722 ( -1.434 -5.951 -0.120) 6.123 4.363 ( 0.971 -11.061 -2.384) 11.356 4.828 ( 4.928 3.933 2.589) 6.816 4.992 ( 4.306 3.702 6.525) 8.650 5.169 ( 0.777 -3.909 3.134) 5.071 5.529 ( -3.321 -2.871 -2.263) 4.939 5.612 ( -4.489 2.804 -6.925) 8.717 5.872 ( 9.225 3.881 1.806) 10.170 6.094 ( 2.773 4.259 1.125) 5.205 6.303 ( 8.341 -1.319 -2.904) 8.930 6.793 ( 7.246 -8.678 -0.810) 11.335 6.836 ( 2.006 -0.024 -1.597) 2.564 7.066 ( 2.917 -3.916 1.239) 5.037 7.237 ( -4.687 6.005 4.668) 8.934 7.341 ( 0.049 1.231 -2.281) 2.592 7.415 ( 6.116 -19.608 -2.658) 20.711 7.433 ( 0.018 0.954 -0.185) 0.972 8.031 ( -18.267 15.921 6.558) 25.103 16.652 ( 1.977 -2.228 -0.176) 2.984 16.802 ( 2.223 1.346 0.213) 2.607 17.036 ( 1.502 -0.249 0.110) 1.526 17.475 ( -0.846 -1.540 -1.130) 2.089 22.620 ( 0.007 0.424 0.312) 0.527 22.700 ( 0.185 0.167 0.134) 0.283 26.467 ( -0.172 0.624 -0.256) 0.696 26.565 ( -0.834 0.525 -0.512) 1.110 36.100 ( 4.590 5.000 -2.029) 7.084 36.412 ( 0.197 3.645 3.529) 5.077 36.463 ( -2.070 -6.770 -1.261) 7.190 38.113 ( -2.456 -4.305 -3.463) 6.046 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -8.138 13.790 -9.974) 18.864 2.239 ( 4.027 -7.239 3.919) 9.164 2.531 ( 5.650 6.171 -0.302) 8.372 2.634 ( -1.933 1.079 -2.236) 3.146 3.023 ( 5.987 -0.443 7.397) 9.526 3.269 ( -0.743 -1.889 -2.813) 3.469 3.692 ( -8.430 3.081 -1.170) 9.052 4.515 ( 2.805 -2.570 2.785) 4.714 4.806 ( 2.883 2.159 0.847) 3.700 4.979 ( 6.186 5.317 3.511) 8.880 5.220 ( 2.042 1.384 -1.641) 2.963 5.395 ( -12.110 2.185 -9.510) 15.551 5.594 ( 0.218 0.247 0.479) 0.582 5.890 ( 5.507 4.289 -0.361) 6.990 6.036 ( -1.416 3.094 5.406) 6.388 6.350 ( 6.957 4.820 -1.434) 8.584 6.671 ( -9.249 11.610 0.903) 14.871 6.859 ( -0.575 1.577 2.737) 3.211 7.081 ( -0.650 6.475 -1.014) 6.586 7.134 ( -3.201 -0.949 -0.919) 3.463 7.294 ( 0.131 1.720 -3.712) 4.093 7.418 ( -1.109 0.449 -0.523) 1.306 7.626 ( -5.306 10.508 5.612) 13.041 8.047 ( 9.495 -30.326 -2.459) 31.873 16.702 ( 3.663 0.039 -0.095) 3.664 16.797 ( 2.221 1.694 0.339) 2.814 17.020 ( -1.196 2.138 -0.188) 2.457 17.446 ( -4.673 1.597 0.025) 4.938 22.614 ( -0.156 0.245 -0.217) 0.363 22.699 ( 0.115 0.125 0.174) 0.243 26.467 ( 0.458 -0.525 -0.285) 0.753 26.559 ( -0.645 -0.693 0.362) 1.014 36.066 ( 3.638 3.059 -1.459) 4.973 36.347 ( -2.904 2.437 2.354) 4.462 36.528 ( -0.602 -2.128 -0.920) 2.396 38.180 ( 0.558 -4.351 0.571) 4.423 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -10.943 17.017 -10.709) 22.892 2.263 ( -0.628 18.175 -1.595) 18.256 2.422 ( 0.952 -4.667 2.603) 5.428 2.708 ( 3.579 -3.643 -0.922) 5.190 3.098 ( 5.943 1.283 8.189) 10.199 3.270 ( -2.484 2.029 3.857) 5.016 3.448 ( -9.547 10.973 -6.438) 15.906 4.518 ( 7.054 7.971 9.065) 13.981 4.824 ( 0.920 -1.193 -3.222) 3.557 4.935 ( 3.012 5.540 1.621) 6.511 5.086 ( -4.455 9.158 -13.482) 16.896 5.259 ( -6.271 3.302 0.327) 7.094 5.569 ( -2.504 1.256 0.501) 2.846 5.821 ( -1.079 3.596 -1.906) 4.211 5.958 ( -6.456 3.916 4.763) 8.928 6.262 ( 1.474 7.731 2.389) 8.225 6.441 ( 2.938 7.189 0.059) 7.766 6.785 ( -6.759 3.856 3.244) 8.431 6.894 ( -1.900 10.545 -1.271) 10.790 7.069 ( -7.023 7.964 0.630) 10.637 7.240 ( -0.996 -0.751 -4.030) 4.219 7.339 ( -1.599 4.739 1.201) 5.144 7.554 ( 3.775 -1.609 -0.859) 4.193 8.689 ( 10.421 -28.086 -1.931) 30.019 16.726 ( 5.475 2.585 -0.079) 6.055 16.788 ( 1.542 1.781 0.306) 2.376 16.942 ( -2.568 3.853 -0.517) 4.659 17.325 ( -7.478 4.517 1.041) 8.798 22.607 ( -0.288 0.116 -0.589) 0.666 22.699 ( 0.057 0.037 0.188) 0.200 26.493 ( 0.813 -1.674 -0.287) 1.883 26.576 ( -0.440 -1.642 0.895) 1.921 36.064 ( 3.094 0.813 -0.596) 3.254 36.276 ( -5.571 0.721 1.017) 5.709 36.525 ( 0.706 2.215 -0.464) 2.371 38.275 ( 2.870 -3.582 3.405) 5.715 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -9.910 17.419 -9.176) 22.041 1.819 ( -2.913 27.359 -1.249) 27.542 2.504 ( 0.372 -1.964 2.454) 3.165 2.763 ( 0.456 0.889 -2.257) 2.468 2.850 ( -5.585 32.035 4.682) 32.853 3.169 ( 1.781 1.373 2.785) 3.579 3.329 ( -1.346 -2.307 -2.791) 3.863 4.452 ( 10.825 11.070 11.012) 19.000 4.754 ( -10.465 9.227 -10.016) 17.175 4.835 ( 2.086 2.707 2.529) 4.251 4.923 ( -0.708 1.720 -8.594) 8.793 5.090 ( -4.849 7.540 1.086) 9.030 5.526 ( -3.445 -0.574 0.772) 3.577 5.780 ( -2.576 1.356 -1.299) 3.188 5.803 ( -1.930 4.720 -0.287) 5.108 6.188 ( 0.235 3.674 2.900) 4.687 6.391 ( 7.891 6.351 -0.373) 10.136 6.563 ( -7.538 10.894 -0.303) 13.251 6.697 ( -1.855 10.369 0.223) 10.536 6.798 ( -5.121 11.023 2.598) 12.429 7.246 ( -1.394 2.970 0.539) 3.325 7.279 ( -1.056 -2.956 -1.493) 3.476 7.669 ( 2.615 -6.563 -2.114) 7.374 9.238 ( 7.022 -22.513 -1.018) 23.605 16.711 ( 4.408 5.510 -0.010) 7.056 16.761 ( 0.671 2.520 0.299) 2.625 16.858 ( -0.326 2.494 -0.887) 2.667 17.148 ( -7.943 5.849 1.479) 9.974 22.601 ( -0.327 0.058 -0.729) 0.801 22.700 ( 0.025 -0.063 0.137) 0.152 26.539 ( 0.742 -2.448 -0.220) 2.567 26.607 ( -0.302 -1.945 0.825) 2.135 36.099 ( 3.397 -0.779 0.435) 3.512 36.210 ( -6.479 -0.332 -0.397) 6.499 36.472 ( 1.112 4.320 0.000) 4.461 38.370 ( 3.272 -2.366 4.891) 6.342 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 15.709 -0.000) 15.709 1.247 ( 0.000 32.992 -0.000) 32.992 2.053 ( 0.000 49.419 -0.000) 49.419 2.515 ( 0.000 1.849 -0.000) 1.849 2.706 ( 0.000 5.051 -0.000) 5.051 3.178 ( -0.000 -0.990 0.000) 0.990 3.388 ( -0.000 -4.475 0.000) 4.475 4.336 ( 0.000 14.005 -0.000) 14.005 4.473 ( 0.000 8.989 -0.000) 8.989 4.853 ( 0.000 1.137 -0.000) 1.137 4.865 ( -0.000 -0.511 0.000) 0.511 4.961 ( 0.000 3.316 -0.000) 3.316 5.532 ( -0.000 -2.436 0.000) 2.436 5.624 ( 0.000 10.117 -0.000) 10.117 5.819 ( -0.000 -2.334 0.000) 2.334 6.092 ( 0.000 7.447 -0.000) 7.447 6.284 ( 0.000 12.743 -0.000) 12.743 6.349 ( 0.000 4.250 -0.000) 4.250 6.551 ( 0.000 5.633 -0.000) 5.633 6.607 ( 0.000 5.745 -0.000) 5.745 7.185 ( 0.000 2.278 -0.000) 2.278 7.334 ( -0.000 -3.291 0.000) 3.291 7.807 ( -0.000 -6.972 0.000) 6.972 9.622 ( -0.000 -15.580 0.000) 15.580 16.623 ( 0.000 5.945 -0.000) 5.945 16.719 ( 0.000 2.422 -0.000) 2.422 16.842 ( 0.000 0.801 -0.000) 0.801 16.987 ( 0.000 5.682 -0.000) 5.682 22.597 ( 0.000 0.068 -0.000) 0.068 22.702 ( -0.000 -0.114 0.000) 0.114 26.589 ( -0.000 -2.431 0.000) 2.431 26.639 ( -0.000 -1.630 0.000) 1.630 36.142 ( 0.000 0.529 -0.000) 0.529 36.172 ( -0.000 -1.710 0.000) 1.710 36.406 ( 0.000 3.340 -0.000) 3.340 38.432 ( -0.000 -1.374 0.000) 1.374 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 20.836 0.000 13.221) 24.677 1.307 ( 29.806 0.000 -4.372) 30.125 2.270 ( 42.712 0.000 6.095) 43.144 2.706 ( 5.270 0.000 1.964) 5.624 2.728 ( 8.257 0.000 -0.486) 8.271 3.188 ( 1.470 0.000 -8.543) 8.668 3.339 ( -14.808 -0.000 -17.187) 22.687 3.584 ( 1.012 0.000 2.623) 2.811 4.672 ( 8.516 0.000 3.974) 9.398 4.717 ( 3.987 0.000 -0.569) 4.027 4.969 ( 1.093 0.000 4.243) 4.382 5.328 ( -0.907 -0.000 3.181) 3.308 5.431 ( 2.309 0.000 0.691) 2.411 5.439 ( -2.460 -0.000 16.443) 16.626 5.919 ( -5.217 -0.000 2.658) 5.855 5.992 ( 10.494 0.000 -13.735) 17.285 6.325 ( 11.628 0.000 2.033) 11.805 6.432 ( 5.762 0.000 3.488) 6.735 6.532 ( 16.396 0.000 -0.540) 16.405 6.764 ( 1.792 0.000 -0.967) 2.036 7.382 ( 2.984 0.000 0.417) 3.013 7.451 ( 4.069 0.000 -1.456) 4.322 7.816 ( -7.587 -0.000 8.768) 11.595 9.565 ( -16.405 -0.000 3.662) 16.809 16.379 ( -0.161 -0.000 -0.061) 0.172 16.542 ( 1.553 0.000 0.402) 1.605 17.070 ( 8.559 0.000 -3.846) 9.383 17.287 ( 6.073 0.000 -3.078) 6.808 22.666 ( -0.757 -0.000 3.681) 3.758 22.708 ( 0.050 0.000 1.372) 1.373 26.573 ( -1.919 -0.000 -0.517) 1.987 26.667 ( -0.659 -0.000 -1.972) 2.079 35.930 ( -5.798 -0.000 -2.997) 6.527 36.413 ( 7.849 0.000 3.050) 8.420 36.432 ( 0.790 0.000 3.236) 3.331 37.978 ( 5.530 0.000 -41.856) 42.220 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 19.515 -1.875 11.672) 22.816 1.725 ( 23.607 -12.092 -2.862) 26.677 2.597 ( 5.451 -0.063 4.542) 7.095 2.823 ( 3.809 -4.699 2.202) 6.437 2.864 ( 20.900 1.840 -6.952) 22.103 3.130 ( 3.625 -0.380 -5.560) 6.648 3.234 ( -3.930 -2.499 -10.864) 11.820 3.690 ( 0.248 -8.956 -0.486) 8.972 4.793 ( 7.707 -3.022 3.101) 8.840 4.818 ( 5.137 -5.567 -1.423) 7.707 5.018 ( 0.987 -2.337 4.536) 5.197 5.336 ( 4.053 0.963 5.147) 6.621 5.437 ( -1.636 -9.093 5.344) 10.674 5.607 ( -1.429 -8.374 6.038) 10.423 5.862 ( -7.789 -3.662 -5.409) 10.166 6.088 ( 13.661 2.492 -6.242) 15.225 6.415 ( 8.900 5.078 0.394) 10.255 6.559 ( 10.343 -6.975 1.788) 12.602 6.729 ( 13.199 -3.368 0.099) 13.622 6.797 ( 1.724 -1.999 -3.476) 4.364 7.417 ( 3.639 0.553 0.831) 3.774 7.486 ( 6.064 1.299 -2.632) 6.737 7.730 ( -7.437 2.450 9.185) 12.069 9.238 ( -19.161 15.050 6.479) 25.212 16.418 ( -0.298 -3.993 -0.079) 4.005 16.612 ( 1.216 -5.467 0.392) 5.615 17.109 ( 8.929 4.510 -3.358) 10.552 17.351 ( 5.921 -0.562 -1.998) 6.274 22.657 ( -0.346 0.722 2.070) 2.219 22.709 ( 0.221 0.222 1.049) 1.094 26.544 ( -1.489 0.972 -0.636) 1.889 26.644 ( -1.110 0.992 -1.853) 2.376 35.949 ( -6.093 -8.645 -2.259) 10.815 36.380 ( 5.065 5.433 0.104) 7.428 36.528 ( 4.324 -0.859 5.375) 6.951 37.973 ( 1.055 -1.477 -26.610) 26.671 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 17.025 -4.380 8.784) 19.652 2.130 ( 13.969 -9.385 -2.517) 17.016 2.522 ( -4.087 5.911 -3.728) 8.096 2.814 ( 1.890 3.534 -6.999) 8.065 2.952 ( 0.546 -2.225 5.415) 5.879 3.220 ( -1.679 -1.108 -7.877) 8.130 3.409 ( 15.247 -8.446 -0.670) 17.443 3.891 ( 0.949 -12.603 -1.817) 12.769 4.914 ( 8.894 0.255 1.784) 9.075 4.987 ( 3.705 -6.368 0.583) 7.391 5.056 ( 0.990 -0.429 5.756) 5.856 5.413 ( 4.306 -2.450 4.592) 6.755 5.621 ( -6.758 -4.203 -0.288) 7.963 5.804 ( 3.878 -19.781 2.476) 20.309 5.929 ( -1.647 -12.423 -4.977) 13.483 6.175 ( 13.197 1.891 -2.726) 13.607 6.400 ( 10.089 6.242 -1.914) 12.017 6.786 ( 3.978 -5.719 -0.664) 6.998 6.872 ( 5.220 -4.556 -1.471) 7.083 6.916 ( 8.035 -5.462 -1.085) 9.776 7.413 ( -0.371 2.065 1.572) 2.621 7.518 ( 7.271 4.117 -0.051) 8.356 7.614 ( -3.983 4.165 4.299) 7.189 8.703 ( -21.350 20.971 8.197) 31.029 16.504 ( 0.490 -5.328 -0.041) 5.350 16.733 ( 0.556 -5.935 0.289) 5.968 17.103 ( 7.768 5.012 -1.724) 9.404 17.414 ( 3.777 -0.885 -1.777) 4.267 22.644 ( -0.111 0.772 1.041) 1.301 22.709 ( 0.315 0.276 0.616) 0.744 26.509 ( -0.821 1.367 -0.556) 1.689 26.606 ( -1.395 1.389 -1.452) 2.446 36.079 ( -5.433 -12.140 -1.091) 13.345 36.335 ( 6.654 6.188 -2.958) 9.556 36.557 ( 2.651 2.817 6.258) 7.357 37.963 ( -2.209 -2.544 -14.406) 14.795 ======================= Grid point 26 (19/227) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 12.821 -3.804 2.880) 13.680 2.191 ( -6.127 5.558 -5.429) 9.895 2.478 ( 5.693 -2.027 0.617) 6.075 2.791 ( 2.672 1.752 -4.236) 5.306 2.995 ( 2.666 -1.131 4.927) 5.715 3.206 ( -1.975 -1.056 -6.226) 6.616 3.622 ( 3.012 -4.343 -0.022) 5.286 4.142 ( 1.397 -13.780 -1.285) 13.910 4.942 ( 2.501 2.887 1.658) 4.164 5.100 ( 3.129 -0.556 3.601) 4.803 5.131 ( 7.614 -2.796 5.792) 9.967 5.456 ( -4.182 0.205 -2.553) 4.904 5.594 ( -1.225 -1.205 -2.938) 3.404 5.963 ( 0.884 -1.776 1.094) 2.266 6.237 ( 8.896 2.998 0.882) 9.429 6.405 ( 13.543 -2.180 -4.011) 14.291 6.526 ( 8.124 -26.755 -3.487) 28.177 6.852 ( 1.954 -0.874 -2.860) 3.572 6.988 ( -1.147 -3.950 3.409) 5.342 7.109 ( 4.260 -8.717 -3.005) 10.157 7.349 ( -0.227 5.073 2.653) 5.730 7.448 ( 0.051 5.732 3.418) 6.674 7.541 ( 2.451 5.563 -2.879) 6.726 8.122 ( -21.202 18.374 8.628) 29.353 16.611 ( 1.923 -4.911 -0.017) 5.274 16.818 ( 0.730 -2.525 0.204) 2.637 17.091 ( 4.682 3.517 -0.316) 5.865 17.446 ( 0.368 -0.469 -1.550) 1.661 22.631 ( -0.065 0.671 0.410) 0.789 22.707 ( 0.281 0.300 0.350) 0.540 26.480 ( -0.107 1.079 -0.450) 1.174 26.566 ( -1.417 0.994 -0.761) 1.891 36.233 ( -1.602 -5.731 1.956) 6.264 36.297 ( 5.006 1.006 -7.095) 8.742 36.507 ( 0.046 5.260 6.103) 8.057 37.984 ( -2.725 -4.977 -6.413) 8.563 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -2.472 13.503 -8.036) 15.906 2.155 ( 2.549 -6.300 3.532) 7.659 2.576 ( 3.371 -3.225 0.265) 4.673 2.740 ( 2.031 6.535 -2.021) 7.136 3.078 ( 4.719 -1.708 6.935) 8.561 3.209 ( -0.791 -2.397 -6.400) 6.880 3.641 ( -4.768 0.687 -0.296) 4.827 4.391 ( 1.527 -11.813 0.038) 11.912 4.905 ( 1.710 3.771 4.316) 5.981 5.130 ( 3.310 1.785 2.657) 4.605 5.248 ( 4.055 -0.702 4.344) 5.984 5.340 ( -3.834 4.154 -9.820) 11.331 5.614 ( 1.234 -0.061 -0.106) 1.240 5.972 ( -0.731 0.976 1.368) 1.833 6.188 ( 6.660 10.234 -1.383) 12.288 6.520 ( 11.949 2.620 -2.590) 12.504 6.761 ( -6.691 6.175 -0.582) 9.123 6.878 ( 0.004 -0.481 1.531) 1.605 7.141 ( 4.156 -3.364 0.890) 5.421 7.181 ( -4.080 10.311 -0.316) 11.093 7.331 ( 1.834 -3.012 -2.541) 4.347 7.427 ( -0.738 2.257 0.311) 2.395 7.516 ( 3.724 -21.568 0.034) 21.887 7.728 ( -11.909 4.890 5.353) 13.943 16.713 ( 3.347 -3.187 -0.081) 4.622 16.846 ( 1.395 0.309 0.317) 1.463 17.062 ( 1.057 3.272 0.053) 3.439 17.426 ( -2.858 1.238 -0.825) 3.221 22.620 ( -0.085 0.543 0.039) 0.551 22.705 ( 0.174 0.283 0.195) 0.385 26.468 ( 0.374 0.290 -0.379) 0.606 26.543 ( -1.093 -0.051 -0.046) 1.095 36.206 ( 5.928 6.348 -2.646) 9.080 36.395 ( -3.088 3.518 1.724) 4.989 36.423 ( -1.098 -5.865 1.117) 6.071 38.066 ( -1.212 -7.018 -1.748) 7.334 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.319 18.462 -5.313) 19.691 2.316 ( 1.887 -6.984 1.577) 7.404 2.560 ( -0.672 11.725 -1.427) 11.830 2.691 ( 4.227 -2.193 0.183) 4.766 3.164 ( 4.160 -1.322 8.197) 9.286 3.240 ( -0.916 -2.332 -5.305) 5.867 3.513 ( -6.133 6.627 -1.277) 9.120 4.585 ( 2.125 -7.153 1.475) 7.606 4.866 ( 2.683 3.989 5.354) 7.195 5.080 ( -2.109 7.708 -2.146) 8.274 5.150 ( -3.658 3.502 -6.228) 8.027 5.324 ( 6.306 4.202 0.906) 7.632 5.604 ( 0.506 2.701 0.552) 2.803 5.897 ( -4.026 5.248 -1.460) 6.773 6.030 ( 0.876 9.886 0.189) 9.927 6.453 ( -1.294 12.323 1.825) 12.524 6.598 ( 6.447 4.596 -0.303) 7.923 6.801 ( -6.654 6.269 3.431) 9.765 7.016 ( -1.936 3.500 -2.527) 4.731 7.125 ( 0.679 4.901 -0.474) 4.970 7.267 ( -0.982 5.639 -1.141) 5.837 7.389 ( -0.984 1.409 -0.383) 1.761 7.583 ( -0.850 1.705 2.030) 2.784 8.188 ( 3.811 -34.959 -0.723) 35.173 16.789 ( 3.653 -1.078 -0.170) 3.813 16.843 ( 1.229 1.598 0.303) 2.039 16.993 ( -0.914 4.289 -0.071) 4.386 17.340 ( -3.957 3.993 -0.012) 5.622 22.610 ( -0.092 0.415 -0.126) 0.444 22.702 ( 0.066 0.195 0.100) 0.229 26.476 ( 0.399 -0.788 -0.241) 0.916 26.546 ( -0.515 -1.173 0.289) 1.314 36.160 ( 5.663 4.616 -2.544) 7.736 36.269 ( -5.274 4.265 3.010) 7.421 36.515 ( -0.294 -3.392 -0.478) 3.438 38.192 ( 0.340 -7.216 0.352) 7.232 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 20.052 -0.000) 20.052 2.253 ( 0.000 21.286 -0.000) 21.286 2.441 ( -0.000 -5.402 0.000) 5.402 2.758 ( -0.000 -1.868 0.000) 1.868 3.212 ( 0.000 1.220 -0.000) 1.220 3.264 ( -0.000 -2.818 0.000) 2.818 3.272 ( 0.000 16.672 -0.000) 16.672 4.673 ( 0.000 1.028 -0.000) 1.028 4.842 ( 0.000 1.317 -0.000) 1.317 4.847 ( 0.000 11.739 -0.000) 11.739 5.047 ( 0.000 7.260 -0.000) 7.260 5.228 ( 0.000 9.468 -0.000) 9.468 5.536 ( 0.000 3.306 -0.000) 3.306 5.780 ( 0.000 2.699 -0.000) 2.699 5.893 ( 0.000 6.028 -0.000) 6.028 6.278 ( 0.000 6.390 -0.000) 6.390 6.595 ( 0.000 7.686 -0.000) 7.686 6.604 ( 0.000 3.867 -0.000) 3.867 6.880 ( 0.000 10.491 -0.000) 10.491 6.992 ( 0.000 10.167 -0.000) 10.167 7.222 ( -0.000 -1.505 0.000) 1.505 7.324 ( 0.000 4.932 -0.000) 4.932 7.594 ( -0.000 -2.750 0.000) 2.750 8.798 ( -0.000 -29.876 0.000) 29.876 16.812 ( 0.000 1.811 -0.000) 1.811 16.813 ( 0.000 2.409 -0.000) 2.409 16.905 ( 0.000 4.076 -0.000) 4.076 17.220 ( 0.000 6.202 -0.000) 6.202 22.603 ( 0.000 0.284 -0.000) 0.284 22.700 ( 0.000 0.058 -0.000) 0.058 26.503 ( -0.000 -1.875 0.000) 1.875 26.572 ( -0.000 -1.821 0.000) 1.821 36.158 ( 0.000 1.804 -0.000) 1.804 36.158 ( 0.000 1.804 0.000) 1.804 36.531 ( 0.000 1.327 -0.000) 1.327 38.314 ( -0.000 -5.543 0.000) 5.543 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 17.660 0.000 10.501) 20.546 1.867 ( 24.679 0.000 -3.701) 24.955 2.636 ( -1.554 -0.000 1.611) 2.239 2.799 ( 1.953 0.000 3.736) 4.215 2.997 ( -11.541 -0.000 -16.114) 19.821 3.168 ( 10.641 0.000 -4.941) 11.732 3.248 ( 21.507 0.000 -1.500) 21.559 3.627 ( 2.653 0.000 1.315) 2.961 4.759 ( 2.217 0.000 -2.474) 3.322 4.885 ( 9.236 0.000 2.903) 9.681 5.017 ( 1.792 0.000 5.012) 5.323 5.317 ( -0.751 -0.000 0.339) 0.824 5.469 ( -0.017 -0.000 4.244) 4.244 5.480 ( 1.929 0.000 9.035) 9.239 5.737 ( -8.007 -0.000 -5.158) 9.525 6.251 ( 14.151 0.000 -5.147) 15.058 6.577 ( 7.193 0.000 0.046) 7.193 6.586 ( 11.968 0.000 1.314) 12.040 6.781 ( 0.442 0.000 -3.119) 3.150 6.835 ( 11.583 0.000 -0.704) 11.604 7.479 ( 6.255 0.000 0.619) 6.286 7.519 ( -1.434 -0.000 -3.246) 3.549 7.726 ( 0.851 0.000 9.376) 9.415 9.184 ( -21.349 -0.000 7.171) 22.522 16.375 ( -0.230 -0.000 0.079) 0.243 16.577 ( 1.555 0.000 0.266) 1.578 17.239 ( 8.394 0.000 -3.586) 9.128 17.407 ( 5.773 0.000 -1.385) 5.937 22.661 ( -0.462 -0.000 1.113) 1.205 22.716 ( 0.181 0.000 1.497) 1.508 26.538 ( -1.026 -0.000 -0.857) 1.336 26.637 ( -1.539 -0.000 -1.534) 2.172 35.802 ( -5.264 -0.000 -2.331) 5.757 36.453 ( 0.270 0.000 2.572) 2.586 36.597 ( 8.140 0.000 3.469) 8.848 37.941 ( 1.773 0.000 -22.747) 22.816 ======================= Grid point 35 (24/227) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 15.046 -1.507 8.183) 17.194 2.154 ( 17.549 -5.099 -3.508) 18.608 2.561 ( -3.870 3.947 -2.432) 6.039 2.839 ( -7.004 1.415 -9.155) 11.614 2.877 ( 0.144 -4.740 3.046) 5.636 3.186 ( -0.292 -0.073 -4.598) 4.607 3.521 ( 18.893 -1.541 1.026) 18.983 3.724 ( 2.999 -6.542 -1.084) 7.278 4.884 ( 3.459 -9.629 -1.798) 10.389 4.990 ( 6.014 -0.286 0.256) 6.026 5.065 ( 4.326 -2.035 5.833) 7.542 5.387 ( -1.006 -9.247 -0.622) 9.322 5.445 ( 0.771 -0.106 5.284) 5.341 5.604 ( -1.419 -5.851 5.397) 8.085 5.710 ( -3.765 -7.666 -5.533) 10.176 6.362 ( 13.869 2.726 -2.589) 14.369 6.600 ( 8.896 4.485 -1.941) 10.150 6.742 ( 4.130 -2.999 -0.456) 5.125 6.826 ( 4.244 -5.135 -1.423) 6.812 6.946 ( 6.914 -1.231 -1.104) 7.109 7.435 ( -5.537 1.884 1.370) 6.007 7.573 ( 3.769 -1.697 0.135) 4.136 7.744 ( 8.613 6.049 3.681) 11.150 8.832 ( -21.487 14.343 7.636) 26.939 16.414 ( -0.091 -4.298 0.083) 4.300 16.637 ( 0.938 -4.617 0.210) 4.717 17.273 ( 7.181 4.382 -2.516) 8.781 17.455 ( 4.356 0.559 -1.052) 4.516 22.654 ( -0.290 0.455 0.592) 0.801 22.718 ( 0.238 0.214 1.044) 1.092 26.521 ( -0.378 0.825 -0.786) 1.200 26.608 ( -1.735 0.908 -1.134) 2.263 35.828 ( -4.560 -8.429 -1.591) 9.715 36.450 ( 1.841 1.336 0.364) 2.303 36.656 ( 5.600 2.781 4.318) 7.599 37.912 ( -0.020 0.474 -14.809) 14.816 ======================= Grid point 36 (25/227) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 11.512 -3.182 4.196) 12.660 2.246 ( -1.135 6.104 -5.392) 8.223 2.506 ( 3.390 -0.240 0.142) 3.402 2.791 ( -0.911 -2.042 -5.978) 6.382 2.964 ( -0.547 -4.534 4.064) 6.113 3.173 ( -0.590 -0.065 -3.545) 3.594 3.660 ( 7.946 1.832 0.770) 8.191 3.913 ( 1.068 -12.406 -1.022) 12.494 4.987 ( 0.420 1.139 0.357) 1.266 5.066 ( 1.890 -4.621 0.053) 4.993 5.211 ( 10.139 -2.654 4.706) 11.488 5.436 ( -3.279 1.334 0.605) 3.591 5.517 ( -1.995 -5.506 -0.681) 5.896 5.849 ( -1.079 -10.373 3.107) 10.882 5.921 ( 2.394 -28.541 -3.401) 28.843 6.454 ( 13.346 2.410 -1.846) 13.687 6.609 ( 9.774 4.528 -2.605) 11.083 6.807 ( -0.460 -3.473 -1.861) 3.967 6.954 ( 1.411 -2.507 1.224) 3.126 7.033 ( 2.929 -3.878 -1.477) 5.079 7.369 ( -3.435 -0.617 1.178) 3.684 7.602 ( 1.935 2.712 1.126) 3.517 7.678 ( 7.640 11.179 0.184) 13.542 8.301 ( -18.912 21.027 7.302) 29.208 16.517 ( 0.607 -6.542 0.079) 6.571 16.739 ( 0.038 -5.540 0.156) 5.542 17.237 ( 5.041 6.025 -0.981) 7.917 17.468 ( 1.886 1.471 -1.022) 2.601 22.643 ( -0.136 0.638 0.280) 0.710 22.717 ( 0.227 0.322 0.521) 0.653 26.501 ( 0.219 1.176 -0.542) 1.314 26.569 ( -1.621 1.183 -0.637) 2.105 35.982 ( -3.282 -12.745 -0.642) 13.176 36.440 ( 4.022 3.238 -2.963) 5.953 36.623 ( 1.683 5.986 5.318) 8.181 37.889 ( -1.250 -1.442 -7.366) 7.609 ======================= Grid point 37 (26/227) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 3.749 9.294 -5.462) 11.414 2.087 ( -1.576 -1.790 3.590) 4.310 2.551 ( 1.224 -1.844 0.030) 2.213 2.813 ( 0.566 0.158 -1.473) 1.586 3.061 ( 1.688 -4.779 2.092) 5.483 3.168 ( -0.263 -0.536 -2.456) 2.528 3.652 ( 0.446 3.206 0.155) 3.240 4.165 ( 0.701 -13.962 -0.163) 13.981 4.965 ( 0.225 1.529 1.352) 2.053 5.131 ( 0.372 -1.814 0.458) 1.908 5.304 ( 0.412 2.942 1.382) 3.277 5.392 ( 4.202 0.454 -0.932) 4.328 5.583 ( -0.910 -3.853 -0.434) 3.983 5.946 ( -1.531 -2.787 0.790) 3.277 6.437 ( 9.011 1.929 1.047) 9.274 6.582 ( -1.309 -22.221 -5.567) 22.945 6.662 ( 9.607 0.493 -1.109) 9.683 6.814 ( -4.525 -1.592 1.892) 5.156 7.028 ( 4.839 -6.336 -0.971) 8.031 7.132 ( -2.088 -7.321 -0.318) 7.619 7.382 ( 3.080 2.978 -2.573) 4.998 7.449 ( -1.541 12.448 4.598) 13.359 7.563 ( 0.453 6.259 -1.598) 6.476 7.792 ( -10.667 16.107 4.962) 19.946 16.648 ( 1.230 -6.495 0.035) 6.611 16.821 ( -0.182 -3.423 0.108) 3.429 17.166 ( 2.101 5.844 -0.077) 6.211 17.440 ( -0.266 2.252 -0.660) 2.362 22.630 ( -0.053 0.661 0.078) 0.668 22.713 ( 0.121 0.368 0.178) 0.426 26.484 ( 0.405 0.978 -0.294) 1.099 26.536 ( -1.012 0.629 -0.148) 1.200 36.189 ( -1.430 -12.241 0.380) 12.330 36.399 ( 4.732 5.582 -5.565) 9.194 36.504 ( -1.962 7.658 5.640) 9.711 37.930 ( -0.960 -5.480 -2.227) 5.992 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 16.820 -0.000) 16.820 2.201 ( -0.000 -6.892 0.000) 6.892 2.603 ( -0.000 -2.680 0.000) 2.680 2.771 ( 0.000 5.016 -0.000) 5.016 3.155 ( -0.000 -3.862 0.000) 3.862 3.182 ( -0.000 -1.502 0.000) 1.502 3.579 ( 0.000 4.450 -0.000) 4.450 4.410 ( -0.000 -12.372 0.000) 12.372 4.939 ( 0.000 2.037 -0.000) 2.037 5.152 ( -0.000 -0.376 0.000) 0.376 5.197 ( 0.000 7.024 -0.000) 7.024 5.417 ( 0.000 1.357 -0.000) 1.357 5.630 ( -0.000 -1.124 0.000) 1.124 5.939 ( 0.000 2.137 -0.000) 2.137 6.284 ( 0.000 14.552 -0.000) 14.552 6.631 ( 0.000 7.063 -0.000) 7.063 6.698 ( 0.000 2.105 -0.000) 2.105 6.886 ( 0.000 0.937 -0.000) 0.937 7.086 ( 0.000 12.062 -0.000) 12.062 7.193 ( 0.000 0.073 -0.000) 0.073 7.390 ( 0.000 2.337 -0.000) 2.337 7.397 ( 0.000 1.560 -0.000) 1.560 7.568 ( -0.000 -29.367 0.000) 29.367 7.593 ( 0.000 1.820 -0.000) 1.820 16.758 ( -0.000 -4.390 0.000) 4.390 16.857 ( -0.000 -0.658 0.000) 0.658 17.076 ( 0.000 5.118 -0.000) 5.118 17.387 ( 0.000 3.168 -0.000) 3.168 22.619 ( 0.000 0.584 -0.000) 0.584 22.707 ( 0.000 0.325 -0.000) 0.325 26.474 ( 0.000 0.269 -0.000) 0.269 26.529 ( -0.000 -0.365 0.000) 0.365 36.313 ( 0.000 3.805 -0.000) 3.805 36.317 ( 0.000 6.212 -0.000) 6.212 36.413 ( -0.000 -5.222 0.000) 5.222 38.050 ( -0.000 -8.043 0.000) 8.043 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 11.278 0.000 6.543) 13.039 2.293 ( 16.529 0.000 -2.737) 16.754 2.562 ( -3.601 -0.000 -2.668) 4.482 2.732 ( -7.097 -0.000 -2.643) 7.573 2.834 ( -1.657 -0.000 -3.875) 4.215 3.177 ( -0.749 -0.000 -1.786) 1.937 3.609 ( 3.685 0.000 3.518) 5.095 3.790 ( 13.439 0.000 -2.775) 13.722 4.783 ( 0.906 0.000 -1.769) 1.987 5.066 ( 1.256 0.000 2.826) 3.092 5.088 ( 9.004 0.000 2.343) 9.304 5.300 ( -0.254 -0.000 -3.750) 3.759 5.446 ( -3.860 -0.000 5.835) 6.996 5.545 ( -0.844 -0.000 6.431) 6.487 5.600 ( -0.995 -0.000 -5.976) 6.059 6.528 ( 12.539 0.000 0.439) 12.547 6.713 ( 5.564 0.000 -4.270) 7.014 6.772 ( 0.170 0.000 -2.543) 2.549 6.800 ( 7.431 0.000 0.594) 7.455 6.995 ( 4.321 0.000 -0.545) 4.355 7.360 ( -9.788 -0.000 2.719) 10.159 7.623 ( 6.149 0.000 0.442) 6.165 7.927 ( 13.275 0.000 0.359) 13.280 8.748 ( -21.801 -0.000 6.747) 22.821 16.371 ( -0.191 -0.000 0.103) 0.217 16.605 ( 0.976 0.000 0.112) 0.982 17.375 ( 5.122 0.000 -2.092) 5.533 17.503 ( 3.500 0.000 -0.525) 3.539 22.656 ( -0.239 -0.000 0.263) 0.355 22.724 ( 0.152 0.000 0.884) 0.897 26.527 ( 0.177 0.000 -0.765) 0.785 26.597 ( -1.758 -0.000 -0.673) 1.882 35.706 ( -3.112 -0.000 -1.250) 3.354 36.462 ( 0.033 0.000 1.400) 1.401 36.754 ( 5.317 0.000 2.490) 5.871 37.900 ( 0.087 0.000 -10.691) 10.692 ======================= Grid point 46 (29/227) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.308 -1.457 3.301) 7.267 2.363 ( 2.590 6.353 -3.199) 7.570 2.539 ( 2.835 -0.273 0.432) 2.881 2.703 ( -2.679 -3.494 -4.477) 6.279 2.858 ( -2.005 -5.141 1.225) 5.653 3.166 ( -0.455 0.044 -1.068) 1.162 3.712 ( 1.470 -7.998 2.253) 8.438 3.835 ( 5.498 5.389 -2.006) 7.955 4.932 ( 1.302 -11.860 -0.693) 11.951 5.031 ( 0.403 3.033 0.582) 3.115 5.244 ( 7.918 -5.381 2.412) 9.873 5.349 ( -0.860 -6.162 -3.118) 6.959 5.421 ( -4.696 -0.652 3.357) 5.809 5.587 ( -0.611 -8.345 0.922) 8.418 5.676 ( 0.204 -7.731 -0.869) 7.782 6.624 ( 9.794 2.156 2.119) 10.250 6.743 ( 4.186 1.377 -4.435) 6.252 6.756 ( -0.251 -0.063 -2.178) 2.193 6.904 ( 1.066 -3.619 1.627) 4.109 7.026 ( 1.683 -0.153 -0.868) 1.899 7.291 ( -5.447 -1.940 1.639) 6.010 7.666 ( 3.050 1.201 0.280) 3.290 7.985 ( 12.206 9.259 -1.210) 15.368 8.431 ( -17.208 12.211 5.060) 21.698 16.413 ( -0.038 -4.659 0.059) 4.660 16.651 ( 0.352 -3.977 0.059) 3.993 17.374 ( 2.741 4.166 -0.900) 5.068 17.516 ( 1.612 1.511 -0.342) 2.236 22.651 ( -0.107 0.378 0.108) 0.407 22.724 ( 0.099 0.196 0.403) 0.459 26.522 ( 0.469 0.773 -0.443) 1.007 26.571 ( -1.279 0.835 -0.272) 1.551 35.757 ( -1.686 -8.273 -0.564) 8.462 36.473 ( 0.437 -0.633 0.227) 0.802 36.758 ( 2.473 4.618 1.675) 5.500 37.873 ( -0.254 1.030 -4.891) 5.004 ======================= Grid point 47 (30/227) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -0.000 -3.528 0.000) 3.528 2.203 ( 0.000 10.677 -0.000) 10.677 2.545 ( 0.000 0.431 -0.000) 0.431 2.773 ( -0.000 -4.111 0.000) 4.111 2.963 ( -0.000 -6.681 0.000) 6.681 3.162 ( 0.000 0.040 -0.000) 0.040 3.745 ( 0.000 5.932 -0.000) 5.932 3.921 ( -0.000 -13.035 0.000) 13.035 4.990 ( 0.000 1.559 -0.000) 1.559 5.086 ( -0.000 -4.306 0.000) 4.306 5.359 ( 0.000 2.150 -0.000) 2.150 5.404 ( -0.000 -1.957 0.000) 1.957 5.465 ( -0.000 -7.720 0.000) 7.720 5.835 ( -0.000 -8.579 0.000) 8.579 5.948 ( -0.000 -31.138 0.000) 31.138 6.645 ( 0.000 4.438 -0.000) 4.438 6.730 ( 0.000 1.248 -0.000) 1.248 6.753 ( -0.000 -1.053 0.000) 1.053 6.982 ( -0.000 -5.700 0.000) 5.700 7.029 ( 0.000 0.166 -0.000) 0.166 7.332 ( -0.000 -4.518 0.000) 4.518 7.637 ( 0.000 3.845 -0.000) 3.845 7.807 ( 0.000 17.753 -0.000) 17.753 8.053 ( 0.000 17.859 -0.000) 17.859 16.525 ( -0.000 -7.234 0.000) 7.234 16.739 ( -0.000 -5.159 0.000) 5.159 17.291 ( 0.000 6.246 -0.000) 6.246 17.486 ( 0.000 2.542 -0.000) 2.542 22.642 ( 0.000 0.602 -0.000) 0.602 22.720 ( 0.000 0.331 -0.000) 0.331 26.506 ( 0.000 1.177 -0.000) 1.177 26.546 ( 0.000 1.043 -0.000) 1.043 35.945 ( -0.000 -12.909 0.000) 12.909 36.477 ( 0.000 1.219 -0.000) 1.219 36.653 ( 0.000 8.099 -0.000) 8.099 37.863 ( -0.000 -1.166 0.000) 1.166 ======================= Grid point 58 (31/227) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 -0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 -0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 -0.000) 0.000 6.709 ( -0.000 -0.000 -0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 -0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.695 ( 0.000 0.000 0.000) 0.000 8.165 ( -0.000 -0.000 0.000) 0.000 8.428 ( 0.000 0.000 -0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 17.427 ( 0.000 0.000 -0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 22.654 ( 0.000 0.000 0.000) 0.000 22.727 ( 0.000 0.000 0.000) 0.000 26.532 ( -0.000 -0.000 -0.000) 0.000 26.572 ( 0.000 0.000 0.000) 0.000 35.670 ( 0.000 0.000 0.000) 0.000 36.465 ( 0.000 0.000 0.000) 0.000 36.817 ( 0.000 0.000 0.000) 0.000 37.881 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( -12.716 -0.000 15.523) 20.066 0.530 ( -0.219 -0.000 25.281) 25.282 0.965 ( 3.043 0.000 45.150) 45.253 2.434 ( 2.336 0.000 -1.925) 3.027 2.460 ( 2.124 0.000 -8.125) 8.398 3.224 ( -6.191 -0.000 -0.134) 6.192 3.791 ( -15.267 -0.000 -11.049) 18.846 3.812 ( -6.392 -0.000 9.108) 11.127 4.393 ( 8.839 0.000 7.682) 11.710 4.634 ( -0.755 -0.000 1.875) 2.022 4.884 ( 3.052 0.000 -0.453) 3.086 5.264 ( 2.942 0.000 -3.623) 4.667 5.459 ( -1.581 -0.000 4.922) 5.169 5.575 ( -0.262 -0.000 -5.381) 5.388 5.700 ( 27.145 0.000 0.553) 27.150 6.038 ( 2.950 0.000 -0.043) 2.950 6.101 ( -1.628 -0.000 1.323) 2.098 6.152 ( 0.251 0.000 -10.535) 10.538 6.398 ( -2.516 -0.000 -1.466) 2.912 6.780 ( 46.987 0.000 -1.446) 47.010 7.222 ( 3.372 0.000 -12.874) 13.308 7.317 ( 0.372 0.000 -1.186) 1.243 8.127 ( -0.599 -0.000 14.556) 14.568 9.529 ( -19.690 -0.000 -3.751) 20.044 16.380 ( -0.101 -0.000 -0.348) 0.362 16.506 ( 0.291 0.000 0.405) 0.498 16.831 ( -2.216 -0.000 -0.525) 2.278 16.888 ( -4.381 -0.000 0.967) 4.486 22.706 ( -0.603 -0.000 0.138) 0.619 22.853 ( 12.753 0.000 -0.786) 12.777 26.642 ( 0.370 0.000 0.064) 0.375 26.670 ( -0.769 -0.000 -0.107) 0.777 36.106 ( -3.193 -0.000 0.126) 3.196 36.245 ( 1.100 0.000 2.951) 3.149 36.382 ( 3.248 0.000 0.378) 3.270 36.790 ( -88.165 -0.000 -1.194) 88.173 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 7.681 -28.669 12.330) 32.140 0.949 ( 11.265 -16.322 21.224) 29.047 1.322 ( 20.725 -28.336 23.375) 42.176 2.439 ( 4.947 0.944 -4.666) 6.866 2.604 ( 6.153 -8.447 -2.815) 10.823 3.136 ( -6.776 1.591 -2.510) 7.399 3.551 ( -10.156 4.803 0.507) 11.246 3.838 ( -7.801 -8.102 -0.052) 11.247 4.559 ( 7.679 -6.427 3.366) 10.564 4.670 ( 0.074 -3.951 2.327) 4.586 4.916 ( 3.275 -0.226 -1.440) 3.585 5.283 ( 2.749 4.473 2.786) 5.944 5.428 ( 4.006 -3.755 1.460) 5.682 5.559 ( 1.824 0.442 -6.594) 6.856 5.834 ( 7.213 2.229 -2.975) 8.115 6.098 ( 1.368 -5.366 -0.331) 5.547 6.170 ( 3.646 -6.131 3.313) 7.865 6.211 ( -1.854 -7.619 -3.602) 8.629 6.404 ( -3.381 -3.491 -1.052) 4.972 6.929 ( 12.242 23.063 10.226) 28.041 7.137 ( 5.372 -0.374 -5.451) 7.662 7.241 ( 0.046 1.738 -6.147) 6.389 8.116 ( -0.622 4.217 13.903) 14.542 9.553 ( -3.748 -4.188 -13.261) 14.403 16.485 ( -4.191 -7.243 -2.788) 8.820 16.566 ( 1.341 -6.003 -1.463) 6.322 16.844 ( -0.241 0.373 0.926) 1.027 16.913 ( 9.877 -1.557 -3.311) 10.533 22.695 ( -0.696 0.563 -0.094) 0.900 22.785 ( 2.123 8.118 5.237) 9.891 26.623 ( -1.464 1.431 0.218) 2.059 26.641 ( -0.327 1.699 -0.702) 1.867 36.105 ( -0.625 -0.944 -0.809) 1.391 36.268 ( 0.588 -1.439 4.501) 4.762 36.384 ( 1.692 0.571 0.991) 2.042 37.168 ( -12.636 -53.407 -35.523) 65.375 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.091 -8.036 30.695) 32.745 1.521 ( 10.784 -24.366 7.915) 27.796 2.197 ( 20.327 -32.965 0.502) 38.732 2.469 ( 4.247 0.928 -3.699) 5.708 2.806 ( 4.071 -5.456 0.629) 6.837 3.026 ( -6.129 1.215 -5.146) 8.095 3.436 ( -6.091 -1.323 4.018) 7.416 3.939 ( -5.099 -10.788 -2.133) 12.122 4.718 ( 4.213 -5.105 -1.590) 6.807 4.833 ( 1.502 -9.971 6.015) 11.741 4.971 ( 5.153 -1.930 -3.882) 6.734 5.266 ( 5.109 1.305 7.291) 8.998 5.565 ( 6.363 1.137 -5.245) 8.324 5.601 ( 3.586 -7.602 -5.292) 9.933 5.838 ( 3.517 2.480 -1.901) 4.705 6.172 ( -6.376 -6.227 -2.560) 9.272 6.292 ( -1.160 -1.810 12.043) 12.233 6.462 ( 9.382 -8.993 0.822) 13.021 6.486 ( 2.123 -13.789 -0.307) 13.955 6.737 ( 3.006 5.489 2.320) 6.674 7.209 ( 5.894 1.934 -10.347) 12.064 7.222 ( 5.345 -0.188 -2.357) 5.845 8.000 ( -3.589 8.600 13.315) 16.252 9.398 ( -8.796 10.847 -7.489) 15.847 16.553 ( -4.057 -6.026 -0.582) 7.287 16.681 ( 0.890 -4.931 -1.476) 5.223 16.854 ( 1.273 -1.399 1.399) 2.352 17.067 ( 10.664 -3.727 -5.166) 12.422 22.668 ( -0.282 1.675 0.768) 1.864 22.721 ( 0.757 2.153 2.896) 3.687 26.572 ( -2.084 1.897 -0.185) 2.824 26.607 ( 0.068 1.867 -1.200) 2.220 36.096 ( 0.097 1.453 -0.502) 1.540 36.341 ( 0.680 -4.617 5.828) 7.466 36.397 ( 3.230 1.126 0.327) 3.436 37.699 ( -5.310 -24.214 -29.678) 38.669 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 7.725 -9.825 26.943) 29.701 2.024 ( 7.194 -19.069 4.417) 20.854 2.446 ( 1.890 3.592 -1.580) 4.355 2.710 ( -5.988 -3.377 -3.853) 7.881 2.868 ( 7.902 -5.226 1.178) 9.547 3.047 ( 3.972 -5.750 -7.637) 10.352 3.492 ( -0.847 -7.933 6.110) 10.049 4.109 ( -1.721 -12.097 -1.252) 12.283 4.822 ( 0.622 -2.669 2.682) 3.834 5.020 ( 2.172 -4.376 2.976) 5.721 5.069 ( 3.505 -6.774 -2.932) 8.171 5.380 ( 7.293 -4.290 7.102) 11.047 5.590 ( 4.862 0.744 -5.641) 7.484 5.756 ( 4.920 -2.808 -6.335) 8.499 5.829 ( 4.120 1.143 -1.979) 4.712 6.186 ( -2.916 -1.588 2.291) 4.034 6.330 ( -2.378 -7.554 7.153) 10.671 6.700 ( 5.797 -2.851 -5.136) 8.253 6.761 ( 4.229 -9.501 1.044) 10.452 6.866 ( 7.318 -16.642 0.506) 18.186 7.232 ( 5.910 -0.623 -8.395) 10.285 7.276 ( 5.784 1.370 -2.656) 6.511 7.792 ( -7.153 10.155 11.376) 16.844 8.998 ( -13.398 18.802 -1.998) 23.173 16.609 ( -3.394 -4.478 -0.006) 5.619 16.747 ( 0.836 -1.853 -0.739) 2.163 16.926 ( 2.812 -3.322 1.311) 4.545 17.242 ( 8.145 -5.382 -4.758) 10.860 22.641 ( -0.063 1.214 0.543) 1.331 22.708 ( 0.349 0.661 1.299) 1.499 26.518 ( -1.717 1.727 -0.122) 2.438 26.574 ( 0.133 1.466 -1.344) 1.993 36.065 ( -0.101 1.594 0.220) 1.612 36.397 ( 7.641 4.399 1.770) 8.993 36.459 ( -3.805 -7.790 4.571) 9.800 37.916 ( -3.486 -11.520 -18.592) 22.148 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 3.032 -8.590 21.108) 22.989 2.253 ( -3.302 0.942 0.614) 3.488 2.441 ( 0.341 -5.727 4.293) 7.166 2.630 ( -1.603 0.406 -2.573) 3.058 2.937 ( 3.061 1.439 1.096) 3.556 3.196 ( 1.876 -5.395 -5.244) 7.754 3.669 ( 2.963 -6.932 0.698) 7.571 4.312 ( 1.129 -10.264 0.004) 10.326 4.847 ( -0.028 0.307 1.433) 1.466 5.036 ( 0.929 2.870 6.987) 7.610 5.205 ( -0.125 -2.987 -0.753) 3.083 5.530 ( 2.691 -3.272 0.050) 4.236 5.617 ( -1.154 -2.097 -0.687) 2.491 5.746 ( 0.888 1.928 -1.391) 2.538 5.920 ( 8.913 -2.327 -3.200) 9.752 6.229 ( -1.184 -4.317 -0.153) 4.479 6.560 ( 8.789 -11.472 -0.149) 14.452 6.729 ( 1.978 -0.400 -5.850) 6.189 6.988 ( 3.905 -7.399 0.418) 8.377 7.212 ( 7.011 -7.066 -2.514) 10.267 7.276 ( 2.983 1.260 -2.992) 4.409 7.348 ( 5.981 -9.929 -1.932) 11.751 7.548 ( -9.909 8.196 7.494) 14.883 8.467 ( -14.374 23.055 1.689) 27.221 16.645 ( -1.771 -2.545 0.037) 3.101 16.770 ( 0.534 -0.160 -0.100) 0.566 17.009 ( 1.960 -2.380 0.892) 3.210 17.395 ( 4.605 -4.437 -3.675) 7.375 22.624 ( -0.100 0.735 -0.011) 0.742 22.705 ( 0.204 0.251 0.834) 0.895 26.478 ( -1.065 0.982 0.001) 1.448 26.556 ( 0.297 0.491 -0.993) 1.147 36.044 ( -0.888 0.197 0.941) 1.308 36.394 ( 5.594 3.778 1.052) 6.832 36.551 ( -2.973 -4.945 4.936) 7.593 38.018 ( -1.109 -6.160 -11.511) 13.102 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -13.283 7.571 10.203) 18.381 2.281 ( 3.622 -6.407 9.235) 11.809 2.480 ( 0.116 3.190 1.998) 3.766 2.645 ( -3.335 -3.168 -2.836) 5.403 2.992 ( 7.286 -1.134 5.773) 9.365 3.271 ( -1.596 -4.283 -0.935) 4.665 3.739 ( -0.702 0.857 -3.960) 4.112 4.475 ( 3.110 -4.393 1.308) 5.539 4.818 ( 0.433 3.332 -0.536) 3.403 4.984 ( 0.707 4.904 9.589) 10.794 5.175 ( -2.697 3.306 -2.349) 4.870 5.502 ( -4.114 2.640 -4.563) 6.687 5.638 ( -7.603 -4.831 0.125) 9.009 5.786 ( 5.686 -0.618 1.673) 5.959 6.051 ( 7.147 -2.466 -0.396) 7.571 6.273 ( -2.788 -1.963 0.383) 3.432 6.699 ( 0.102 -0.565 -8.802) 8.820 6.826 ( 3.053 -1.618 -0.538) 3.497 7.070 ( -0.392 0.916 -0.876) 1.327 7.192 ( 0.992 3.152 -0.288) 3.317 7.323 ( -4.101 1.474 2.071) 4.825 7.362 ( -1.069 0.468 -4.433) 4.584 7.750 ( 11.985 -19.760 0.560) 23.117 7.922 ( -9.219 21.789 3.089) 23.860 16.663 ( -0.063 -0.327 0.120) 0.354 16.772 ( 0.307 0.226 0.100) 0.394 17.040 ( -0.303 0.297 0.543) 0.689 17.470 ( 0.460 -1.283 -2.639) 2.971 22.612 ( -0.165 0.450 -0.385) 0.615 22.705 ( 0.067 0.054 0.679) 0.685 26.463 ( -0.292 -0.116 0.032) 0.316 26.561 ( 0.433 -0.772 -0.387) 0.966 36.045 ( -1.934 -1.754 1.594) 3.059 36.384 ( 2.991 2.445 0.662) 3.919 36.582 ( -2.195 -0.396 4.470) 4.995 38.094 ( 1.834 -4.060 -7.286) 8.540 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -16.028 11.870 11.845) 23.197 2.308 ( -4.614 11.647 0.758) 12.551 2.468 ( 1.582 -6.031 5.836) 8.540 2.679 ( -1.471 -3.847 -0.880) 4.211 3.101 ( 7.345 -0.173 9.103) 11.698 3.330 ( -2.432 -4.458 0.258) 5.085 3.593 ( -7.553 10.206 -3.094) 13.068 4.517 ( 4.799 5.108 5.120) 8.680 4.739 ( 1.354 5.681 -4.451) 7.342 4.927 ( -0.876 2.769 6.048) 6.710 5.060 ( -4.621 3.730 -1.655) 6.165 5.373 ( -5.766 5.283 -3.248) 8.467 5.640 ( -5.172 -2.937 -1.219) 6.072 5.829 ( -1.881 -1.513 0.059) 2.415 6.140 ( 7.819 2.863 -3.238) 8.934 6.213 ( -9.746 1.349 3.073) 10.308 6.545 ( -6.205 13.242 0.640) 14.638 6.802 ( 0.384 -0.307 -5.864) 5.884 6.968 ( -4.425 7.181 -0.463) 8.447 7.152 ( -2.348 1.702 -2.998) 4.171 7.280 ( -8.379 -1.168 2.357) 8.782 7.349 ( 0.089 3.826 -2.494) 4.569 7.545 ( 1.040 8.654 4.108) 9.636 8.304 ( 19.638 -20.797 -4.295) 28.924 16.653 ( 1.486 2.225 0.373) 2.701 16.773 ( -0.014 0.003 -0.023) 0.027 16.995 ( -2.622 2.842 0.306) 3.878 17.439 ( -3.669 2.205 -2.094) 4.766 22.602 ( -0.181 0.287 -0.545) 0.642 22.707 ( -0.065 -0.075 0.643) 0.651 26.476 ( 0.470 -1.248 -0.009) 1.333 26.590 ( 0.311 -1.835 0.137) 1.866 36.071 ( -2.722 -3.420 2.061) 4.833 36.371 ( -0.279 0.747 0.359) 0.874 36.537 ( -0.604 4.303 3.666) 5.685 38.183 ( 4.036 -3.568 -5.244) 7.518 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -15.116 10.979 19.012) 26.655 1.952 ( -9.717 19.178 1.613) 21.559 2.553 ( -0.883 -1.551 1.701) 2.465 2.722 ( -0.549 -1.316 -2.204) 2.625 3.098 ( -8.655 18.486 2.474) 20.561 3.224 ( -3.143 3.766 2.772) 5.634 3.407 ( -2.040 -2.452 7.444) 8.099 4.439 ( 6.843 10.268 9.532) 15.592 4.623 ( -0.833 6.812 -10.508) 12.551 4.865 ( -3.157 2.456 -2.648) 4.797 4.967 ( -5.158 1.139 4.818) 7.149 5.193 ( -4.714 7.210 -1.586) 8.759 5.624 ( -4.230 -0.622 -1.440) 4.511 5.811 ( -5.414 -1.125 -1.655) 5.773 5.884 ( -10.250 14.428 -4.202) 18.191 6.202 ( 5.652 3.063 -3.586) 7.362 6.346 ( -0.546 4.738 7.130) 8.578 6.721 ( -8.034 11.682 -0.280) 14.180 6.769 ( -3.412 6.076 -1.082) 7.052 6.985 ( -4.215 8.481 -0.871) 9.511 7.148 ( -3.571 3.282 -5.874) 7.617 7.319 ( -5.211 -2.263 0.524) 5.706 7.631 ( 5.046 -7.907 4.756) 10.517 8.863 ( 20.701 -18.177 -6.712) 28.355 16.618 ( 2.912 4.265 0.414) 5.180 16.760 ( -0.437 1.685 -0.337) 1.773 16.904 ( -4.124 2.562 0.384) 4.870 17.318 ( -7.115 4.113 -2.249) 8.521 22.596 ( -0.006 0.170 -0.325) 0.366 22.709 ( -0.183 -0.170 0.652) 0.698 26.515 ( 1.073 -2.079 -0.070) 2.340 26.629 ( -0.221 -2.231 0.322) 2.265 36.115 ( -2.732 -4.150 2.259) 5.458 36.343 ( -4.556 0.201 0.787) 4.627 36.446 ( 2.712 6.568 2.122) 7.416 38.282 ( 3.577 -3.729 -6.041) 7.949 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -10.950 7.193 29.007) 31.828 1.437 ( -13.556 24.583 4.622) 28.451 2.335 ( -17.025 36.509 2.022) 40.334 2.554 ( -8.131 3.618 -0.154) 8.901 2.679 ( -1.172 4.581 -4.185) 6.314 3.244 ( -1.454 -1.818 5.929) 6.370 3.477 ( 0.106 -4.999 9.376) 10.625 4.345 ( 4.918 11.039 7.647) 14.302 4.426 ( -3.897 7.759 -9.682) 13.005 4.782 ( -1.955 2.614 -4.661) 5.691 4.919 ( -3.098 0.613 3.564) 4.762 5.049 ( -2.004 3.915 3.444) 5.587 5.509 ( -3.693 9.263 -6.311) 11.802 5.625 ( -1.472 4.213 -0.899) 4.553 5.765 ( -5.110 -0.127 -3.507) 6.199 6.167 ( 5.929 6.936 -2.583) 9.483 6.293 ( -3.187 2.923 2.909) 5.212 6.409 ( -7.355 11.141 0.894) 13.379 6.557 ( -2.586 9.147 2.868) 9.929 6.813 ( -7.649 7.101 2.293) 10.686 7.101 ( 0.409 -2.048 -13.438) 13.600 7.306 ( -4.890 -2.222 0.358) 5.383 7.855 ( 4.559 -8.733 8.899) 13.275 9.344 ( 16.723 -14.292 -8.488) 23.579 16.564 ( 3.844 5.518 0.152) 6.727 16.682 ( -0.162 6.221 -1.472) 6.395 16.850 ( -4.738 -1.664 0.772) 5.081 17.154 ( -9.573 3.384 -3.035) 10.597 22.599 ( 0.863 -0.216 0.955) 1.305 22.711 ( -0.298 -0.199 0.647) 0.739 26.568 ( 1.354 -2.224 -0.094) 2.605 26.660 ( -1.048 -1.872 0.076) 2.147 36.167 ( -1.751 -3.707 2.269) 4.685 36.256 ( -4.604 3.601 1.674) 6.080 36.394 ( 2.687 3.036 0.261) 4.062 38.340 ( -3.702 -2.866 -14.081) 14.839 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -4.731 5.758 32.076) 32.931 0.839 ( -12.960 25.395 11.582) 30.773 1.371 ( -24.941 40.884 15.125) 50.223 2.451 ( -3.504 1.905 -4.234) 5.817 2.549 ( 0.299 7.073 -5.186) 8.776 3.258 ( -4.680 -2.151 2.971) 5.947 3.636 ( 0.507 -10.465 11.584) 15.620 4.083 ( -10.997 9.720 -7.717) 16.582 4.351 ( 8.708 6.405 7.247) 13.014 4.704 ( -1.895 3.711 -4.173) 5.897 4.877 ( -1.066 1.139 0.306) 1.590 5.103 ( 10.700 -6.273 12.475) 17.592 5.329 ( 2.558 7.670 -5.787) 9.943 5.570 ( 0.832 2.258 -0.275) 2.422 5.695 ( -1.518 3.464 -3.176) 4.939 6.065 ( -0.730 5.370 -0.151) 5.422 6.142 ( -1.174 6.460 0.018) 6.565 6.267 ( 0.406 4.864 -3.710) 6.131 6.457 ( 8.599 7.832 4.572) 12.497 6.601 ( -9.449 3.242 0.424) 9.999 7.152 ( 0.899 -4.666 -11.361) 12.315 7.300 ( -3.283 -1.886 -0.340) 3.801 8.043 ( 3.101 -5.186 12.034) 13.466 9.647 ( 4.402 -6.352 -11.456) 13.819 16.501 ( 5.001 7.586 -1.998) 9.303 16.551 ( -0.803 6.101 -1.725) 6.391 16.849 ( -4.848 -3.180 -0.396) 5.811 16.996 ( -11.303 1.431 -3.112) 11.811 22.651 ( 5.224 -3.013 4.688) 7.638 22.712 ( -0.271 -0.154 0.693) 0.760 26.616 ( 1.260 -1.517 -0.048) 1.972 26.672 ( -1.702 -1.088 -0.240) 2.034 36.157 ( -2.908 2.738 1.251) 4.185 36.216 ( -0.165 -2.180 2.328) 3.194 36.376 ( 1.849 1.707 -0.016) 2.516 38.078 ( -39.262 13.059 -40.651) 58.005 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 27.369 0.000 2.005) 27.443 1.006 ( 19.121 0.000 21.208) 28.555 1.526 ( 37.197 0.000 28.364) 46.777 2.528 ( 6.539 0.000 -7.559) 9.995 2.602 ( 11.720 0.000 1.135) 11.775 3.078 ( -6.019 -0.000 -5.935) 8.453 3.424 ( -15.413 -0.000 -10.702) 18.765 3.733 ( -3.357 -0.000 12.419) 12.864 4.571 ( 6.028 0.000 1.744) 6.275 4.657 ( 2.442 0.000 2.981) 3.854 4.950 ( 3.515 0.000 -1.187) 3.710 5.338 ( 4.807 0.000 -1.678) 5.092 5.434 ( -2.104 -0.000 4.761) 5.205 5.576 ( 4.617 0.000 -8.788) 9.927 5.834 ( -8.108 -0.000 0.503) 8.124 6.000 ( -2.891 -0.000 -4.264) 5.151 6.166 ( 7.164 0.000 1.335) 7.287 6.209 ( 12.342 0.000 0.737) 12.364 6.382 ( 2.404 0.000 -3.326) 4.104 7.091 ( -13.105 -0.000 11.149) 17.205 7.256 ( 2.581 0.000 -9.727) 10.064 7.332 ( 1.437 0.000 -1.077) 1.796 8.152 ( -2.796 -0.000 14.948) 15.207 9.489 ( 9.394 0.000 -16.999) 19.422 16.378 ( 0.085 0.000 -0.223) 0.239 16.522 ( 0.979 0.000 0.438) 1.072 16.872 ( 3.189 0.000 -1.756) 3.640 17.014 ( 11.805 0.000 -4.931) 12.793 22.690 ( -0.832 -0.000 -0.466) 0.954 22.876 ( -5.001 -0.000 4.189) 6.524 26.616 ( -2.616 -0.000 0.084) 2.617 26.656 ( -0.534 -0.000 -0.329) 0.627 36.011 ( -5.289 -0.000 -1.058) 5.394 36.328 ( 7.097 0.000 2.973) 7.695 36.445 ( 2.180 0.000 1.615) 2.713 36.619 ( 33.870 0.000 -24.517) 41.812 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 16.613 -19.567 6.983) 26.601 1.300 ( 15.041 -10.743 18.058) 25.841 2.099 ( 39.063 -12.726 13.595) 43.275 2.579 ( 7.754 2.314 -4.562) 9.289 2.753 ( 5.087 -4.630 1.036) 6.956 2.997 ( -1.974 1.714 -7.671) 8.105 3.290 ( -11.955 -3.795 -4.459) 13.311 3.769 ( -1.686 -4.786 8.181) 9.627 4.677 ( 4.491 -4.944 -2.454) 7.116 4.731 ( 3.893 -4.109 4.238) 7.072 4.994 ( 4.416 -0.807 -2.031) 4.927 5.347 ( 2.810 2.294 2.758) 4.557 5.490 ( 2.131 -6.732 1.375) 7.194 5.617 ( 5.495 -0.210 -11.701) 12.929 5.831 ( -6.357 -6.278 2.797) 9.362 5.986 ( -2.769 -2.440 -1.904) 4.153 6.300 ( 7.173 -1.671 4.405) 8.582 6.369 ( 8.346 -4.435 -2.074) 9.676 6.464 ( 11.114 -4.954 -0.597) 12.183 6.881 ( -7.985 8.082 11.670) 16.287 7.260 ( 4.159 1.343 -9.834) 10.761 7.322 ( 6.187 1.867 -2.279) 6.853 8.096 ( -6.007 4.380 14.246) 16.070 9.457 ( -3.771 7.040 -11.291) 13.830 16.427 ( -1.003 -4.540 -0.392) 4.666 16.588 ( 1.216 -5.439 -0.408) 5.589 16.894 ( 5.242 1.713 -1.459) 5.705 17.129 ( 10.135 -0.973 -4.337) 11.067 22.677 ( -0.851 0.408 -0.613) 1.125 22.792 ( -1.750 3.788 4.934) 6.462 26.575 ( -2.545 1.196 -0.506) 2.858 26.635 ( -0.411 1.402 -0.612) 1.584 36.048 ( -5.505 -7.742 -1.443) 9.609 36.288 ( 3.816 5.385 2.291) 6.987 36.525 ( 6.544 0.329 5.075) 8.288 37.185 ( 15.905 -24.699 -32.844) 44.065 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 9.769 -7.163 21.649) 24.808 1.808 ( 13.990 -18.540 2.460) 23.356 2.548 ( 0.661 5.641 -1.631) 5.909 2.619 ( 9.779 -4.833 -2.601) 11.214 2.875 ( 10.949 -6.264 3.576) 13.112 3.018 ( 6.336 -1.805 -6.040) 8.938 3.315 ( -4.800 -9.202 2.976) 10.797 3.903 ( 0.208 -9.751 4.694) 10.823 4.814 ( 5.300 -2.925 2.486) 6.544 4.893 ( 3.801 -9.607 -0.391) 10.340 5.053 ( 3.435 -1.110 -3.884) 5.302 5.396 ( 4.859 -2.173 4.002) 6.660 5.612 ( 2.339 -0.975 -10.778) 11.071 5.725 ( 6.360 -8.669 -1.395) 10.841 5.862 ( -0.724 -2.398 1.762) 3.062 6.058 ( -2.772 -8.760 0.025) 9.188 6.284 ( 1.488 5.331 6.322) 8.403 6.627 ( 10.258 -10.768 -0.436) 14.879 6.712 ( 8.382 -5.606 -1.348) 10.174 6.776 ( 3.030 -0.982 2.811) 4.248 7.277 ( 6.121 0.667 -9.303) 11.156 7.362 ( 5.518 0.761 -1.744) 5.837 7.920 ( -7.794 9.453 12.124) 17.236 9.140 ( -13.781 15.184 -3.225) 20.757 16.504 ( -0.697 -4.894 0.029) 4.944 16.704 ( 1.496 -5.057 -1.235) 5.417 16.930 ( 5.503 0.088 0.031) 5.504 17.246 ( 7.839 -2.345 -3.969) 9.094 22.656 ( -0.652 0.804 -0.412) 1.114 22.740 ( -0.020 1.983 3.004) 3.600 26.526 ( -1.918 1.407 -0.729) 2.488 26.600 ( -0.419 1.676 -0.914) 1.955 36.115 ( 0.451 -1.615 -3.249) 3.656 36.275 ( -2.655 -3.730 4.239) 6.240 36.569 ( 7.391 3.918 5.948) 10.264 37.599 ( 3.233 -16.708 -23.577) 29.078 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 6.184 -6.599 18.116) 20.248 2.178 ( 4.000 -8.487 0.003) 9.382 2.427 ( -0.886 2.744 1.924) 3.467 2.652 ( 2.865 1.394 -3.176) 4.499 2.989 ( 2.166 0.938 -0.259) 2.374 3.152 ( 5.432 -2.703 -0.590) 6.096 3.526 ( 3.144 -11.304 1.631) 11.846 4.125 ( 1.919 -12.214 3.453) 12.837 4.897 ( 5.259 0.003 5.112) 7.334 5.082 ( 2.884 0.144 -1.111) 3.094 5.102 ( 1.553 -7.599 -1.905) 7.986 5.503 ( 3.547 -3.453 1.807) 5.270 5.559 ( -6.142 2.243 -4.848) 8.140 5.842 ( 7.007 1.240 -1.175) 7.212 6.033 ( 13.323 -2.859 -5.265) 14.608 6.177 ( 1.343 -0.467 2.717) 3.066 6.355 ( 2.841 -17.527 1.158) 17.793 6.740 ( 2.162 0.044 -4.137) 4.668 6.909 ( 8.054 -8.809 -0.212) 11.938 7.013 ( 4.746 -12.124 1.429) 13.098 7.328 ( 6.166 -0.019 -7.096) 9.401 7.388 ( 3.871 1.564 -1.017) 4.297 7.652 ( -8.449 12.349 8.825) 17.372 8.658 ( -18.447 18.387 1.726) 26.103 16.583 ( 0.525 -3.864 0.177) 3.903 16.778 ( 2.083 -1.383 -0.918) 2.663 16.998 ( 3.727 -1.512 0.753) 4.092 17.358 ( 4.315 -3.393 -3.656) 6.596 22.636 ( -0.366 0.801 -0.335) 0.943 22.720 ( 0.223 0.926 1.608) 1.869 26.485 ( -1.168 1.151 -0.478) 1.708 26.568 ( -0.387 1.092 -0.930) 1.486 36.100 ( 3.389 3.790 -2.493) 5.663 36.373 ( -4.745 -9.240 3.758) 11.046 36.559 ( 5.502 5.788 6.064) 10.027 37.822 ( -0.180 -11.147 -14.963) 18.659 ======================= Grid point 120 (46/227) ======================= q-point: ( 0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -5.830 4.838 9.565) 12.202 2.230 ( 1.211 -3.660 7.617) 8.537 2.513 ( 4.524 -3.636 2.691) 6.397 2.644 ( 2.819 3.888 -2.348) 5.346 3.018 ( 3.109 -2.971 -0.768) 4.368 3.215 ( 1.466 -1.054 3.750) 4.163 3.678 ( -2.010 -4.263 -2.942) 5.556 4.368 ( 2.903 -10.691 2.817) 11.431 4.942 ( 6.572 3.202 5.916) 9.405 5.076 ( 1.694 2.607 -1.954) 3.673 5.176 ( -0.833 0.289 -2.059) 2.240 5.432 ( -9.379 0.877 1.082) 9.482 5.575 ( 1.572 -1.131 -0.067) 1.938 5.886 ( 6.857 2.598 -0.962) 7.396 6.121 ( 7.568 2.768 0.615) 8.082 6.238 ( 4.598 -2.615 -3.016) 6.089 6.651 ( 2.194 -5.508 -9.607) 11.289 6.840 ( 8.034 -4.405 0.564) 9.180 7.075 ( 4.002 -2.293 -0.016) 4.613 7.261 ( -3.510 -7.822 -3.940) 9.435 7.320 ( 3.834 1.912 -3.969) 5.841 7.359 ( -7.937 10.527 4.851) 14.048 7.493 ( 6.497 -12.981 2.929) 14.809 8.147 ( -16.440 17.250 4.193) 24.196 16.651 ( 2.040 -2.148 0.099) 2.964 16.803 ( 2.370 0.853 -0.116) 2.521 17.043 ( 1.049 -0.163 0.546) 1.194 17.430 ( 0.046 -2.295 -3.010) 3.786 22.619 ( -0.199 0.632 -0.389) 0.768 22.712 ( 0.133 0.466 0.949) 1.066 26.462 ( -0.377 0.422 -0.224) 0.609 26.553 ( -0.348 -0.039 -0.600) 0.695 36.064 ( 2.685 3.104 -1.417) 4.341 36.485 ( -0.855 -4.458 2.499) 5.181 36.504 ( 0.002 3.671 6.203) 7.207 37.973 ( 0.241 -8.497 -9.716) 12.910 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -9.266 12.730 11.490) 19.492 2.369 ( 1.609 -5.814 7.708) 9.788 2.523 ( 1.443 10.734 -0.915) 10.869 2.622 ( 3.242 -3.475 1.342) 4.939 3.139 ( 2.949 -5.312 -0.178) 6.079 3.252 ( 1.102 -0.807 5.717) 5.878 3.629 ( -7.285 3.385 -3.642) 8.821 4.557 ( 3.345 -5.725 2.208) 6.988 4.925 ( 7.983 8.730 -0.625) 11.846 5.012 ( -3.591 2.601 0.281) 4.443 5.085 ( -0.758 6.857 0.082) 6.899 5.361 ( -5.225 0.156 3.110) 6.082 5.589 ( 0.603 0.302 -0.476) 0.825 5.859 ( 1.695 4.886 -2.460) 5.727 6.127 ( -5.528 -0.148 2.123) 5.923 6.292 ( 9.015 3.679 -4.417) 10.692 6.686 ( 0.034 4.571 -0.783) 4.638 6.816 ( -1.487 4.400 -4.086) 6.186 7.064 ( -0.899 6.316 -0.743) 6.423 7.142 ( -7.267 3.585 1.963) 8.337 7.218 ( -1.108 2.207 -2.749) 3.695 7.372 ( 1.112 -1.071 -4.125) 4.405 7.753 ( -7.013 12.770 5.050) 15.419 8.017 ( 11.338 -28.145 -0.042) 30.343 16.701 ( 3.487 -0.063 0.029) 3.487 16.804 ( 2.393 1.703 0.257) 2.948 17.021 ( -1.485 2.356 0.265) 2.797 17.419 ( -4.091 0.787 -2.452) 4.834 22.607 ( -0.072 0.457 -0.358) 0.585 22.708 ( -0.020 0.210 0.644) 0.678 26.463 ( 0.313 -0.623 -0.109) 0.706 26.561 ( -0.414 -1.242 -0.211) 1.326 36.047 ( 1.828 1.111 -0.491) 2.195 36.415 ( -1.443 4.751 4.364) 6.611 36.552 ( -1.192 -2.128 3.124) 3.963 38.107 ( 1.619 -6.923 -7.487) 10.325 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -6.896 14.393 19.886) 25.498 2.248 ( -0.807 18.046 0.096) 18.064 2.494 ( -0.787 -4.018 3.565) 5.429 2.714 ( 4.069 -1.676 1.258) 4.577 3.211 ( -4.705 0.030 -5.314) 7.098 3.262 ( -0.659 2.539 3.573) 4.433 3.432 ( -4.087 7.281 6.291) 10.454 4.635 ( 3.212 1.887 0.954) 3.845 4.765 ( -0.302 10.520 -11.413) 15.525 4.937 ( -0.273 6.136 6.511) 8.951 4.975 ( 1.931 4.318 4.462) 6.503 5.278 ( -2.340 5.809 1.697) 6.488 5.580 ( -1.551 0.506 0.567) 1.727 5.771 ( -2.641 2.476 -3.380) 4.953 5.960 ( -10.911 7.717 -2.682) 13.631 6.309 ( 7.627 3.509 -1.943) 8.618 6.489 ( -1.842 9.320 5.426) 10.940 6.799 ( -1.283 2.132 -3.982) 4.696 6.863 ( -4.100 9.837 -1.194) 10.724 7.084 ( -3.836 -1.855 -2.959) 5.188 7.097 ( -5.967 7.544 -0.512) 9.632 7.332 ( -0.924 5.461 -1.530) 5.747 7.618 ( 3.730 -0.195 4.140) 5.576 8.636 ( 12.367 -25.862 -3.031) 28.827 16.725 ( 5.026 2.407 -0.046) 5.573 16.794 ( 1.723 1.951 0.262) 2.616 16.937 ( -2.774 4.155 0.006) 4.995 17.310 ( -7.269 3.980 -2.320) 8.606 22.601 ( 0.167 0.246 -0.058) 0.303 22.706 ( -0.166 0.023 0.496) 0.524 26.489 ( 0.778 -1.696 -0.086) 1.868 26.585 ( -0.742 -1.999 -0.098) 2.134 36.064 ( 1.634 -1.018 0.374) 1.962 36.321 ( -4.888 2.749 3.377) 6.546 36.551 ( 0.696 2.416 2.819) 3.778 38.221 ( 1.518 -4.983 -8.431) 9.910 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.182 12.198 30.650) 33.009 1.840 ( -1.401 25.847 2.941) 26.052 2.518 ( -3.230 -0.374 -1.235) 3.478 2.751 ( 3.036 3.348 0.121) 4.522 2.812 ( -10.477 26.835 -5.603) 29.348 3.229 ( -3.423 1.013 3.274) 4.844 3.423 ( 0.913 -1.995 10.299) 10.531 4.467 ( -9.184 10.020 -13.099) 18.877 4.638 ( 8.351 8.306 3.883) 12.402 4.842 ( 1.766 5.120 -0.438) 5.433 4.966 ( 4.504 2.339 8.385) 9.801 5.121 ( -3.240 7.388 3.224) 8.688 5.524 ( -4.766 1.735 -1.038) 5.177 5.727 ( -2.994 6.736 -4.797) 8.795 5.730 ( -0.053 0.823 -3.253) 3.356 6.312 ( 1.284 1.528 0.244) 2.010 6.367 ( 4.001 7.465 2.068) 8.719 6.558 ( -6.995 11.965 0.130) 13.860 6.711 ( -1.601 9.501 0.593) 9.653 6.872 ( -7.584 8.745 4.131) 12.291 7.083 ( 1.687 -0.784 -11.763) 11.909 7.238 ( -2.141 1.564 -0.852) 2.785 7.766 ( 4.661 -7.758 7.618) 11.830 9.166 ( 9.383 -20.528 -5.631) 23.262 16.711 ( 4.535 5.305 -0.021) 6.979 16.762 ( 0.493 3.136 -0.278) 3.186 16.844 ( -0.652 2.845 -0.421) 2.948 17.132 ( -8.545 5.594 -2.569) 10.531 22.605 ( 0.776 -0.273 0.888) 1.211 22.706 ( -0.278 -0.110 0.424) 0.519 26.536 ( 0.910 -2.423 -0.079) 2.589 26.611 ( -1.320 -2.055 -0.405) 2.475 36.118 ( 2.537 -2.415 1.177) 3.695 36.229 ( -6.360 1.393 2.424) 6.947 36.499 ( 1.180 4.661 2.475) 5.408 38.258 ( -2.800 -0.651 -14.501) 14.784 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.751 7.275 36.998) 38.306 1.336 ( 2.305 29.922 7.950) 31.046 2.044 ( -6.605 43.693 1.236) 44.207 2.460 ( -1.785 2.707 -4.836) 5.822 2.705 ( 4.214 7.185 -1.244) 8.422 3.179 ( -5.892 -0.912 0.613) 5.993 3.500 ( -2.052 -4.883 9.084) 10.515 4.139 ( -10.900 11.448 -10.559) 19.009 4.596 ( 8.523 7.250 2.893) 11.558 4.767 ( 1.509 6.238 1.381) 6.565 4.932 ( 0.440 4.457 0.043) 4.479 5.110 ( 6.581 -4.064 10.697) 13.200 5.458 ( 2.402 2.701 -5.381) 6.483 5.596 ( -0.490 4.866 -3.361) 5.934 5.746 ( 4.248 -0.175 -3.036) 5.225 6.219 ( 0.636 9.919 4.192) 10.787 6.297 ( -3.491 3.153 -2.194) 5.190 6.317 ( 3.929 10.297 0.419) 11.029 6.606 ( 0.979 3.739 0.570) 3.907 6.626 ( -5.588 5.592 6.298) 10.108 7.107 ( 4.108 -0.393 -11.217) 11.952 7.222 ( -2.097 -1.925 -1.701) 3.317 7.969 ( 2.205 -8.075 11.522) 14.242 9.517 ( 1.890 -11.978 -8.954) 15.074 16.625 ( -0.411 5.910 0.144) 5.926 16.686 ( 0.113 5.655 -3.134) 6.467 16.833 ( 4.048 1.017 -0.695) 4.231 16.951 ( -5.427 4.784 -1.902) 7.481 22.642 ( 2.050 -2.322 3.005) 4.315 22.707 ( -0.153 -0.267 0.618) 0.690 26.589 ( 0.568 -2.422 0.025) 2.488 26.627 ( -1.730 -1.637 -0.904) 2.547 36.148 ( -4.851 0.792 0.787) 4.978 36.206 ( 4.588 -2.057 2.870) 5.790 36.427 ( -0.698 3.793 1.963) 4.328 38.039 ( -14.885 14.915 -29.805) 36.502 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 28.520 0.000 -2.341) 28.615 1.422 ( 14.911 0.000 20.845) 25.629 2.465 ( 41.689 0.000 13.279) 43.753 2.651 ( 6.710 0.000 -7.863) 10.337 2.746 ( -2.708 -0.000 2.223) 3.504 3.025 ( 5.772 0.000 -7.070) 9.127 3.100 ( -12.259 -0.000 -4.557) 13.079 3.731 ( -1.327 -0.000 11.161) 11.240 4.655 ( 3.018 0.000 -2.806) 4.121 4.762 ( 5.990 0.000 2.494) 6.489 5.027 ( 3.886 0.000 -0.130) 3.888 5.382 ( -2.068 -0.000 2.161) 2.992 5.462 ( 4.476 0.000 1.950) 4.883 5.605 ( -2.985 -0.000 -12.789) 13.133 5.701 ( -0.113 -0.000 2.506) 2.508 5.981 ( 2.716 0.000 0.263) 2.729 6.376 ( 11.502 0.000 2.565) 11.785 6.463 ( 5.903 0.000 -3.186) 6.708 6.520 ( 15.944 0.000 -0.483) 15.951 6.866 ( -9.945 -0.000 11.318) 15.067 7.307 ( 5.470 0.000 -10.076) 11.465 7.375 ( 3.311 0.000 -1.086) 3.484 8.082 ( -8.270 -0.000 14.153) 16.392 9.484 ( -5.280 -0.000 -10.808) 12.029 16.381 ( 0.136 0.000 0.224) 0.262 16.548 ( 1.342 0.000 0.114) 1.347 16.981 ( 7.810 0.000 -3.658) 8.624 17.217 ( 9.212 0.000 -2.938) 9.669 22.670 ( -0.791 -0.000 -0.888) 1.189 22.807 ( -2.926 -0.000 4.684) 5.523 26.558 ( -2.505 -0.000 -0.728) 2.608 26.640 ( -0.860 -0.000 -0.486) 0.988 35.890 ( -5.743 -0.000 -0.886) 5.811 36.480 ( 0.655 0.000 1.373) 1.521 36.509 ( 8.489 0.000 5.823) 10.294 37.164 ( 24.926 0.000 -29.848) 38.887 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 16.134 -3.994 12.071) 20.542 1.690 ( 18.490 -11.931 4.350) 22.432 2.627 ( -4.089 5.093 -2.059) 6.848 2.694 ( 3.854 1.271 -7.774) 8.770 2.937 ( 22.069 -4.625 9.065) 24.303 3.078 ( 3.033 -0.864 -4.800) 5.743 3.102 ( 4.605 -8.681 3.264) 10.355 3.782 ( -0.405 -5.077 8.905) 10.259 4.758 ( 4.186 -8.030 -2.925) 9.516 4.846 ( 6.045 -1.591 0.703) 6.290 5.072 ( 3.450 -0.716 -0.830) 3.619 5.408 ( 1.692 -2.916 2.380) 4.127 5.515 ( -0.477 -6.376 -0.746) 6.437 5.636 ( -0.665 -2.787 -8.783) 9.238 5.723 ( -3.370 -5.608 3.239) 7.301 6.036 ( 8.528 0.592 -0.969) 8.603 6.450 ( 6.723 5.279 1.298) 8.646 6.586 ( 11.879 -6.652 0.555) 13.626 6.723 ( 10.412 -3.472 -1.624) 11.095 6.786 ( -2.682 0.165 5.230) 5.880 7.345 ( 6.855 0.786 -9.348) 11.619 7.415 ( 4.729 0.124 -1.197) 4.880 7.975 ( -9.371 4.261 12.220) 15.979 9.260 ( -12.559 12.446 -4.640) 18.280 16.420 ( 0.037 -3.815 0.339) 3.830 16.612 ( 1.178 -5.121 -0.464) 5.275 17.037 ( 8.629 2.511 -2.985) 9.469 17.304 ( 7.808 -0.079 -2.157) 8.101 22.658 ( -0.647 0.328 -0.928) 1.178 22.773 ( -1.347 1.517 3.566) 4.103 26.525 ( -1.736 0.799 -0.991) 2.152 26.618 ( -0.968 1.150 -0.577) 1.610 35.918 ( -5.825 -8.909 -0.777) 10.673 36.386 ( 3.945 7.361 0.542) 8.369 36.664 ( 4.981 -2.288 7.910) 9.624 37.415 ( 14.218 -7.724 -24.125) 29.049 ======================= Grid point 129 (53/227) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 9.664 -2.954 14.511) 17.683 2.079 ( 10.618 -9.876 -1.108) 14.543 2.484 ( -1.842 4.291 0.107) 4.671 2.690 ( 1.121 0.253 -5.068) 5.196 3.045 ( 2.769 2.576 0.998) 3.911 3.149 ( 0.688 -4.487 3.833) 5.941 3.421 ( 14.211 -7.312 2.245) 16.138 3.940 ( 0.932 -10.510 6.360) 12.320 4.924 ( 3.280 -1.829 -1.451) 4.026 4.980 ( 4.455 -9.240 -1.214) 10.329 5.133 ( 6.377 -0.675 0.547) 6.436 5.483 ( 2.784 -2.690 -0.168) 3.875 5.554 ( -5.045 3.827 -3.052) 7.029 5.820 ( 1.882 -25.163 0.162) 25.234 5.855 ( 1.335 -6.925 -2.272) 7.409 6.129 ( 10.058 -0.734 -1.925) 10.267 6.407 ( 7.546 7.383 2.046) 10.753 6.748 ( 0.785 -0.739 -2.132) 2.389 6.848 ( 10.124 -7.994 -0.542) 12.911 6.921 ( 4.858 -5.504 1.576) 7.508 7.384 ( 4.928 0.494 -6.161) 7.905 7.453 ( 5.486 1.889 -2.333) 6.253 7.782 ( -8.057 8.666 8.749) 14.716 8.803 ( -17.996 18.918 0.962) 26.128 16.508 ( 0.692 -5.221 0.448) 5.286 16.725 ( 0.810 -5.673 -1.044) 5.824 17.069 ( 7.411 2.749 -1.302) 8.011 17.371 ( 5.207 -0.105 -2.077) 5.607 22.642 ( -0.427 0.553 -0.798) 1.060 22.744 ( -0.374 1.241 2.243) 2.591 26.493 ( -0.847 1.041 -0.859) 1.593 26.583 ( -0.953 1.381 -0.637) 1.794 36.052 ( -4.144 -11.069 -1.813) 11.958 36.311 ( 3.635 5.413 1.119) 6.616 36.714 ( 3.689 3.360 8.969) 10.264 37.627 ( 5.643 -8.559 -16.883) 19.752 ======================= Grid point 130 (54/227) ======================= q-point: ( 0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 2.229 2.428 8.134) 8.776 2.204 ( 0.866 -1.563 6.348) 6.595 2.509 ( 5.031 -2.344 1.928) 5.875 2.716 ( 3.154 -1.194 -2.781) 4.371 3.013 ( 1.362 1.873 -2.152) 3.162 3.230 ( 1.338 -2.274 7.819) 8.252 3.595 ( 2.559 -2.690 -1.756) 4.107 4.181 ( 1.557 -12.823 4.432) 13.656 4.966 ( -0.461 -1.794 -1.447) 2.351 5.139 ( 1.574 -4.750 0.433) 5.022 5.210 ( 10.211 3.107 0.008) 10.674 5.407 ( -6.153 4.228 1.639) 7.643 5.559 ( 1.518 -2.724 -0.339) 3.137 5.942 ( 1.483 -1.633 -3.743) 4.344 6.246 ( 7.701 0.944 -0.920) 7.813 6.330 ( 13.505 -6.342 -3.061) 15.231 6.426 ( 4.778 -14.926 -4.582) 16.328 6.815 ( 5.577 -5.230 -0.629) 7.671 7.026 ( -3.520 -6.391 -0.691) 7.328 7.062 ( 5.590 -5.058 0.191) 7.541 7.397 ( -2.464 1.707 1.248) 3.247 7.427 ( 4.644 4.511 -5.276) 8.352 7.563 ( -1.599 9.499 4.464) 10.617 8.263 ( -19.758 17.787 4.502) 26.964 16.615 ( 2.006 -4.714 0.388) 5.137 16.811 ( 1.005 -2.803 -0.878) 3.104 17.084 ( 4.207 2.373 -0.257) 4.837 17.407 ( 1.673 -0.137 -2.043) 2.644 22.627 ( -0.216 0.600 -0.634) 0.899 22.727 ( -0.106 0.812 1.299) 1.535 26.470 ( -0.070 0.826 -0.499) 0.967 26.552 ( -0.884 0.745 -0.528) 1.271 36.159 ( 2.621 -0.081 -5.956) 6.508 36.312 ( -1.614 -5.573 5.596) 8.061 36.659 ( 1.371 6.959 8.478) 11.054 37.797 ( 2.068 -8.925 -11.265) 14.520 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -1.333 11.401 9.955) 15.194 2.295 ( 0.675 -5.026 9.119) 10.434 2.593 ( 2.353 -2.060 0.893) 3.253 2.725 ( 4.362 4.992 0.887) 6.688 3.040 ( 0.592 -4.153 -5.478) 6.900 3.294 ( 2.703 -0.762 10.009) 10.396 3.589 ( -4.250 1.138 -3.813) 5.822 4.421 ( 0.792 -11.267 1.840) 11.444 4.966 ( -3.629 -0.167 -3.189) 4.834 5.161 ( 4.216 8.087 -1.968) 9.330 5.195 ( 0.642 1.172 4.033) 4.248 5.358 ( 3.836 1.279 5.055) 6.473 5.603 ( 0.840 -0.826 -0.717) 1.379 5.934 ( -1.756 1.686 -5.130) 5.679 6.186 ( 3.356 9.423 0.597) 10.021 6.458 ( 13.026 2.576 -3.199) 13.658 6.691 ( 4.940 -5.260 -6.886) 9.975 6.880 ( -6.578 4.660 0.840) 8.105 7.139 ( 2.576 -1.177 -0.384) 2.858 7.175 ( -3.046 6.079 -2.153) 7.132 7.271 ( -0.013 -3.216 -2.197) 3.895 7.354 ( 0.662 4.604 -3.784) 5.996 7.619 ( 3.545 -19.092 5.657) 20.226 7.844 ( -13.318 9.158 5.296) 17.008 16.714 ( 3.357 -2.961 0.166) 4.479 16.847 ( 1.336 -0.167 -0.259) 1.371 17.062 ( 0.749 3.086 -0.089) 3.177 17.396 ( -1.763 1.177 -1.892) 2.841 22.615 ( -0.048 0.514 -0.446) 0.682 22.716 ( -0.114 0.508 0.754) 0.916 26.462 ( 0.479 0.166 -0.201) 0.545 26.539 ( -0.803 -0.349 -0.329) 0.935 36.133 ( 4.438 4.303 -4.151) 7.446 36.429 ( -3.408 -5.835 5.178) 8.513 36.545 ( -0.443 5.977 6.744) 9.022 37.959 ( 1.430 -8.878 -8.395) 12.302 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.904 14.881 18.470) 23.736 2.394 ( -1.425 -4.462 5.126) 6.943 2.546 ( 1.736 10.670 0.007) 10.810 2.731 ( 3.758 -1.475 3.479) 5.329 3.103 ( -3.128 -4.175 -6.429) 8.280 3.316 ( -0.651 3.120 4.105) 5.197 3.499 ( -1.902 2.646 2.282) 3.978 4.582 ( -1.887 -6.072 -3.513) 7.265 4.869 ( -2.952 4.577 -6.021) 8.118 5.073 ( 3.793 6.856 8.034) 11.222 5.161 ( 2.824 4.996 3.337) 6.639 5.371 ( 3.828 3.918 3.033) 6.261 5.599 ( -0.749 1.754 -1.020) 2.162 5.830 ( -1.487 5.569 -4.902) 7.567 6.013 ( -1.958 10.037 -1.709) 10.368 6.486 ( 7.107 6.698 -0.884) 9.806 6.628 ( -4.678 8.494 4.343) 10.625 6.810 ( -0.736 1.663 -4.758) 5.093 6.919 ( -5.383 4.067 -3.806) 7.746 7.109 ( 1.339 6.259 -0.993) 6.478 7.200 ( 0.013 7.286 -2.534) 7.714 7.379 ( 0.697 0.075 -1.656) 1.799 7.662 ( -3.419 2.410 4.044) 5.818 8.193 ( 4.759 -32.116 1.140) 32.487 16.787 ( 3.787 -0.889 -0.036) 3.890 16.847 ( 0.849 1.370 0.086) 1.614 16.992 ( -0.975 4.307 -0.107) 4.417 17.318 ( -3.417 4.005 -1.980) 5.624 22.607 ( 0.156 0.302 -0.130) 0.364 22.708 ( -0.189 0.278 0.460) 0.570 26.474 ( 0.686 -0.812 -0.010) 1.063 26.545 ( -0.809 -1.302 -0.332) 1.568 36.110 ( 4.377 2.433 -2.525) 5.608 36.352 ( -5.681 5.559 5.677) 9.768 36.560 ( 0.312 -2.207 4.262) 4.809 38.106 ( 1.007 -7.213 -8.442) 11.149 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 5.081 14.432 27.545) 31.509 2.276 ( 2.703 20.072 1.999) 20.351 2.452 ( -3.844 -2.625 0.785) 4.720 2.801 ( 1.423 -1.848 3.353) 4.085 3.035 ( -4.709 8.107 -9.780) 13.548 3.198 ( -5.228 2.953 -1.957) 6.315 3.487 ( 3.157 2.650 10.658) 11.427 4.505 ( -8.052 6.586 -11.155) 15.253 4.824 ( 5.076 1.945 -0.673) 5.478 4.977 ( 1.541 7.713 7.498) 10.867 5.125 ( 7.628 5.370 5.127) 10.645 5.265 ( -1.900 9.612 4.496) 10.780 5.525 ( -1.645 2.847 -1.506) 3.617 5.760 ( 3.827 3.384 -1.701) 5.385 5.815 ( -2.183 6.896 -6.002) 9.399 6.352 ( -4.566 5.427 3.711) 8.004 6.549 ( 7.235 5.675 -2.725) 9.590 6.631 ( -10.206 5.641 1.964) 11.826 6.867 ( 2.455 7.774 -2.118) 8.423 6.999 ( -0.689 8.175 0.676) 8.232 7.084 ( 3.382 2.256 -8.203) 9.156 7.309 ( -0.603 6.002 -1.494) 6.214 7.694 ( 0.968 -5.137 6.649) 8.458 8.777 ( 1.805 -27.983 -2.030) 28.115 16.809 ( 0.543 2.167 -0.129) 2.238 16.816 ( -0.784 2.090 0.126) 2.235 16.905 ( 0.864 4.076 -0.046) 4.167 17.188 ( -0.859 6.761 -2.715) 7.337 22.609 ( 0.496 -0.156 0.490) 0.715 22.703 ( -0.236 0.083 0.320) 0.406 26.504 ( 0.479 -1.833 0.141) 1.900 26.563 ( -0.952 -1.683 -0.749) 2.074 36.135 ( 4.698 -0.211 -1.122) 4.835 36.212 ( -5.939 3.473 4.167) 8.044 36.574 ( 0.157 2.004 3.950) 4.432 38.184 ( -1.415 -2.720 -11.880) 12.269 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 8.896 10.501 33.260) 35.995 1.893 ( 3.911 25.648 5.679) 26.559 2.432 ( -1.616 1.029 -4.264) 4.675 2.695 ( 2.257 24.941 -7.076) 26.024 2.832 ( 1.646 0.984 3.017) 3.575 3.100 ( -6.922 0.803 -3.563) 7.827 3.478 ( 0.178 2.149 9.574) 9.814 4.229 ( -8.020 11.440 -8.673) 16.444 4.785 ( 4.297 6.830 -1.314) 8.176 4.936 ( 5.612 3.831 4.432) 8.113 5.042 ( -2.112 9.343 0.632) 9.600 5.173 ( 8.178 1.838 10.916) 13.763 5.497 ( 3.534 0.457 -2.005) 4.088 5.690 ( 1.774 4.548 -8.569) 9.863 5.780 ( 3.727 0.444 -1.324) 3.980 6.263 ( -4.520 0.285 4.148) 6.142 6.400 ( -5.278 7.996 2.834) 9.991 6.549 ( 7.983 6.875 -1.982) 10.720 6.709 ( 0.961 8.247 1.124) 8.378 6.779 ( -0.330 14.995 1.478) 15.071 7.128 ( 6.017 -1.573 -11.071) 12.698 7.221 ( 0.940 2.635 -2.196) 3.557 7.842 ( -0.991 -8.710 10.661) 13.802 9.201 ( -4.023 -20.338 -4.575) 21.231 16.710 ( -4.473 5.635 -0.148) 7.196 16.752 ( -0.934 3.170 -0.571) 3.354 16.878 ( 1.401 1.919 0.915) 2.546 17.079 ( 6.685 7.175 -4.385) 10.742 22.629 ( 0.855 -1.212 1.504) 2.113 22.702 ( -0.105 -0.154 0.468) 0.504 26.545 ( -0.458 -2.425 0.345) 2.492 26.581 ( -0.756 -1.605 -1.488) 2.315 36.111 ( -4.438 0.771 1.667) 4.803 36.231 ( 6.840 -2.442 1.359) 7.389 36.506 ( -1.556 5.329 3.406) 6.513 38.091 ( -6.133 7.097 -19.727) 21.843 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 11.950 0.000 16.610) 20.462 1.782 ( 24.502 0.000 -3.894) 24.810 2.621 ( -5.990 -0.000 -2.823) 6.622 2.693 ( -0.719 -0.000 -9.473) 9.500 2.934 ( -2.991 -0.000 5.970) 6.677 3.124 ( 5.191 0.000 -0.417) 5.208 3.290 ( 30.028 0.000 6.593) 30.744 3.741 ( -1.399 -0.000 9.625) 9.726 4.700 ( 2.522 0.000 -3.133) 4.022 4.908 ( 7.560 0.000 -0.513) 7.577 5.085 ( 1.192 0.000 -0.469) 1.281 5.331 ( -3.022 -0.000 1.396) 3.328 5.512 ( -1.647 -0.000 -7.823) 7.994 5.544 ( 1.753 0.000 2.569) 3.110 5.675 ( -2.207 -0.000 2.327) 3.207 6.168 ( 14.010 0.000 -2.559) 14.242 6.580 ( 5.398 0.000 -1.020) 5.493 6.630 ( 11.162 0.000 2.702) 11.485 6.746 ( -4.148 -0.000 1.704) 4.484 6.816 ( 11.540 0.000 -1.034) 11.586 7.406 ( 5.919 0.000 -7.704) 9.715 7.472 ( 6.388 0.000 -1.346) 6.529 7.939 ( -7.906 -0.000 10.411) 13.072 9.227 ( -16.113 -0.000 -3.375) 16.463 16.383 ( -0.078 -0.000 0.717) 0.721 16.576 ( 1.363 0.000 -0.331) 1.403 17.152 ( 9.229 0.000 -4.045) 10.077 17.383 ( 7.178 0.000 -0.938) 7.239 22.653 ( -0.483 -0.000 -1.098) 1.200 22.776 ( -1.546 -0.000 3.138) 3.498 26.516 ( -1.058 -0.000 -1.093) 1.521 26.616 ( -1.269 -0.000 -0.429) 1.339 35.776 ( -4.717 -0.000 -0.158) 4.720 36.485 ( -0.418 -0.000 0.476) 0.634 36.700 ( 7.157 0.000 6.004) 9.342 37.484 ( 14.952 0.000 -18.672) 23.921 ======================= Grid point 139 (60/227) ======================= q-point: ( 0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 9.179 -0.106 12.537) 15.539 2.075 ( 16.801 -5.556 -2.607) 17.887 2.530 ( -2.052 2.836 -0.647) 3.560 2.665 ( -2.314 -0.617 -5.662) 6.148 3.005 ( -1.874 -6.678 7.803) 10.440 3.140 ( 2.429 1.655 -0.623) 3.005 3.572 ( 19.794 1.004 3.930) 20.205 3.799 ( -0.894 -6.377 8.315) 10.517 4.836 ( 4.148 -10.695 -2.795) 11.807 4.953 ( 3.916 1.787 -3.979) 5.861 5.148 ( 4.430 -4.467 1.105) 6.387 5.399 ( -3.391 -10.182 1.641) 10.857 5.500 ( 0.384 -4.044 -5.389) 6.749 5.559 ( -3.424 1.380 1.153) 3.867 5.724 ( 0.973 -7.020 2.050) 7.378 6.295 ( 15.721 2.591 -3.135) 16.238 6.585 ( 5.511 3.910 0.225) 6.761 6.717 ( -1.555 -1.133 -1.188) 2.261 6.821 ( 9.069 -6.525 0.837) 11.204 6.923 ( 6.242 -0.854 -0.771) 6.348 7.423 ( 0.784 1.098 -3.314) 3.578 7.543 ( 7.319 0.188 -2.772) 7.828 7.849 ( -3.067 5.284 6.146) 8.666 8.914 ( -19.149 12.949 -0.178) 23.117 16.423 ( -0.025 -4.159 0.776) 4.231 16.632 ( 0.888 -4.466 -0.687) 4.605 17.209 ( 8.236 3.075 -3.127) 9.331 17.439 ( 5.394 1.129 -0.540) 5.538 22.644 ( -0.300 0.274 -1.071) 1.146 22.759 ( -0.991 0.723 2.290) 2.598 26.501 ( -0.141 0.637 -0.967) 1.166 26.592 ( -1.287 0.970 -0.383) 1.657 35.813 ( -3.911 -8.487 0.105) 9.345 36.442 ( 1.565 3.894 -0.725) 4.259 36.781 ( 3.173 -0.182 7.186) 7.858 37.605 ( 10.580 -1.256 -13.452) 17.161 ======================= Grid point 140 (61/227) ======================= q-point: ( 0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 4.889 0.597 7.416) 8.902 2.228 ( 4.152 0.830 4.022) 5.840 2.537 ( 4.550 -0.766 2.274) 5.144 2.671 ( 0.121 -3.535 -3.891) 5.259 3.060 ( -1.856 0.451 3.891) 4.335 3.177 ( 1.555 -3.990 4.172) 5.978 3.662 ( 6.693 3.764 0.107) 7.680 3.978 ( 0.608 -11.345 6.486) 13.082 4.944 ( 0.810 0.211 -4.469) 4.547 5.052 ( 2.450 -7.284 -1.278) 7.790 5.303 ( 7.596 -4.275 3.132) 9.262 5.427 ( -4.167 2.876 -1.564) 5.299 5.517 ( -1.313 -1.556 1.508) 2.534 5.789 ( -1.821 -19.135 -5.787) 20.074 5.924 ( 3.617 -18.529 0.353) 18.882 6.401 ( 14.969 2.984 -2.839) 15.525 6.581 ( 8.414 4.068 0.008) 9.346 6.759 ( 0.188 -4.771 -2.064) 5.202 6.959 ( 0.713 0.474 -1.589) 1.805 7.016 ( 4.347 -5.920 1.119) 7.429 7.388 ( -3.208 0.318 -0.207) 3.230 7.576 ( 5.656 3.953 -4.100) 8.026 7.708 ( 0.535 9.423 3.196) 9.964 8.410 ( -19.625 19.314 2.698) 27.667 16.525 ( 0.551 -6.396 0.663) 6.454 16.731 ( 0.136 -5.504 -0.978) 5.591 17.206 ( 5.645 4.737 -1.792) 7.584 17.452 ( 3.022 2.115 -0.457) 3.717 22.634 ( -0.143 0.456 -0.914) 1.031 22.741 ( -0.561 0.771 1.458) 1.742 26.488 ( 0.601 0.962 -0.605) 1.286 26.559 ( -1.109 1.157 -0.326) 1.636 35.974 ( -2.534 -12.325 -0.401) 12.589 36.389 ( 3.383 4.758 -1.035) 5.929 36.776 ( -0.839 3.744 8.752) 9.556 37.709 ( 6.549 -2.988 -9.605) 12.003 ======================= Grid point 141 (62/227) ======================= q-point: ( 0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 4.595 6.777 6.928) 10.725 2.241 ( -2.029 -1.405 10.551) 10.835 2.584 ( 1.161 -1.229 2.940) 3.391 2.766 ( 2.847 -3.327 -2.486) 5.035 3.026 ( 0.019 1.549 -1.556) 2.195 3.282 ( 1.040 -4.316 9.263) 10.272 3.613 ( 0.209 4.594 -3.171) 5.586 4.208 ( -0.148 -12.429 3.092) 12.809 4.939 ( -0.503 0.248 -3.088) 3.139 5.150 ( -0.626 -3.369 0.991) 3.567 5.316 ( -0.495 5.497 0.913) 5.595 5.437 ( 5.918 -0.663 4.124) 7.243 5.547 ( -2.371 -4.102 -2.512) 5.362 5.898 ( -1.999 -2.413 -5.729) 6.530 6.433 ( 7.473 2.643 -3.368) 8.612 6.481 ( 7.005 -19.805 -2.668) 21.176 6.636 ( 11.482 1.039 -0.714) 11.551 6.824 ( -7.788 -1.888 -0.485) 8.028 6.995 ( 5.377 -9.064 -2.141) 10.754 7.126 ( -0.102 -4.663 0.132) 4.666 7.337 ( -2.199 5.921 -1.976) 6.619 7.476 ( 1.412 8.504 -3.712) 9.385 7.572 ( -0.179 5.609 4.394) 7.127 7.899 ( -15.242 14.652 4.498) 21.616 16.653 ( 1.114 -6.326 0.416) 6.437 16.814 ( -0.156 -3.665 -0.837) 3.762 17.153 ( 2.132 5.219 -1.034) 5.731 17.428 ( 1.085 2.746 -0.412) 2.981 22.623 ( -0.031 0.493 -0.692) 0.850 22.725 ( -0.374 0.622 0.865) 1.129 26.478 ( 0.877 0.861 -0.193) 1.244 26.532 ( -0.709 0.568 -0.260) 0.945 36.160 ( 0.159 -8.232 -4.151) 9.221 36.351 ( 2.817 2.014 2.904) 4.519 36.666 ( -3.719 7.069 8.902) 11.960 37.830 ( 4.160 -5.958 -7.343) 10.331 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 6.086 12.920 15.777) 21.281 2.284 ( -5.000 -5.331 7.486) 10.462 2.630 ( 0.535 -1.997 2.219) 3.032 2.786 ( 0.544 3.351 1.690) 3.792 3.011 ( -1.620 -1.335 -6.168) 6.515 3.358 ( -0.383 -0.041 8.785) 8.794 3.531 ( 1.207 2.507 -3.402) 4.395 4.411 ( -1.204 -10.011 -1.330) 10.170 4.899 ( -1.314 2.547 -1.607) 3.285 5.176 ( -1.786 -0.147 2.053) 2.725 5.244 ( 2.880 3.796 4.104) 6.289 5.444 ( -2.250 1.502 2.043) 3.390 5.595 ( 0.345 -1.257 -3.127) 3.387 5.880 ( 0.747 1.581 -5.666) 5.930 6.303 ( 5.212 15.538 1.446) 16.453 6.626 ( 1.998 3.354 -0.734) 3.973 6.688 ( -4.264 2.695 -1.239) 5.194 6.831 ( 2.880 -0.474 -4.415) 5.292 7.036 ( -1.437 14.080 -4.087) 14.731 7.190 ( 0.217 0.954 -0.709) 1.208 7.325 ( 0.075 -4.143 -4.082) 5.816 7.355 ( 4.354 0.674 -2.361) 4.999 7.611 ( -6.179 -6.322 3.237) 9.414 7.701 ( -1.785 -13.262 7.183) 15.188 16.760 ( 0.064 -4.327 0.216) 4.333 16.852 ( -0.281 -0.902 -0.477) 1.058 17.069 ( -0.073 4.820 -0.688) 4.870 17.378 ( 1.048 3.833 -0.739) 4.041 22.614 ( 0.076 0.354 -0.402) 0.541 22.713 ( -0.302 0.448 0.517) 0.748 26.476 ( 0.546 0.229 0.174) 0.617 26.525 ( -0.127 -0.257 -0.385) 0.480 36.205 ( 3.875 2.535 -6.196) 7.735 36.384 ( -3.222 1.052 6.353) 7.201 36.535 ( -2.258 1.129 7.470) 7.885 37.976 ( 2.824 -7.120 -7.006) 10.380 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 7.296 14.374 23.522) 28.515 2.339 ( -5.244 -5.255 3.366) 8.151 2.603 ( 3.164 11.623 2.664) 12.337 2.723 ( -5.978 -3.201 3.025) 7.425 2.999 ( -4.515 -1.538 -7.064) 8.524 3.281 ( -0.113 6.597 -2.612) 7.096 3.565 ( 4.651 -0.147 5.241) 7.009 4.489 ( -3.279 -0.399 -6.681) 7.453 4.859 ( 1.263 0.201 1.381) 1.882 5.106 ( -3.666 4.876 5.319) 8.094 5.243 ( 0.476 0.851 1.007) 1.401 5.385 ( 1.725 3.962 5.227) 6.781 5.571 ( 0.089 2.480 -2.848) 3.778 5.855 ( 2.230 2.309 -5.456) 6.330 6.039 ( 2.523 16.741 1.032) 16.962 6.457 ( -3.357 11.705 1.760) 12.303 6.609 ( -7.970 3.308 0.962) 8.682 6.694 ( 3.705 4.528 -6.544) 8.778 7.004 ( 8.755 3.107 -4.106) 10.157 7.124 ( -0.020 4.309 -0.716) 4.368 7.207 ( 1.864 7.712 -3.340) 8.608 7.405 ( 2.466 3.578 -0.035) 4.346 7.611 ( -3.350 -3.639 3.546) 6.086 8.217 ( -2.797 -32.543 1.817) 32.714 16.794 ( -3.567 -1.112 0.225) 3.743 16.836 ( -1.593 1.523 -0.363) 2.234 16.994 ( 1.383 3.819 -0.091) 4.063 17.319 ( 4.075 5.217 -1.862) 6.877 22.612 ( 0.229 -0.006 0.011) 0.229 22.705 ( -0.231 0.265 0.355) 0.499 26.483 ( -0.105 -0.773 0.417) 0.884 26.534 ( 0.215 -0.785 -0.807) 1.146 36.192 ( 2.389 2.229 -2.682) 4.227 36.247 ( -3.931 5.369 4.458) 8.010 36.583 ( 0.092 -2.009 5.617) 5.966 38.094 ( 0.855 -4.557 -8.820) 9.965 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 8.243 12.498 27.715) 31.500 2.309 ( -2.471 12.344 2.548) 12.844 2.406 ( 1.609 3.036 1.165) 3.628 2.751 ( -6.819 -5.199 3.142) 9.133 2.936 ( -2.665 2.888 -6.778) 7.835 3.153 ( 3.285 8.221 -7.152) 11.380 3.585 ( 3.248 4.537 6.867) 8.848 4.346 ( -3.736 9.279 -5.665) 11.496 4.881 ( 0.098 1.794 -3.813) 4.215 5.011 ( -1.721 0.812 12.408) 12.553 5.186 ( 0.427 5.486 -1.759) 5.776 5.375 ( 9.743 6.342 8.915) 14.650 5.548 ( 2.764 0.729 -2.028) 3.505 5.786 ( 2.054 5.379 -9.277) 10.918 5.849 ( 1.270 5.437 -0.068) 5.584 6.266 ( -2.621 5.432 1.111) 6.132 6.464 ( -3.152 5.915 3.036) 7.358 6.689 ( 5.112 1.791 -5.710) 7.870 6.917 ( 2.631 10.822 0.769) 11.164 7.065 ( 6.281 9.537 0.178) 11.421 7.168 ( 6.984 0.314 -7.993) 10.619 7.301 ( 0.554 6.871 -1.787) 7.121 7.681 ( -4.989 -7.310 8.205) 12.068 8.705 ( -7.854 -26.736 -0.687) 27.875 16.727 ( -5.645 2.741 0.028) 6.275 16.782 ( -1.457 1.768 -0.196) 2.299 16.956 ( 2.768 3.326 0.764) 4.394 17.273 ( 7.427 6.089 -3.603) 10.258 22.621 ( 0.334 -0.635 0.522) 0.887 22.701 ( -0.052 0.020 0.435) 0.438 26.501 ( -0.965 -1.602 0.401) 1.913 26.552 ( 0.296 -1.060 -1.325) 1.722 36.096 ( -4.546 2.474 2.586) 5.786 36.264 ( 6.370 -1.582 -0.421) 6.577 36.579 ( -1.256 3.138 4.825) 5.891 38.098 ( -2.236 2.014 -12.883) 13.230 ======================= Grid point 149 (66/227) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 4.243 0.000 10.815) 11.618 2.212 ( 17.614 0.000 -3.946) 18.050 2.532 ( -1.340 -0.000 0.030) 1.340 2.625 ( -2.140 -0.000 -3.547) 4.142 2.943 ( -0.379 -0.000 9.554) 9.562 3.170 ( 0.643 0.000 0.906) 1.111 3.729 ( -1.671 -0.000 5.572) 5.817 3.799 ( 14.775 0.000 5.975) 15.937 4.743 ( 2.440 0.000 -2.076) 3.204 5.063 ( 7.511 0.000 -4.520) 8.767 5.079 ( -0.756 -0.000 -2.599) 2.707 5.272 ( -2.809 -0.000 0.573) 2.867 5.461 ( -1.092 -0.000 -5.125) 5.240 5.539 ( -3.129 -0.000 3.302) 4.549 5.676 ( 0.751 0.000 4.151) 4.219 6.491 ( 16.744 0.000 -2.902) 16.993 6.633 ( -1.175 -0.000 -2.919) 3.146 6.725 ( 3.217 0.000 -1.849) 3.711 6.828 ( 6.349 0.000 1.872) 6.619 6.982 ( 5.005 0.000 -0.412) 5.022 7.403 ( -6.037 -0.000 0.528) 6.060 7.608 ( 6.051 0.000 -1.894) 6.341 7.931 ( 6.581 0.000 0.274) 6.586 8.822 ( -21.163 -0.000 -0.029) 21.163 16.382 ( -0.302 -0.000 0.997) 1.042 16.599 ( 0.921 0.000 -0.658) 1.132 17.314 ( 6.939 0.000 -3.229) 7.653 17.502 ( 4.154 0.000 0.178) 4.158 22.643 ( -0.144 -0.000 -1.166) 1.175 22.758 ( -1.098 -0.000 1.894) 2.189 26.509 ( 0.721 0.000 -0.797) 1.075 26.587 ( -1.302 -0.000 -0.252) 1.326 35.702 ( -2.320 -0.000 0.839) 2.467 36.469 ( -0.922 -0.000 -0.725) 1.173 36.826 ( 2.770 0.000 4.090) 4.940 37.698 ( 10.588 0.000 -7.730) 13.109 ======================= Grid point 150 (67/227) ======================= q-point: ( 0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.687 -0.479 6.812) 6.863 2.340 ( 8.863 3.006 0.833) 9.396 2.565 ( 3.972 -2.175 1.868) 4.899 2.610 ( -0.955 -1.816 -2.293) 3.077 2.994 ( -1.995 -3.463 10.082) 10.845 3.177 ( 1.519 -0.136 2.064) 2.567 3.756 ( -1.244 -2.447 1.754) 3.258 3.886 ( 5.279 1.244 6.718) 8.634 4.901 ( 2.609 -11.419 -2.151) 11.909 4.985 ( 1.196 3.508 -4.489) 5.821 5.261 ( 5.694 -7.833 -1.398) 9.784 5.320 ( -4.000 -9.743 -0.508) 10.544 5.451 ( -2.947 -0.883 -4.054) 5.089 5.524 ( -1.418 -3.234 2.041) 4.078 5.748 ( 0.342 -6.610 2.959) 7.250 6.617 ( 12.628 3.224 -2.272) 13.229 6.624 ( -0.287 -1.816 -5.477) 5.777 6.737 ( 4.326 1.206 -0.119) 4.493 6.947 ( 1.961 -5.414 1.597) 5.975 7.007 ( 2.495 1.589 -0.153) 2.962 7.330 ( -7.042 -0.516 1.655) 7.252 7.650 ( 3.062 0.785 -1.968) 3.724 7.944 ( 9.447 8.598 -2.523) 13.021 8.494 ( -19.897 11.527 0.662) 23.004 16.423 ( -0.232 -4.534 0.918) 4.632 16.643 ( 0.382 -3.885 -0.845) 3.994 17.336 ( 4.424 3.605 -2.372) 6.180 17.520 ( 2.260 1.786 0.471) 2.918 22.637 ( -0.042 0.252 -1.124) 1.153 22.746 ( -0.894 0.394 1.348) 1.664 26.513 ( 1.264 0.692 -0.403) 1.497 26.566 ( -0.888 0.852 -0.197) 1.247 35.763 ( -0.892 -8.084 1.116) 8.209 36.454 ( 0.153 0.697 -1.637) 1.786 36.826 ( -1.132 2.161 4.412) 5.041 37.777 ( 9.003 1.482 -3.998) 9.962 ======================= Grid point 151 (68/227) ======================= q-point: (-0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -3.253 -2.830 4.600) 6.305 2.314 ( 2.911 6.571 9.130) 11.619 2.581 ( -1.213 -0.098 3.480) 3.687 2.724 ( 5.075 -4.611 -3.270) 7.597 3.022 ( -2.769 -0.926 4.458) 5.329 3.236 ( 2.336 -3.180 7.137) 8.155 3.710 ( -0.877 5.416 -2.006) 5.842 4.003 ( -0.631 -9.916 5.857) 11.534 4.950 ( 1.091 1.067 -2.711) 3.111 5.070 ( -0.163 -5.465 -1.380) 5.639 5.357 ( -3.927 0.453 -0.918) 4.058 5.420 ( -2.467 -4.874 -2.772) 6.126 5.457 ( 2.207 -2.847 3.441) 4.982 5.747 ( 0.151 -14.254 -6.194) 15.542 5.981 ( 1.247 -22.913 0.950) 22.966 6.645 ( -5.618 -3.976 -3.573) 7.755 6.660 ( 8.881 3.901 -1.398) 9.801 6.772 ( 3.631 1.308 0.712) 3.925 6.996 ( 2.009 -0.774 0.585) 2.231 7.025 ( -2.093 -2.777 0.493) 3.512 7.323 ( -0.975 -3.006 -1.050) 3.331 7.629 ( 0.433 3.164 -1.629) 3.585 7.782 ( 2.432 16.624 -1.323) 16.853 8.058 ( -10.788 16.563 0.079) 19.767 16.531 ( -0.219 -7.068 0.634) 7.100 16.729 ( 0.053 -5.141 -0.997) 5.237 17.273 ( 1.092 5.955 -1.512) 6.240 17.494 ( 0.846 2.776 0.637) 2.971 22.629 ( -0.017 0.409 -0.988) 1.069 22.732 ( -0.658 0.487 0.884) 1.205 26.506 ( 0.717 1.158 0.011) 1.362 26.544 ( 0.388 1.068 -0.137) 1.144 35.953 ( 0.626 -12.067 0.515) 12.094 36.438 ( 1.800 2.091 -1.812) 3.301 36.737 ( -5.321 4.938 6.249) 9.578 37.833 ( 7.316 0.518 -2.791) 7.847 ======================= Grid point 152 (69/227) ======================= q-point: (-0.30 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -5.836 -6.229 4.688) 9.738 2.213 ( 2.791 9.928 15.434) 18.563 2.584 ( -2.346 -1.624 3.237) 4.315 2.815 ( 2.452 -1.159 -1.562) 3.129 2.992 ( -2.865 1.204 -1.470) 3.437 3.337 ( 0.822 -3.264 11.060) 11.561 3.600 ( 0.141 4.105 -4.602) 6.168 4.205 ( -0.723 -11.736 2.479) 12.017 4.932 ( 0.326 1.909 -0.672) 2.050 5.126 ( -1.977 -2.725 0.251) 3.376 5.275 ( -8.399 0.863 -0.813) 8.482 5.429 ( 0.393 -0.243 0.950) 1.057 5.564 ( 2.267 -3.442 -1.465) 4.374 5.875 ( 1.640 -2.836 -6.092) 6.917 6.416 ( -6.303 -8.903 -0.960) 10.951 6.626 ( -6.180 -6.181 -4.098) 9.654 6.708 ( 7.159 -5.662 4.573) 10.209 6.759 ( -0.571 0.608 -1.948) 2.119 7.042 ( -4.620 -3.597 0.477) 5.875 7.130 ( 3.510 -9.206 -0.419) 9.862 7.326 ( 2.727 7.370 -6.147) 9.977 7.448 ( -4.309 12.090 0.503) 12.845 7.576 ( 1.627 2.558 1.734) 3.492 7.736 ( -0.073 12.849 -0.438) 12.857 16.652 ( -1.324 -6.425 0.354) 6.569 16.810 ( 0.133 -3.550 -0.926) 3.671 17.157 ( -1.434 5.866 -0.877) 6.102 17.452 ( 0.980 2.726 0.370) 2.920 22.620 ( -0.029 0.384 -0.777) 0.867 22.719 ( -0.463 0.445 0.598) 0.877 26.489 ( -0.116 0.923 0.236) 0.960 26.537 ( 1.512 0.911 -0.087) 1.767 36.167 ( 1.824 -8.722 -2.442) 9.240 36.415 ( 2.188 2.428 1.070) 3.439 36.572 ( -7.546 6.037 7.561) 12.270 37.917 ( 5.862 -2.803 -3.487) 7.374 ======================= Grid point 153 (70/227) ======================= q-point: (-0.20 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -3.945 6.807 18.656) 20.247 2.172 ( 0.460 -2.741 5.790) 6.423 2.591 ( -5.589 -2.896 1.863) 6.564 2.802 ( 1.679 5.536 3.857) 6.953 2.925 ( -4.374 0.315 -6.728) 8.031 3.359 ( -0.910 2.365 5.510) 6.065 3.603 ( 5.089 -1.696 -2.165) 5.785 4.391 ( 0.103 -7.949 -0.539) 7.968 4.890 ( 0.159 2.234 1.048) 2.473 5.098 ( -9.421 1.713 2.513) 9.899 5.190 ( -5.195 -2.375 -1.646) 5.945 5.471 ( 5.601 -0.674 2.210) 6.059 5.603 ( 1.453 0.839 -1.213) 2.070 5.893 ( 1.135 1.311 -6.011) 6.256 6.243 ( -10.018 8.966 3.287) 13.840 6.559 ( -10.225 3.300 1.195) 10.810 6.736 ( 7.373 4.978 -4.363) 9.908 6.788 ( 1.872 8.549 -4.387) 9.790 7.112 ( -2.562 -4.447 -1.524) 5.353 7.191 ( 4.850 6.232 -0.631) 7.922 7.296 ( 0.146 1.818 -4.905) 5.233 7.394 ( -1.504 -8.790 0.141) 8.919 7.602 ( 5.513 0.760 1.528) 5.771 7.674 ( -1.782 -13.941 3.311) 14.439 16.717 ( -3.309 -3.241 0.292) 4.641 16.836 ( -1.417 0.233 -0.689) 1.593 17.059 ( -0.577 2.997 -0.211) 3.059 17.426 ( 3.089 2.399 -0.745) 3.981 22.614 ( -0.010 0.134 -0.482) 0.501 22.708 ( -0.282 0.337 0.469) 0.643 26.476 ( -0.396 0.249 0.356) 0.588 26.540 ( 1.502 0.526 -0.300) 1.620 36.236 ( -0.669 1.701 -1.884) 2.625 36.329 ( -2.063 6.157 1.634) 6.696 36.529 ( -0.648 -4.484 7.101) 8.423 38.028 ( 4.081 -3.744 -5.356) 7.704 ======================= Grid point 154 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.743 9.072 21.642) 23.478 2.231 ( -3.841 -4.485 3.074) 6.657 2.555 ( -7.517 0.609 2.157) 7.844 2.689 ( 1.404 7.201 2.402) 7.720 2.896 ( -0.946 -1.476 -3.774) 4.161 3.290 ( 0.509 4.999 -1.889) 5.369 3.686 ( 5.311 0.125 -0.052) 5.313 4.439 ( 0.166 3.038 -2.318) 3.825 4.880 ( -0.960 0.197 -4.220) 4.332 4.977 ( -6.971 -1.152 12.375) 14.250 5.207 ( -0.765 -2.066 -0.607) 2.286 5.548 ( 0.502 -1.735 -3.647) 4.070 5.593 ( 9.481 4.559 6.187) 12.205 5.821 ( -4.542 3.327 -6.027) 8.248 6.001 ( -3.338 8.868 1.439) 9.584 6.361 ( -6.044 6.638 -0.106) 8.978 6.652 ( 9.512 10.663 -1.321) 14.350 6.733 ( 2.351 1.253 -7.335) 7.804 7.091 ( -1.001 4.845 -0.309) 4.957 7.153 ( 3.083 -0.338 0.707) 3.181 7.267 ( 5.453 2.943 -5.739) 8.445 7.461 ( -1.299 -1.694 3.147) 3.803 7.565 ( 2.418 7.028 -0.319) 7.439 8.104 ( -8.221 -29.482 2.753) 30.730 16.704 ( -3.800 0.260 0.164) 3.812 16.791 ( -1.906 1.399 -0.253) 2.378 17.028 ( 1.257 1.718 0.488) 2.184 17.419 ( 4.842 3.149 -2.391) 6.251 22.614 ( 0.021 -0.302 -0.151) 0.339 22.703 ( -0.064 0.145 0.494) 0.519 26.473 ( -0.711 -0.472 0.300) 0.904 26.547 ( 0.982 0.052 -0.698) 1.206 36.114 ( -5.154 4.422 3.209) 7.511 36.305 ( 4.500 -0.066 -1.848) 4.865 36.597 ( -0.854 -1.112 5.614) 5.786 38.087 ( 1.349 -0.211 -8.107) 8.221 ======================= Grid point 160 (72/227) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -6.840 -0.000 4.900) 8.414 2.476 ( 5.874 0.000 -0.835) 5.933 2.564 ( 2.614 0.000 4.516) 5.218 2.572 ( -0.517 -0.000 -3.497) 3.535 2.989 ( 1.602 0.000 14.891) 14.977 3.192 ( 1.391 0.000 3.028) 3.332 3.689 ( -3.490 -0.000 4.467) 5.668 3.976 ( 0.650 0.000 3.403) 3.464 4.785 ( 1.932 0.000 -0.293) 1.954 5.049 ( -1.189 -0.000 -3.200) 3.414 5.131 ( -1.040 -0.000 -6.701) 6.781 5.252 ( 2.343 0.000 -3.535) 4.241 5.442 ( 0.853 0.000 -3.580) 3.681 5.457 ( -4.993 -0.000 4.994) 7.062 5.695 ( -0.875 -0.000 4.125) 4.216 6.559 ( -3.462 -0.000 -8.665) 9.331 6.784 ( 9.314 0.000 -0.061) 9.314 6.797 ( 2.773 0.000 1.511) 3.158 6.894 ( -0.608 -0.000 1.039) 1.204 7.037 ( 0.414 0.000 0.451) 0.612 7.255 ( -5.150 -0.000 1.550) 5.378 7.670 ( -0.026 -0.000 -2.360) 2.360 8.128 ( 7.505 0.000 -3.342) 8.216 8.410 ( -12.985 -0.000 -1.952) 13.131 16.379 ( -0.283 -0.000 1.006) 1.045 16.607 ( 0.045 0.000 -0.800) 0.801 17.402 ( 2.079 0.000 -2.028) 2.905 17.553 ( 0.415 0.000 0.864) 0.958 22.637 ( 0.004 0.000 -1.257) 1.257 22.742 ( -0.939 -0.000 1.089) 1.438 26.532 ( 0.996 0.000 0.037) 0.996 26.570 ( 0.353 0.000 -0.160) 0.388 35.691 ( 0.877 0.000 1.931) 2.121 36.444 ( -1.013 -0.000 -1.976) 2.220 36.835 ( -2.762 -0.000 1.805) 3.300 37.890 ( 9.099 0.000 0.772) 9.132 ======================= Grid point 161 (73/227) ======================= q-point: (-0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -10.907 -2.128 4.080) 11.838 2.440 ( -3.525 1.798 3.076) 5.012 2.562 ( 0.499 0.567 2.562) 2.671 2.691 ( 5.482 -4.925 -2.445) 7.765 3.018 ( 0.918 1.934 12.875) 13.052 3.239 ( 3.279 -1.760 6.696) 7.661 3.703 ( -4.385 -3.332 1.311) 5.661 3.916 ( -4.077 1.518 4.890) 6.545 4.925 ( 0.257 -9.869 -1.283) 9.956 4.986 ( 0.182 2.114 -2.648) 3.393 5.181 ( -9.401 -7.237 -3.792) 12.455 5.344 ( 2.836 -7.393 -4.698) 9.207 5.422 ( 1.478 -1.338 0.932) 2.201 5.495 ( -1.774 -6.031 -1.055) 6.374 5.752 ( -0.677 -7.150 2.626) 7.646 6.513 ( -6.005 -1.503 -8.034) 10.142 6.780 ( 1.932 2.735 0.957) 3.483 6.825 ( -1.018 1.626 2.530) 3.175 6.907 ( -4.194 -2.957 1.640) 5.387 7.036 ( -0.348 -0.298 0.424) 0.624 7.267 ( 2.950 -2.552 -0.964) 4.018 7.642 ( -2.987 0.577 -1.957) 3.617 7.995 ( -12.313 9.773 0.031) 15.721 8.302 ( 11.108 11.359 -7.070) 17.390 16.421 ( -0.235 -4.542 0.834) 4.623 16.641 ( -0.299 -3.872 -0.911) 3.988 17.367 ( -0.852 4.156 -1.345) 4.451 17.534 ( -1.233 1.552 1.043) 2.240 22.633 ( -0.055 0.240 -1.308) 1.331 22.732 ( -0.779 0.230 0.845) 1.172 26.529 ( -0.057 0.854 0.185) 0.876 26.576 ( 2.147 0.829 0.173) 2.308 35.786 ( 2.467 -7.799 2.107) 8.447 36.442 ( -0.575 -1.066 -2.398) 2.686 36.764 ( -5.607 3.402 2.059) 6.874 37.958 ( 8.442 2.903 2.802) 9.356 ======================= Grid point 162 (74/227) ======================= q-point: (-0.30 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -14.505 -5.396 5.204) 16.328 2.387 ( -2.893 1.031 6.112) 6.840 2.555 ( -0.331 1.408 5.256) 5.451 2.809 ( 3.958 -2.960 -3.979) 6.345 2.985 ( -2.241 2.559 6.743) 7.553 3.329 ( 3.325 -2.084 10.751) 11.445 3.630 ( -6.198 2.626 -1.911) 6.997 3.992 ( -1.766 -10.851 5.572) 12.325 4.965 ( 0.571 1.150 -1.539) 2.004 5.039 ( -2.215 -4.609 -1.362) 5.292 5.133 ( -12.968 -2.315 -3.113) 13.536 5.429 ( -0.029 -1.693 -0.031) 1.693 5.512 ( 2.833 -4.519 -0.995) 5.426 5.745 ( 1.394 -15.663 -6.020) 16.837 5.977 ( -1.598 -20.973 0.884) 21.052 6.443 ( -10.574 -1.410 -3.824) 11.332 6.681 ( -9.415 4.185 4.251) 11.146 6.811 ( 2.035 -1.540 -1.042) 2.756 6.948 ( -2.670 -4.097 0.848) 4.964 7.046 ( -1.484 -2.227 -0.133) 2.679 7.347 ( 2.797 -1.284 -1.690) 3.511 7.604 ( -1.999 1.118 1.671) 2.835 7.651 ( -9.120 12.056 -1.964) 15.244 8.137 ( 14.867 20.371 -7.983) 26.452 16.522 ( -0.732 -6.426 0.552) 6.491 16.726 ( -0.038 -5.475 -1.089) 5.583 17.242 ( -3.585 6.413 -0.502) 7.365 17.488 ( -1.641 1.535 0.755) 2.371 22.624 ( -0.178 0.343 -1.230) 1.289 22.721 ( -0.548 0.316 0.698) 0.942 26.508 ( -0.069 1.238 0.169) 1.251 26.581 ( 2.458 1.404 0.476) 2.870 36.003 ( 3.740 -11.292 1.184) 11.954 36.450 ( -0.188 -0.311 -1.524) 1.566 36.610 ( -7.949 6.088 3.536) 10.619 37.990 ( 7.655 2.665 1.933) 8.333 ======================= Grid point 163 (75/227) ======================= q-point: (-0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -17.414 -7.899 7.489) 20.536 2.364 ( 0.575 1.797 8.122) 8.339 2.512 ( -3.125 2.327 5.088) 6.408 2.865 ( 1.819 -0.706 -4.439) 4.849 2.909 ( -3.112 3.499 5.384) 7.136 3.391 ( 0.542 0.506 9.955) 9.982 3.578 ( -1.566 -3.376 -4.090) 5.529 4.214 ( 0.867 -12.208 4.998) 13.220 4.926 ( -2.724 1.555 -5.164) 6.042 5.002 ( -10.951 0.963 3.288) 11.475 5.087 ( -3.064 -3.457 -1.180) 4.768 5.458 ( -1.948 -3.030 -1.303) 3.830 5.622 ( 5.251 -2.879 -0.883) 6.053 5.903 ( 2.698 -2.069 -5.346) 6.336 6.217 ( -10.648 0.081 -1.296) 10.727 6.462 ( -9.445 -9.618 -0.185) 13.481 6.564 ( -10.922 -12.057 1.324) 16.322 6.896 ( 1.864 -4.909 -3.310) 6.208 6.923 ( -2.702 1.836 2.711) 4.245 7.144 ( -2.079 -11.075 -0.118) 11.269 7.327 ( -4.912 4.351 0.151) 6.564 7.381 ( 1.611 6.114 -2.784) 6.909 7.604 ( -1.590 3.390 3.722) 5.279 7.937 ( 19.984 16.713 -8.643) 27.448 16.616 ( -1.849 -4.918 0.423) 5.271 16.804 ( -0.541 -2.741 -1.014) 2.972 17.095 ( -4.060 4.077 0.112) 5.755 17.462 ( -0.267 0.114 -0.132) 0.319 22.614 ( -0.246 0.213 -0.986) 1.038 22.712 ( -0.323 0.309 0.626) 0.769 26.487 ( 0.048 1.089 0.191) 1.107 26.579 ( 2.067 1.544 0.398) 2.611 36.213 ( 2.529 -5.408 -1.094) 6.070 36.413 ( -5.451 6.505 1.413) 8.604 36.457 ( -1.994 -2.272 4.669) 5.563 38.043 ( 6.719 -0.006 -0.982) 6.790 ======================= Grid point 164 (76/227) ======================= q-point: (-0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -17.189 -8.781 9.456) 21.494 2.341 ( 4.696 6.255 10.272) 12.911 2.455 ( -6.053 -2.089 1.573) 6.594 2.774 ( -5.974 4.168 -2.217) 7.615 2.922 ( 6.309 0.735 5.256) 8.245 3.359 ( -0.971 3.485 3.129) 4.783 3.672 ( 1.247 -5.851 -3.532) 6.947 4.423 ( 2.583 -6.641 3.124) 7.780 4.836 ( -7.828 -0.305 -6.149) 9.959 4.924 ( -2.121 0.250 9.077) 9.325 5.126 ( -2.172 -4.221 -0.548) 4.778 5.485 ( -2.981 -3.351 -4.080) 6.063 5.712 ( 4.330 -1.008 -0.131) 4.448 5.857 ( -3.150 6.738 -0.071) 7.438 6.070 ( -3.307 2.905 -1.674) 4.709 6.366 ( -7.978 2.217 3.343) 8.929 6.704 ( -4.311 -5.059 -7.674) 10.152 6.847 ( -2.496 0.795 -0.927) 2.779 7.032 ( -1.652 -5.597 -1.139) 5.946 7.199 ( -2.281 2.873 0.364) 3.686 7.332 ( 2.544 -2.490 -5.358) 6.432 7.376 ( -0.959 0.389 1.287) 1.652 7.573 ( -5.088 -15.435 6.979) 17.687 7.901 ( 18.865 12.950 -5.376) 23.505 16.658 ( -1.909 -2.120 0.386) 2.879 16.795 ( -1.827 1.184 -0.441) 2.221 17.038 ( -1.578 -0.356 0.340) 1.652 17.471 ( 0.987 -0.332 -1.481) 1.810 22.609 ( -0.209 -0.106 -0.644) 0.686 22.706 ( -0.118 0.203 0.600) 0.645 26.471 ( -0.057 0.662 0.172) 0.686 26.571 ( 1.320 1.289 0.027) 1.845 36.154 ( -5.574 5.449 3.283) 8.459 36.345 ( 2.409 0.826 -2.872) 3.838 36.539 ( -0.822 -5.181 5.746) 7.781 38.105 ( 4.702 0.152 -4.338) 6.399 ======================= Grid point 171 (77/227) ======================= q-point: (-0.40 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -14.965 -0.000 4.132) 15.525 2.322 ( -14.554 -0.000 0.728) 14.573 2.622 ( 0.822 0.000 2.687) 2.810 2.673 ( 5.013 0.000 -4.299) 6.604 3.133 ( 6.688 0.000 19.528) 20.641 3.258 ( 3.213 0.000 6.396) 7.157 3.601 ( -7.173 -0.000 2.184) 7.498 3.871 ( -10.963 -0.000 4.405) 11.815 4.813 ( 0.303 0.000 1.055) 1.098 5.000 ( -2.512 -0.000 -2.761) 3.733 5.006 ( -8.031 -0.000 -4.814) 9.363 5.271 ( 1.055 0.000 -9.077) 9.138 5.416 ( -0.557 -0.000 4.875) 4.907 5.444 ( -1.518 -0.000 -2.537) 2.956 5.685 ( 0.648 0.000 1.625) 1.750 6.430 ( -5.724 -0.000 -8.890) 10.574 6.782 ( -7.666 -0.000 1.559) 7.823 6.807 ( -8.047 -0.000 1.198) 8.136 6.839 ( -0.351 -0.000 4.397) 4.411 7.002 ( -4.158 -0.000 0.301) 4.169 7.317 ( 10.146 0.000 -1.508) 10.258 7.592 ( -5.985 -0.000 -2.533) 6.499 7.920 ( -16.343 -0.000 0.076) 16.343 8.570 ( 19.392 0.000 -9.899) 21.772 16.378 ( -0.093 -0.000 0.852) 0.857 16.595 ( -0.915 -0.000 -0.816) 1.226 17.384 ( -3.085 -0.000 -0.991) 3.240 17.526 ( -3.263 -0.000 1.254) 3.496 22.631 ( -0.189 -0.000 -1.612) 1.623 22.728 ( -0.687 -0.000 0.831) 1.078 26.537 ( 0.042 0.000 0.195) 0.200 26.612 ( 2.753 0.000 0.650) 2.829 35.751 ( 3.940 0.000 2.989) 4.946 36.415 ( -0.930 -0.000 -3.086) 3.223 36.733 ( -7.032 -0.000 0.555) 7.054 38.087 ( 8.550 0.000 6.355) 10.653 ======================= Grid point 172 (78/227) ======================= q-point: (-0.30 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -17.722 -2.572 5.656) 18.780 2.209 ( -16.865 -5.837 2.253) 17.988 2.603 ( -0.204 1.048 1.037) 1.488 2.759 ( 1.656 -4.848 -5.544) 7.549 3.122 ( 4.007 8.921 14.427) 17.429 3.353 ( 3.447 -1.877 10.708) 11.405 3.535 ( -13.626 -1.955 2.705) 14.029 3.808 ( -5.410 -6.639 6.296) 10.629 4.902 ( -2.064 -7.521 -0.816) 7.842 4.930 ( -11.367 -1.805 -5.929) 12.947 4.980 ( -0.988 -1.732 -0.279) 2.013 5.350 ( -1.604 -5.769 -3.873) 7.131 5.410 ( -4.438 -6.893 0.446) 8.210 5.483 ( 2.631 -5.294 -3.553) 6.898 5.775 ( 3.169 -6.734 -0.007) 7.443 6.340 ( -7.604 1.141 -5.897) 9.690 6.647 ( -11.782 3.476 1.880) 12.427 6.741 ( -7.209 -3.067 -0.257) 7.839 6.866 ( -0.857 -2.568 2.384) 3.607 6.962 ( -7.326 -1.798 0.552) 7.563 7.404 ( 6.112 2.293 -1.466) 6.691 7.560 ( -1.054 -3.306 -0.645) 3.529 7.694 ( -13.957 6.350 -0.850) 15.357 8.634 ( 20.368 14.081 -10.750) 26.994 16.420 ( -0.076 -4.249 0.684) 4.305 16.624 ( -0.922 -4.432 -0.940) 4.623 17.297 ( -5.333 4.528 -0.123) 6.997 17.477 ( -4.355 0.728 0.796) 4.486 22.623 ( -0.380 0.198 -1.729) 1.782 22.721 ( -0.483 0.157 0.843) 0.985 26.531 ( 0.453 0.928 0.145) 1.043 26.632 ( 2.584 1.003 0.984) 2.942 35.876 ( 5.173 -7.613 2.976) 9.674 36.415 ( -1.178 -1.457 -2.838) 3.400 36.621 ( -8.146 3.550 0.717) 8.915 38.149 ( 8.216 3.938 6.842) 11.394 ======================= Grid point 173 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -19.705 -5.720 8.386) 22.166 2.177 ( -16.125 -8.770 2.505) 18.526 2.591 ( -0.300 0.823 1.912) 2.103 2.829 ( -1.128 -2.541 -6.176) 6.772 3.015 ( 1.882 6.919 12.341) 14.272 3.395 ( -8.052 -5.202 3.523) 10.214 3.447 ( -4.422 0.296 7.038) 8.317 4.006 ( 1.606 -13.266 8.802) 16.001 4.814 ( -11.511 -0.826 -7.650) 13.846 4.971 ( -3.280 -1.774 -3.060) 4.824 5.004 ( -0.795 -2.212 4.092) 4.719 5.333 ( -7.552 -3.869 -2.696) 8.903 5.593 ( 3.745 -5.993 -2.101) 7.372 5.734 ( -1.624 -20.745 -3.963) 21.183 5.962 ( 1.379 -11.236 -1.698) 11.447 6.205 ( -10.691 2.089 -2.270) 11.127 6.465 ( -10.104 3.345 3.463) 11.193 6.771 ( -5.734 -7.814 -2.035) 9.904 6.895 ( -5.044 -0.247 1.487) 5.265 6.940 ( -5.212 -7.100 0.318) 8.814 7.359 ( -2.975 3.922 -2.576) 5.556 7.455 ( -6.172 5.012 -2.490) 8.331 7.641 ( 3.233 -0.155 3.792) 4.986 8.499 ( 21.921 20.622 -10.622) 31.916 16.510 ( -0.444 -5.323 0.559) 5.371 16.717 ( -0.481 -5.960 -1.186) 6.096 17.130 ( -6.823 5.952 0.817) 9.091 17.432 ( -3.825 -0.799 -0.233) 3.914 22.612 ( -0.479 0.190 -1.483) 1.570 22.715 ( -0.296 0.241 0.817) 0.902 26.515 ( 0.744 1.467 0.095) 1.648 26.633 ( 1.997 1.750 0.967) 2.826 36.108 ( 5.550 -9.945 1.663) 11.510 36.402 ( -5.696 0.919 2.564) 6.314 36.465 ( -4.520 3.785 -1.711) 6.139 38.161 ( 7.634 4.189 3.771) 9.489 ======================= Grid point 174 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -19.477 -9.226 10.809) 24.110 2.196 ( -12.736 -10.418 1.337) 16.508 2.549 ( 0.790 4.789 4.493) 6.614 2.780 ( -3.951 2.969 -2.935) 5.748 3.014 ( 5.808 0.566 10.015) 11.591 3.411 ( -1.851 2.145 3.376) 4.407 3.464 ( -8.694 -11.987 0.295) 14.811 4.290 ( 4.057 -12.181 8.924) 15.635 4.718 ( -7.292 -1.845 -7.072) 10.325 4.933 ( -2.541 0.919 0.875) 2.840 5.037 ( -2.301 -2.609 1.577) 3.820 5.341 ( -7.146 -5.898 -4.045) 10.110 5.693 ( 0.014 -2.300 -2.949) 3.740 5.928 ( -2.568 1.481 -0.342) 2.984 6.035 ( -2.924 -3.363 -4.631) 6.427 6.239 ( -10.574 -13.199 -0.036) 16.912 6.377 ( -5.904 -6.108 4.379) 9.558 6.825 ( -2.273 -0.453 -4.767) 5.300 6.887 ( -6.039 -7.835 1.386) 9.989 7.082 ( -4.258 -13.278 0.914) 13.973 7.230 ( -3.200 1.851 -3.397) 5.021 7.394 ( -0.643 1.033 -1.085) 1.630 7.571 ( -1.406 8.246 4.446) 9.473 8.398 ( 24.996 16.569 -8.334) 31.125 16.592 ( -0.312 -3.979 0.554) 4.030 16.781 ( -1.197 -1.473 -0.757) 2.043 16.999 ( -4.976 0.505 0.702) 5.051 17.429 ( -2.993 -2.648 -1.258) 4.190 22.604 ( -0.373 -0.028 -0.987) 1.056 22.710 ( -0.163 0.227 0.731) 0.783 26.495 ( 0.717 1.550 0.056) 1.709 26.617 ( 1.187 2.025 0.608) 2.425 36.197 ( -4.775 4.675 2.581) 7.164 36.361 ( 2.024 -2.302 -1.610) 3.462 36.433 ( -2.426 -4.204 3.657) 6.077 38.181 ( 6.506 2.391 -1.238) 7.041 ======================= Grid point 182 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -19.388 -0.000 7.617) 20.831 1.934 ( -22.786 -0.000 3.142) 23.002 2.578 ( -6.412 -0.000 -3.251) 7.189 2.692 ( -1.209 -0.000 -6.347) 6.461 3.284 ( -25.328 -0.000 3.289) 25.541 3.346 ( 1.729 0.000 9.505) 9.661 3.400 ( 11.485 0.000 21.287) 24.188 3.678 ( -6.405 -0.000 5.761) 8.614 4.786 ( -9.156 -0.000 -4.639) 10.264 4.799 ( -3.569 -0.000 -0.846) 3.668 4.941 ( -1.959 -0.000 -1.307) 2.355 5.261 ( 0.637 0.000 -5.607) 5.643 5.329 ( -7.065 -0.000 -4.118) 8.178 5.429 ( 0.338 0.000 1.270) 1.315 5.765 ( 5.530 0.000 -1.865) 5.836 6.277 ( -6.304 -0.000 -5.273) 8.218 6.566 ( -10.740 -0.000 -1.829) 10.895 6.583 ( -13.072 -0.000 0.976) 13.108 6.843 ( -11.596 -0.000 0.080) 11.597 6.850 ( -0.449 -0.000 3.708) 3.735 7.449 ( -5.674 -0.000 -2.229) 6.096 7.553 ( 4.993 0.000 -0.240) 4.998 7.607 ( -6.905 -0.000 -0.348) 6.914 8.973 ( 21.951 0.000 -12.025) 25.029 16.381 ( 0.043 0.000 0.637) 0.639 16.566 ( -1.495 -0.000 -0.737) 1.667 17.277 ( -6.731 -0.000 0.126) 6.732 17.431 ( -5.818 -0.000 0.543) 5.843 22.617 ( -0.579 -0.000 -2.046) 2.126 22.720 ( -0.340 -0.000 0.975) 1.033 26.548 ( 1.008 0.000 0.118) 1.014 26.669 ( 2.163 0.000 1.284) 2.515 35.868 ( 5.885 0.000 3.924) 7.073 36.384 ( -0.883 -0.000 -3.946) 4.044 36.564 ( -8.822 -0.000 0.165) 8.824 38.293 ( 8.660 0.000 9.205) 12.639 ======================= Grid point 183 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -20.407 -2.336 11.315) 23.451 1.791 ( -23.505 -10.226 3.831) 25.918 2.499 ( -11.154 -4.452 -4.309) 12.759 2.719 ( -2.962 -5.524 -6.846) 9.282 3.022 ( -24.809 -1.794 6.188) 25.632 3.292 ( 1.077 6.486 10.008) 11.975 3.489 ( 1.425 2.655 12.337) 12.700 3.818 ( 4.309 -12.727 11.666) 17.794 4.671 ( -10.555 -0.856 -7.986) 13.263 4.840 ( -3.513 -6.299 -1.223) 7.315 4.960 ( -1.135 -3.117 1.353) 3.583 5.214 ( -7.872 1.403 -4.399) 9.126 5.360 ( -0.863 -11.647 -2.763) 12.002 5.520 ( 1.807 -7.343 -2.186) 7.872 5.857 ( 3.718 -4.922 -2.985) 6.852 6.166 ( -7.625 3.340 -3.128) 8.893 6.427 ( -8.293 2.139 0.042) 8.564 6.528 ( -11.423 -7.288 -1.057) 13.591 6.731 ( -13.724 -3.168 0.210) 14.087 6.863 ( -1.479 -1.875 2.777) 3.663 7.365 ( -6.907 3.222 -4.040) 8.626 7.434 ( -6.929 1.074 -3.124) 7.676 7.708 ( 9.300 -0.363 4.557) 10.363 9.037 ( 21.412 14.682 -11.628) 28.447 16.424 ( 0.254 -4.094 0.538) 4.137 16.598 ( -1.203 -5.161 -0.926) 5.379 17.156 ( -7.983 4.770 1.124) 9.368 17.366 ( -6.093 -0.246 -0.839) 6.155 22.606 ( -0.634 0.082 -1.792) 1.902 22.717 ( -0.237 0.148 0.984) 1.023 26.551 ( 1.364 1.080 0.058) 1.741 26.680 ( 1.417 1.122 1.241) 2.192 36.011 ( 6.243 -7.418 3.647) 10.359 36.369 ( -2.850 0.345 -1.848) 3.415 36.453 ( -6.908 1.768 -1.011) 7.202 38.345 ( 8.023 5.357 6.993) 11.915 ======================= Grid point 184 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -19.671 -6.209 15.724) 25.938 1.795 ( -19.911 -14.965 2.869) 25.073 2.534 ( -4.619 -7.153 -2.088) 8.767 2.753 ( -3.361 -2.167 -5.516) 6.813 2.914 ( -20.372 -13.320 6.369) 25.159 3.218 ( -0.309 2.696 7.786) 8.245 3.460 ( -1.114 2.487 8.347) 8.781 4.137 ( 7.020 -12.611 12.621) 19.174 4.594 ( -6.733 -2.931 -9.271) 11.827 4.877 ( -4.294 -2.688 -5.167) 7.236 4.991 ( -2.848 -0.839 5.380) 6.145 5.146 ( -7.678 -4.762 -3.834) 9.815 5.604 ( -2.438 -11.835 -3.689) 12.634 5.667 ( -2.122 -11.700 -3.035) 12.272 5.933 ( -7.714 -0.122 -2.959) 8.263 6.072 ( 2.495 -3.148 -2.424) 4.692 6.337 ( -3.424 1.308 4.417) 5.740 6.595 ( -9.543 -11.856 -0.871) 15.245 6.701 ( -10.212 -7.748 0.632) 12.834 6.901 ( -2.061 -4.222 1.832) 5.043 7.205 ( -6.354 2.847 -8.802) 11.223 7.389 ( -2.495 0.456 -1.074) 2.755 7.737 ( 3.977 6.884 6.578) 10.319 8.944 ( 23.026 17.008 -9.724) 30.233 16.515 ( 0.921 -4.886 0.560) 5.003 16.699 ( -0.773 -6.119 -1.179) 6.279 16.979 ( -7.469 4.365 1.432) 8.768 17.326 ( -6.092 -2.678 -1.897) 6.919 22.597 ( -0.377 -0.039 -1.005) 1.075 22.713 ( -0.199 0.224 0.850) 0.902 26.538 ( 1.370 1.844 -0.013) 2.297 26.664 ( 0.565 1.930 0.848) 2.183 36.215 ( 1.362 -2.635 1.545) 3.345 36.281 ( -3.363 -2.228 4.306) 5.900 36.395 ( -2.348 0.613 -3.028) 3.880 38.318 ( 5.874 5.523 0.141) 8.064 ======================= Grid point 193 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -19.396 -0.000 16.149) 25.239 1.410 ( -28.336 -0.000 5.753) 28.914 2.190 ( -33.601 -0.000 -1.509) 33.635 2.604 ( -4.152 -0.000 -7.548) 8.615 2.764 ( -19.217 -0.000 2.773) 19.416 3.372 ( -2.358 -0.000 9.106) 9.406 3.632 ( -0.546 -0.000 7.088) 7.109 3.733 ( 12.826 0.000 19.718) 23.523 4.528 ( -11.768 -0.000 -9.466) 15.102 4.734 ( -3.572 -0.000 0.484) 3.605 4.923 ( 0.478 0.000 1.577) 1.648 5.158 ( -7.331 -0.000 -8.336) 11.101 5.253 ( -0.015 -0.000 -3.711) 3.711 5.442 ( 0.537 0.000 1.623) 1.710 5.837 ( 1.224 0.000 -3.796) 3.989 6.120 ( -7.212 -0.000 -4.559) 8.532 6.304 ( -12.826 -0.000 0.201) 12.828 6.390 ( -4.311 -0.000 -1.925) 4.721 6.539 ( -16.084 -0.000 0.186) 16.085 6.820 ( -4.410 -0.000 3.480) 5.618 7.330 ( -7.867 -0.000 -8.046) 11.253 7.360 ( -2.417 -0.000 -1.688) 2.948 7.822 ( 9.988 0.000 6.475) 11.903 9.379 ( 20.325 0.000 -12.112) 23.660 16.383 ( 0.016 0.000 0.348) 0.349 16.533 ( -1.398 -0.000 -0.493) 1.482 17.119 ( -8.201 -0.000 1.070) 8.270 17.297 ( -6.570 -0.000 -2.376) 6.987 22.597 ( -0.528 -0.000 -1.386) 1.483 22.718 ( -0.224 -0.000 1.022) 1.046 26.577 ( 1.716 0.000 0.034) 1.716 26.703 ( 0.547 0.000 1.117) 1.244 36.010 ( 5.822 0.000 4.589) 7.413 36.351 ( -0.749 -0.000 -4.439) 4.502 36.387 ( -7.692 -0.000 0.347) 7.700 38.503 ( 8.155 0.000 4.639) 9.382 ======================= Grid point 194 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -17.494 -2.027 22.727) 28.752 1.281 ( -26.015 -15.211 5.480) 30.630 2.006 ( -33.689 -23.710 4.208) 41.410 2.612 ( -9.168 -3.500 -4.148) 10.654 2.618 ( -7.196 -4.008 -2.636) 8.649 3.313 ( -2.458 4.244 7.844) 9.251 3.552 ( 1.756 6.571 10.211) 12.269 4.033 ( 9.667 -11.273 15.218) 21.263 4.423 ( -10.248 -3.759 -11.239) 15.668 4.756 ( -3.240 -4.556 -2.150) 5.990 4.955 ( -0.718 -1.238 4.818) 5.026 5.035 ( -6.590 1.026 -5.754) 8.808 5.335 ( -0.337 -9.588 -4.590) 10.635 5.546 ( 1.211 -7.041 -0.795) 7.188 5.837 ( -6.188 -1.518 -2.357) 6.793 6.044 ( -0.082 -1.070 -4.833) 4.951 6.264 ( -9.422 -6.910 0.186) 11.686 6.360 ( -3.538 -1.402 -0.220) 3.812 6.449 ( -10.359 -7.085 1.762) 12.673 6.791 ( -7.023 -3.226 2.291) 8.061 7.202 ( -3.227 4.337 -10.830) 12.104 7.357 ( -2.160 -0.847 -1.594) 2.815 7.903 ( 6.737 3.482 8.659) 11.510 9.422 ( 18.128 13.000 -10.487) 24.650 16.440 ( 1.388 -4.955 0.192) 5.150 16.571 ( -0.977 -5.645 -0.892) 5.798 16.989 ( -8.006 4.706 1.276) 9.374 17.217 ( -7.761 -0.474 -3.846) 8.675 22.594 ( 0.214 0.002 0.037) 0.217 22.716 ( -0.267 0.152 0.887) 0.938 26.584 ( 1.708 1.283 -0.026) 2.136 26.695 ( -0.349 1.127 0.651) 1.348 36.140 ( 3.980 -6.532 3.643) 8.472 36.271 ( -5.140 3.361 1.410) 6.301 36.365 ( -1.107 -1.275 -3.533) 3.916 38.482 ( 1.618 7.512 -5.943) 9.714 ======================= Grid point 204 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -13.977 -0.000 27.494) 30.843 0.815 ( -30.286 -0.000 9.109) 31.626 1.316 ( -45.266 -0.000 15.997) 48.009 2.498 ( -2.666 -0.000 -8.176) 8.600 2.499 ( -7.483 -0.000 -2.011) 7.748 3.325 ( -4.368 -0.000 5.411) 6.954 3.718 ( 6.619 0.000 12.684) 14.307 4.009 ( 3.402 0.000 10.469) 11.008 4.267 ( -5.682 -0.000 -7.042) 9.049 4.668 ( -2.803 -0.000 1.231) 3.061 4.930 ( -7.501 -0.000 -3.205) 8.157 5.028 ( 7.787 0.000 6.501) 10.144 5.242 ( 0.587 0.000 -4.024) 4.067 5.459 ( -0.007 -0.000 3.823) 3.823 5.744 ( -8.457 -0.000 -2.096) 8.712 6.035 ( 3.306 0.000 -7.359) 8.067 6.087 ( -7.061 -0.000 -0.392) 7.072 6.238 ( -11.512 -0.000 0.769) 11.537 6.358 ( 0.457 0.000 0.855) 0.970 6.673 ( -9.818 -0.000 1.667) 9.959 7.223 ( 0.387 0.000 -12.532) 12.538 7.324 ( -0.671 -0.000 -1.368) 1.524 8.022 ( 5.974 0.000 10.936) 12.462 9.689 ( 10.663 0.000 -12.655) 16.548 16.383 ( -0.111 -0.000 -0.061) 0.126 16.509 ( -0.652 -0.000 -0.021) 0.652 16.959 ( -6.943 -0.000 0.324) 6.951 17.123 ( -9.669 -0.000 -8.024) 12.565 22.614 ( 3.591 0.000 3.450) 4.980 22.716 ( -0.366 -0.000 0.778) 0.860 26.614 ( 1.703 0.000 -0.032) 1.703 26.698 ( -1.210 -0.000 0.201) 1.227 36.117 ( 2.114 0.000 3.669) 4.234 36.265 ( -3.849 -0.000 1.250) 4.047 36.335 ( 1.070 0.000 -3.319) 3.487 38.469 ( -20.569 -0.000 -32.996) 38.882 ======================= Grid point 205 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -12.179 -0.000 16.323) 20.366 1.030 ( -2.249 -0.000 22.951) 23.061 1.810 ( 5.884 0.000 34.624) 35.120 2.216 ( 3.429 0.000 -15.182) 15.564 2.378 ( 2.809 0.000 -2.199) 3.567 3.218 ( -10.484 -0.000 -0.764) 10.512 3.575 ( -14.246 -0.000 -9.197) 16.957 4.068 ( -3.147 -0.000 15.184) 15.507 4.482 ( 4.438 0.000 0.975) 4.544 4.733 ( -0.596 -0.000 7.256) 7.281 4.871 ( 0.481 0.000 -0.632) 0.795 5.197 ( 4.102 0.000 -2.900) 5.024 5.423 ( -0.737 -0.000 -8.772) 8.803 5.551 ( -1.064 -0.000 3.772) 3.919 5.716 ( 12.510 0.000 0.989) 12.549 5.913 ( 3.776 0.000 -12.668) 13.219 6.057 ( 1.662 0.000 1.898) 2.523 6.122 ( -0.190 -0.000 0.631) 0.659 6.304 ( -3.419 -0.000 -6.862) 7.667 6.739 ( 21.294 0.000 -2.288) 21.416 6.975 ( 2.301 0.000 -10.269) 10.524 7.283 ( 0.592 0.000 -2.020) 2.105 8.436 ( 2.070 0.000 14.671) 14.816 9.418 ( -9.144 -0.000 -6.917) 11.465 16.371 ( -0.111 -0.000 -0.422) 0.436 16.516 ( 0.378 0.000 0.504) 0.630 16.821 ( 0.743 0.000 -0.388) 0.838 16.910 ( -3.864 -0.000 1.003) 3.992 22.711 ( -1.180 -0.000 0.349) 1.231 22.831 ( 6.644 0.000 -1.268) 6.764 26.644 ( 0.846 0.000 0.128) 0.855 26.667 ( -1.282 -0.000 -0.188) 1.296 36.109 ( -4.406 -0.000 0.182) 4.409 36.328 ( 2.918 0.000 4.946) 5.743 36.392 ( 4.483 0.000 0.532) 4.514 36.752 ( -39.992 -0.000 -2.485) 40.069 ======================= Grid point 206 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.656 -37.066 7.217) 37.798 1.285 ( 11.983 -14.713 16.487) 25.137 2.006 ( 12.039 -5.831 32.228) 34.894 2.281 ( 5.365 -2.774 -9.291) 11.081 2.507 ( 9.602 -7.308 -5.947) 13.453 3.093 ( -11.211 0.851 -2.007) 11.421 3.480 ( -11.569 -5.889 -3.681) 13.494 4.031 ( -2.884 1.736 15.130) 15.500 4.553 ( 3.665 -3.044 -1.725) 5.067 4.773 ( 1.044 -3.735 3.967) 5.547 4.878 ( -1.012 -1.036 -0.899) 1.704 5.266 ( 4.345 -1.821 -2.392) 5.284 5.410 ( 2.459 -0.369 -6.300) 6.773 5.498 ( 0.895 2.287 2.904) 3.803 5.787 ( 5.658 1.901 -1.768) 6.225 5.988 ( 0.227 -6.292 -10.065) 11.872 6.168 ( 6.458 -7.135 -0.649) 9.646 6.224 ( 5.681 -6.869 0.708) 8.942 6.334 ( -7.087 -9.588 -2.846) 12.258 6.927 ( 7.626 8.408 -7.524) 13.618 6.956 ( 17.766 1.108 -6.311) 18.886 7.256 ( -3.104 2.889 1.436) 4.477 8.408 ( -0.504 6.345 13.800) 15.197 9.322 ( -7.115 -0.710 -9.739) 12.082 16.436 ( -1.103 -6.521 -1.574) 6.799 16.558 ( 0.921 -3.827 0.096) 3.937 16.862 ( 5.499 -0.236 -0.229) 5.508 16.885 ( -0.263 -0.445 0.748) 0.909 22.693 ( -1.327 0.514 -0.042) 1.423 22.830 ( 3.029 4.597 0.125) 5.506 26.626 ( -2.257 1.917 -0.007) 2.961 26.635 ( 0.351 1.782 0.069) 1.818 36.102 ( -3.226 -2.645 0.568) 4.210 36.382 ( 2.486 -2.388 6.440) 7.304 36.407 ( 1.239 1.523 0.855) 2.142 36.783 ( -11.074 -28.069 -8.524) 31.355 ======================= Grid point 207 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.989 -23.922 8.749) 25.549 1.720 ( 9.151 -15.600 11.940) 21.672 2.356 ( 6.445 -3.154 -6.850) 9.920 2.417 ( 16.735 -12.258 20.513) 29.173 2.745 ( 7.913 -7.842 -6.720) 13.010 2.957 ( -10.496 0.727 -1.014) 10.570 3.520 ( -7.029 -8.601 4.450) 11.966 4.049 ( -0.545 -3.793 11.823) 12.429 4.685 ( 5.952 -7.329 -1.955) 9.642 4.844 ( 2.456 -0.490 -7.413) 7.825 4.937 ( -3.346 -9.096 4.358) 10.627 5.335 ( 3.297 -2.423 -1.058) 4.226 5.458 ( 3.255 -1.379 -2.655) 4.421 5.533 ( 6.655 -1.389 -2.650) 7.297 5.785 ( 3.325 2.586 -3.018) 5.182 6.094 ( -0.397 -7.015 -5.992) 9.234 6.378 ( 1.181 -6.783 -4.464) 8.206 6.435 ( 8.266 -11.655 0.977) 14.322 6.546 ( 2.461 -15.933 4.160) 16.650 6.803 ( 2.484 9.260 0.220) 9.590 7.042 ( 8.561 4.101 -4.192) 10.377 7.182 ( 0.598 0.768 -0.515) 1.101 8.253 ( -3.388 10.875 10.986) 15.825 9.193 ( -6.756 6.466 -11.354) 14.709 16.538 ( -2.676 -6.774 -0.766) 7.323 16.655 ( 0.744 -5.083 -0.918) 5.218 16.890 ( 1.062 -1.483 1.888) 2.625 16.983 ( 9.469 -2.799 -2.894) 10.289 22.666 ( -1.105 0.894 -0.381) 1.471 22.775 ( 1.259 3.548 1.638) 4.106 26.563 ( -2.385 1.956 -0.418) 3.113 26.600 ( 0.052 2.311 0.227) 2.323 36.105 ( -2.501 -0.746 1.430) 2.976 36.402 ( 2.796 1.397 0.057) 3.126 36.493 ( 3.417 -4.241 8.655) 10.226 37.209 ( -2.513 -25.597 -17.520) 31.121 ======================= Grid point 208 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.541 -11.655 15.916) 19.890 2.116 ( 3.430 -15.963 4.122) 16.840 2.418 ( 4.642 -0.776 -2.006) 5.115 2.707 ( -7.967 -2.879 4.314) 9.507 2.881 ( 3.724 -4.435 -6.952) 9.048 2.963 ( 12.122 -3.177 8.237) 14.996 3.628 ( -3.767 -7.747 6.996) 11.098 4.188 ( 1.388 -8.394 8.355) 11.924 4.811 ( 3.998 1.509 -5.179) 6.714 4.984 ( 4.867 -13.164 -2.827) 14.317 5.074 ( -3.779 -8.720 2.557) 9.842 5.400 ( 1.447 -2.077 -5.329) 5.900 5.541 ( 5.771 -3.207 1.494) 6.769 5.638 ( 8.950 -1.001 -5.597) 10.603 5.776 ( 3.179 0.547 -3.054) 4.442 6.191 ( 0.203 -3.923 -1.453) 4.189 6.477 ( -4.211 -5.933 1.614) 7.452 6.634 ( 4.700 2.740 2.399) 5.946 6.785 ( 4.723 -9.074 0.998) 10.278 6.885 ( 5.168 -14.329 0.095) 15.232 7.078 ( 7.736 -3.179 -4.385) 9.444 7.212 ( 5.145 0.893 -3.269) 6.160 7.993 ( -7.748 12.968 7.942) 17.067 8.896 ( -9.803 14.731 -7.494) 19.216 16.611 ( -2.962 -4.624 0.197) 5.495 16.732 ( 0.502 -2.894 -0.673) 3.013 16.955 ( 2.818 -2.714 1.367) 4.144 17.150 ( 8.291 -5.537 -3.755) 10.653 22.639 ( -0.725 0.935 -0.481) 1.278 22.740 ( 0.656 1.765 1.412) 2.354 26.510 ( -1.900 1.270 -0.462) 2.331 26.562 ( 0.151 1.850 0.028) 1.857 36.090 ( -2.680 -0.527 2.192) 3.502 36.405 ( 6.665 3.841 -0.377) 7.702 36.619 ( -0.636 -5.798 9.934) 11.520 37.541 ( -0.342 -16.348 -16.797) 23.442 ======================= Grid point 209 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -6.167 -4.888 12.110) 14.442 2.312 ( 3.304 -5.228 6.059) 8.658 2.525 ( 0.167 -6.598 1.975) 6.889 2.606 ( -5.064 2.545 1.640) 5.900 2.950 ( 1.849 -3.214 -1.688) 4.074 3.183 ( 11.017 -3.339 7.595) 13.792 3.710 ( -2.620 -3.350 3.279) 5.370 4.376 ( 2.381 -8.105 5.455) 10.055 4.793 ( 2.585 3.103 -5.987) 7.222 5.157 ( 1.764 -0.896 -0.500) 2.041 5.184 ( -6.892 -8.044 3.602) 11.189 5.448 ( 3.702 -0.890 -4.585) 5.960 5.641 ( 0.586 -2.125 -2.210) 3.121 5.717 ( 7.464 0.132 -1.025) 7.535 5.864 ( 4.819 -5.346 -2.048) 7.483 6.237 ( 0.017 -2.718 1.077) 2.923 6.527 ( -2.916 -3.529 -2.364) 5.152 6.681 ( 7.423 -2.785 1.818) 8.134 6.990 ( 3.089 -6.200 -0.368) 6.936 7.103 ( 6.766 -5.225 -7.450) 11.340 7.219 ( 4.600 3.064 -2.468) 6.053 7.350 ( 6.794 -15.531 1.921) 17.061 7.676 ( -10.981 11.740 4.743) 16.760 8.458 ( -11.220 19.878 -2.629) 22.977 16.649 ( -1.717 -2.434 0.329) 2.996 16.768 ( 0.498 -0.685 -0.128) 0.856 17.029 ( 1.930 -2.019 0.957) 2.952 17.315 ( 4.903 -5.072 -3.719) 7.974 22.617 ( -0.418 0.720 -0.502) 0.972 22.726 ( 0.322 0.748 0.995) 1.285 26.476 ( -1.200 0.636 -0.131) 1.365 26.542 ( 0.418 0.498 -0.313) 0.722 36.083 ( -3.404 -1.778 2.756) 4.727 36.400 ( 7.367 4.794 -0.427) 8.800 36.707 ( -2.974 -3.858 9.762) 10.910 37.749 ( 1.265 -9.821 -13.844) 17.021 ======================= Grid point 210 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -12.338 5.919 14.689) 20.075 2.473 ( 1.882 -5.663 8.098) 10.060 2.517 ( -1.476 5.485 0.986) 5.765 2.598 ( -1.563 -3.488 -1.359) 4.056 3.082 ( 3.364 -7.453 0.803) 8.217 3.329 ( 5.091 -1.965 9.245) 10.735 3.697 ( -3.429 1.493 0.555) 3.781 4.524 ( 2.972 -4.007 2.991) 5.817 4.728 ( 0.380 4.634 -6.438) 7.942 5.101 ( -1.891 5.118 -2.261) 5.906 5.228 ( -4.789 -2.495 8.602) 10.157 5.449 ( 1.844 3.700 -0.943) 4.240 5.634 ( -4.130 -1.180 -1.159) 4.449 5.773 ( 3.114 0.425 -3.124) 4.432 5.980 ( 4.735 -1.474 -4.342) 6.592 6.304 ( -3.919 -4.320 1.942) 6.148 6.551 ( 1.238 -1.855 -4.126) 4.690 6.815 ( 3.107 -0.654 -0.338) 3.193 7.042 ( -0.107 1.215 -1.719) 2.108 7.187 ( 1.026 1.054 -1.275) 1.947 7.221 ( 2.254 -1.009 -5.830) 6.332 7.400 ( -8.364 4.902 2.984) 10.143 7.737 ( 11.187 -14.110 -1.299) 18.054 7.992 ( -7.030 17.713 2.794) 19.261 16.667 ( -0.107 -0.488 0.266) 0.566 16.774 ( 0.475 0.342 0.079) 0.591 17.055 ( -0.423 0.464 0.854) 1.060 17.401 ( 0.569 -1.769 -3.644) 4.090 22.603 ( -0.181 0.488 -0.434) 0.677 22.721 ( 0.057 0.204 0.779) 0.807 26.464 ( -0.395 -0.200 0.054) 0.446 26.552 ( 0.562 -0.994 -0.504) 1.249 36.095 ( -4.262 -3.441 3.110) 6.299 36.386 ( 5.958 4.330 -0.512) 7.383 36.722 ( -3.592 0.249 8.848) 9.553 37.889 ( 2.756 -6.190 -12.083) 13.853 ======================= Grid point 211 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -11.184 8.480 21.190) 25.417 2.331 ( -5.845 10.794 1.483) 12.365 2.566 ( -0.802 -2.489 3.154) 4.097 2.646 ( 1.393 -1.656 -2.486) 3.296 3.223 ( -0.612 -3.875 -1.348) 4.148 3.385 ( -0.309 0.685 8.775) 8.807 3.613 ( -3.031 2.696 6.116) 7.339 4.554 ( -1.094 3.896 -5.979) 7.220 4.639 ( 2.409 4.067 0.964) 4.824 4.966 ( -3.123 6.113 -1.336) 6.993 5.209 ( -3.593 1.184 11.346) 11.960 5.349 ( -1.331 7.642 0.785) 7.797 5.618 ( -3.387 -1.546 -1.020) 3.860 5.760 ( -2.612 -0.152 -7.405) 7.854 5.995 ( 5.994 4.822 -8.832) 11.713 6.233 ( -12.997 3.620 -0.286) 13.495 6.571 ( 3.502 6.035 0.733) 7.016 6.696 ( -5.558 3.692 -2.492) 7.123 6.963 ( -4.241 5.421 -0.150) 6.885 7.128 ( -4.054 4.488 -0.523) 6.071 7.259 ( 2.614 0.148 -5.189) 5.812 7.360 ( -6.082 -4.239 4.270) 8.555 7.610 ( -0.293 8.880 2.521) 9.236 8.235 ( 19.270 -15.992 -2.333) 25.150 16.662 ( 1.285 1.865 0.423) 2.304 16.771 ( 0.320 0.563 -0.177) 0.671 17.007 ( -2.897 2.793 0.841) 4.111 17.374 ( -3.765 2.120 -3.873) 5.803 22.595 ( 0.133 0.251 -0.189) 0.342 22.721 ( -0.175 -0.129 0.743) 0.774 26.476 ( 0.411 -1.195 0.013) 1.264 26.584 ( 0.310 -2.037 -0.614) 2.150 36.127 ( -4.667 -4.621 3.221) 7.315 36.368 ( 3.490 3.012 -0.692) 4.661 36.656 ( -2.767 4.781 7.663) 9.446 37.990 ( 2.673 -4.093 -12.767) 13.671 ======================= Grid point 212 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -7.910 8.219 26.240) 28.612 2.012 ( -9.650 16.096 3.886) 19.165 2.552 ( -2.716 2.539 -1.699) 4.088 2.652 ( 1.786 2.759 -4.860) 5.867 3.049 ( -14.538 13.456 -2.694) 19.991 3.388 ( -1.600 -0.488 8.716) 8.875 3.625 ( 0.225 -2.884 13.727) 14.029 4.386 ( -5.765 7.268 -11.637) 14.883 4.598 ( 4.154 6.399 5.682) 9.512 4.829 ( -2.735 4.934 -0.379) 5.654 5.128 ( -5.085 6.170 6.643) 10.395 5.211 ( -0.275 4.036 4.992) 6.425 5.608 ( -1.743 -0.020 -0.454) 1.801 5.709 ( -5.502 -0.584 -8.209) 9.899 5.803 ( -9.338 14.931 -4.101) 18.082 6.040 ( 3.967 5.429 -10.414) 12.396 6.444 ( -0.630 6.437 2.466) 6.922 6.663 ( -1.566 2.983 -4.287) 5.452 6.777 ( -7.500 6.382 1.982) 10.045 6.926 ( -6.882 8.051 -1.886) 10.758 7.130 ( -3.468 10.574 0.364) 11.134 7.339 ( -3.530 -0.692 0.435) 3.623 7.754 ( 4.745 -13.468 7.754) 16.248 8.721 ( 21.049 -14.704 -6.680) 26.531 16.628 ( 2.410 4.118 0.503) 4.798 16.746 ( -0.069 2.870 -0.917) 3.014 16.919 ( -4.757 1.835 1.018) 5.200 17.246 ( -7.076 4.403 -4.157) 9.313 22.598 ( 0.815 -0.185 0.378) 0.918 22.724 ( -0.390 -0.346 0.838) 0.987 26.514 ( 1.071 -2.023 -0.073) 2.290 26.623 ( -0.444 -2.322 -0.755) 2.481 36.171 ( -4.031 -4.734 3.117) 6.955 36.346 ( 0.228 1.717 -0.720) 1.876 36.532 ( -0.346 7.850 6.111) 9.954 38.030 ( -1.494 -1.580 -16.780) 16.920 ======================= Grid point 213 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -4.763 7.979 27.219) 28.762 1.576 ( -11.718 19.954 8.462) 24.639 2.364 ( -6.704 18.838 -1.362) 20.042 2.521 ( -7.399 11.950 -3.106) 14.394 2.600 ( -9.905 8.524 -0.542) 13.079 3.368 ( -6.206 -0.728 5.303) 8.195 3.734 ( -0.354 -5.938 14.642) 15.805 4.150 ( -7.732 8.176 -11.341) 15.977 4.525 ( 3.707 6.556 4.333) 8.689 4.746 ( -0.214 2.544 1.566) 2.994 4.987 ( -1.503 5.583 3.538) 6.778 5.186 ( 1.002 0.480 7.463) 7.545 5.426 ( -6.743 11.925 -2.136) 13.865 5.592 ( -2.298 1.348 -3.028) 4.033 5.657 ( -1.837 0.432 -5.734) 6.036 6.002 ( 7.711 4.874 -13.123) 15.982 6.306 ( -3.342 7.781 -0.617) 8.491 6.434 ( -5.988 12.152 1.089) 13.591 6.611 ( -1.337 7.383 2.301) 7.847 6.845 ( -4.466 4.553 -0.098) 6.379 6.883 ( -6.128 2.345 -5.714) 8.701 7.318 ( -2.881 -0.548 -0.029) 2.933 8.065 ( 5.704 -11.868 11.082) 17.210 9.154 ( 16.248 -12.406 -9.312) 22.464 16.566 ( 2.919 6.033 -0.133) 6.703 16.649 ( -0.906 6.498 -1.478) 6.725 16.866 ( -5.645 -1.492 0.784) 5.891 17.081 ( -7.975 3.586 -3.363) 9.368 22.627 ( 2.411 -1.282 1.275) 3.014 22.728 ( -0.548 -0.420 1.024) 1.235 26.566 ( 1.392 -2.247 -0.055) 2.644 26.651 ( -1.340 -1.980 -0.765) 2.510 36.221 ( -2.325 -3.660 2.972) 5.257 36.291 ( -3.717 2.747 0.565) 4.656 36.422 ( 3.842 6.429 3.136) 8.119 37.905 ( -13.917 4.715 -23.823) 27.990 ======================= Grid point 214 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -10.236 22.690 12.426) 27.821 1.295 ( -11.573 16.187 20.104) 28.286 1.848 ( -8.348 15.353 25.503) 30.916 2.298 ( -2.912 6.305 -10.134) 12.285 2.435 ( -1.488 5.661 -4.236) 7.225 3.311 ( -9.252 -1.137 1.546) 9.449 3.765 ( -12.771 0.708 -4.862) 13.684 4.016 ( 0.661 -1.821 9.371) 9.569 4.471 ( 4.513 4.440 2.549) 6.824 4.731 ( 0.793 0.772 4.921) 5.043 4.897 ( -1.312 3.130 2.484) 4.206 5.220 ( 0.605 4.183 -3.009) 5.189 5.306 ( 8.812 -4.975 3.624) 10.749 5.531 ( -4.680 -0.056 -3.496) 5.842 5.646 ( 4.619 1.827 -0.447) 4.987 5.955 ( 6.386 6.173 -12.091) 15.003 6.125 ( -2.632 6.404 -0.057) 6.924 6.215 ( -4.085 6.391 -0.487) 7.600 6.461 ( 5.075 14.709 -2.632) 15.780 6.640 ( -5.796 0.008 2.338) 6.250 6.931 ( -0.056 -4.542 -8.479) 9.619 7.295 ( -1.150 0.560 -1.070) 1.668 8.312 ( 4.964 -6.607 13.324) 15.679 9.425 ( 3.935 -6.278 -10.071) 12.502 16.454 ( 0.589 7.721 -1.890) 7.971 16.544 ( -0.083 3.435 0.285) 3.448 16.838 ( -4.825 -1.226 -0.457) 4.999 16.964 ( -5.829 0.921 -0.579) 5.930 22.700 ( 2.775 -2.062 0.647) 3.517 22.739 ( 2.081 -1.210 1.555) 2.866 26.616 ( 1.328 -1.557 0.048) 2.047 26.665 ( -1.571 -1.481 -0.355) 2.188 36.182 ( -4.212 2.865 0.956) 5.183 36.279 ( 1.180 -1.914 3.248) 3.950 36.383 ( 4.201 3.562 1.162) 5.629 37.418 ( -36.830 15.156 -22.928) 45.955 ======================= Grid point 216 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 16.757 0.000 10.175) 19.604 1.364 ( 19.647 0.000 15.311) 24.908 2.196 ( 19.905 0.000 31.805) 37.520 2.295 ( 8.448 0.000 -14.149) 16.479 2.586 ( 16.435 0.000 -2.690) 16.654 2.984 ( -10.831 -0.000 -2.746) 11.174 3.288 ( -10.804 -0.000 -2.692) 11.134 4.041 ( -4.000 -0.000 17.031) 17.495 4.550 ( 2.685 0.000 -2.152) 3.441 4.751 ( 0.630 0.000 4.798) 4.839 4.878 ( 1.504 0.000 -5.590) 5.789 5.309 ( 6.594 0.000 -1.450) 6.752 5.407 ( 1.703 0.000 -6.159) 6.390 5.524 ( -2.535 -0.000 3.771) 4.544 5.798 ( -2.752 -0.000 -2.884) 3.986 5.915 ( 1.453 0.000 -5.175) 5.375 6.173 ( 9.193 0.000 0.039) 9.193 6.227 ( 2.009 0.000 -9.926) 10.127 6.246 ( 10.291 0.000 1.982) 10.480 6.993 ( 4.464 0.000 -10.043) 10.990 7.180 ( 8.701 0.000 -3.859) 9.518 7.298 ( 1.573 0.000 -2.068) 2.598 8.463 ( -4.176 -0.000 14.489) 15.079 9.221 ( -2.845 -0.000 -10.280) 10.666 16.374 ( 0.467 0.000 -0.179) 0.500 16.530 ( 0.708 0.000 0.274) 0.760 16.875 ( 0.669 0.000 1.505) 1.647 16.953 ( 9.976 0.000 -1.896) 10.154 22.682 ( -1.484 -0.000 -0.319) 1.518 22.894 ( -0.012 -0.000 -1.065) 1.065 26.618 ( -3.048 -0.000 0.086) 3.049 26.653 ( -0.293 -0.000 0.049) 0.297 36.007 ( -5.405 -0.000 0.602) 5.439 36.352 ( 4.732 0.000 1.424) 4.942 36.463 ( 2.205 0.000 0.039) 2.205 36.548 ( 10.047 0.000 6.693) 12.072 ======================= Grid point 217 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 13.331 -26.040 5.102) 29.696 1.656 ( 14.785 -7.526 13.535) 21.411 2.392 ( 10.113 -2.238 -8.116) 13.159 2.523 ( 20.043 -4.047 18.543) 27.603 2.762 ( 14.194 -0.964 -2.703) 14.481 2.871 ( -5.756 -0.120 -0.407) 5.772 3.281 ( -7.078 -9.112 3.214) 11.977 4.028 ( -2.439 -0.314 15.901) 16.090 4.622 ( 3.813 -5.138 -2.899) 7.024 4.796 ( 0.770 -3.500 0.951) 3.708 4.880 ( 2.969 0.823 -6.728) 7.400 5.354 ( 4.080 0.618 -1.452) 4.374 5.453 ( 2.835 -2.492 -2.610) 4.589 5.532 ( 2.147 -3.248 0.810) 3.977 5.821 ( -2.081 -3.363 -2.912) 4.911 5.944 ( -0.061 -4.232 -2.663) 5.000 6.263 ( 3.777 -2.262 -8.058) 9.182 6.360 ( 10.914 -7.455 0.940) 13.250 6.442 ( 12.740 -7.203 0.674) 14.651 6.982 ( 4.141 5.466 -7.099) 9.870 7.160 ( -6.931 4.263 4.353) 9.228 7.261 ( 8.752 3.277 -3.677) 10.043 8.374 ( -7.252 5.993 12.404) 15.568 9.182 ( -2.214 2.189 -14.131) 14.470 16.421 ( 0.022 -4.277 -0.124) 4.279 16.577 ( 1.009 -4.042 -0.524) 4.199 16.896 ( 2.983 -0.080 1.418) 3.304 17.061 ( 10.622 -0.302 -2.439) 10.902 22.663 ( -1.325 0.330 -0.668) 1.520 22.849 ( -0.786 3.268 0.867) 3.471 26.568 ( -3.036 1.556 -0.096) 3.412 26.633 ( -0.532 1.539 0.266) 1.650 36.026 ( -4.857 -5.972 -0.282) 7.703 36.345 ( 1.288 1.824 2.988) 3.730 36.659 ( 12.948 3.031 7.145) 15.095 36.763 ( 7.791 -21.187 -10.214) 24.778 ======================= Grid point 218 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 7.233 -18.215 5.033) 20.234 1.960 ( 9.487 -10.071 12.348) 18.545 2.481 ( 5.177 1.237 -5.587) 7.716 2.623 ( -3.959 -0.368 1.923) 4.417 2.886 ( 7.816 -0.161 -4.498) 9.019 3.055 ( 18.690 -5.774 13.046) 23.513 3.426 ( -3.788 -10.930 7.215) 13.634 4.090 ( 0.081 -5.433 12.631) 13.750 4.816 ( 5.006 -9.901 -2.972) 11.486 4.873 ( 3.831 -3.708 -10.669) 11.927 4.915 ( 2.728 -2.835 2.334) 4.574 5.391 ( 3.094 -0.786 -2.535) 4.076 5.528 ( 2.557 -3.067 0.278) 4.003 5.666 ( 7.181 -4.594 -4.584) 9.679 5.839 ( 2.631 -0.319 -2.778) 3.839 6.064 ( -1.974 -9.871 0.166) 10.068 6.331 ( 0.781 -2.815 -3.092) 4.253 6.639 ( 10.161 -9.603 1.777) 14.093 6.710 ( 6.021 -6.920 1.956) 9.379 6.864 ( 4.469 5.562 2.375) 7.519 7.094 ( 2.660 -0.256 -5.674) 6.272 7.308 ( 7.340 1.158 -3.401) 8.172 8.141 ( -10.071 11.578 9.155) 17.869 8.992 ( -8.801 10.039 -10.456) 16.958 16.508 ( -0.164 -5.046 0.397) 5.065 16.673 ( 1.364 -4.774 -1.513) 5.190 16.949 ( 3.961 -1.362 1.595) 4.482 17.174 ( 9.138 -1.308 -2.856) 9.663 22.641 ( -0.977 0.510 -0.849) 1.391 22.790 ( -0.231 2.739 1.533) 3.147 26.513 ( -2.100 1.377 -0.389) 2.541 26.595 ( -0.552 1.958 0.242) 2.049 36.069 ( -1.795 -2.155 -1.012) 2.982 36.369 ( -2.196 -4.430 4.351) 6.586 36.722 ( 10.926 5.511 8.782) 15.063 37.192 ( 5.062 -19.755 -15.380) 25.542 ======================= Grid point 219 (100/227) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -0.369 -7.440 9.022) 11.700 2.245 ( 5.725 -8.563 7.756) 12.894 2.473 ( 0.800 -0.821 0.711) 1.349 2.625 ( 2.404 0.053 0.868) 2.557 2.926 ( 2.588 0.425 -2.952) 3.949 3.291 ( 11.129 -0.783 11.880) 16.297 3.584 ( -2.198 -7.692 4.103) 8.990 4.252 ( 1.379 -8.908 8.027) 12.070 4.877 ( 2.779 0.598 -12.223) 12.549 5.009 ( 1.377 -4.352 4.784) 6.612 5.111 ( 5.816 -8.606 -0.284) 10.390 5.440 ( 2.903 -1.894 -3.602) 4.999 5.589 ( -1.223 -2.102 0.620) 2.509 5.776 ( 5.688 -1.213 -4.471) 7.336 5.930 ( 12.240 -1.433 -4.184) 13.014 6.217 ( 1.720 -3.646 0.748) 4.101 6.373 ( -3.751 -6.758 0.064) 7.730 6.719 ( 3.469 -0.147 3.068) 4.634 6.907 ( 6.321 -8.533 -0.098) 10.620 7.040 ( 6.887 -8.184 -0.880) 10.732 7.176 ( 4.892 -4.684 -5.375) 8.646 7.354 ( 6.982 0.888 -2.183) 7.369 7.800 ( -11.580 14.374 5.481) 19.255 8.626 ( -13.807 15.078 -4.753) 20.990 16.591 ( 0.682 -3.692 0.612) 3.804 16.755 ( 1.759 -2.581 -1.220) 3.353 17.019 ( 2.874 -1.634 1.174) 3.508 17.286 ( 5.707 -2.780 -2.968) 7.007 22.622 ( -0.579 0.530 -0.797) 1.119 22.752 ( 0.025 1.628 1.241) 2.047 26.476 ( -1.184 0.779 -0.323) 1.454 26.559 ( -0.386 1.332 -0.004) 1.387 36.066 ( -0.246 0.748 -0.640) 1.015 36.458 ( -1.224 -5.883 3.728) 7.071 36.721 ( 6.049 6.050 9.768) 12.985 37.513 ( 2.391 -14.723 -14.303) 20.665 ======================= Grid point 220 (101/227) ======================= q-point: ( 0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -6.681 2.430 12.655) 14.515 2.417 ( 3.178 -5.026 8.974) 10.765 2.540 ( 1.653 -2.387 -0.332) 2.923 2.644 ( 5.607 3.976 2.071) 7.179 2.968 ( 0.663 -5.250 -1.508) 5.502 3.399 ( 5.763 0.414 11.856) 13.189 3.644 ( -4.440 -2.566 0.486) 5.151 4.438 ( 1.198 -8.485 3.151) 9.130 4.834 ( 2.111 4.826 -11.882) 12.997 5.096 ( 1.209 -2.206 5.455) 6.007 5.218 ( 3.098 0.592 1.752) 3.609 5.475 ( -2.351 -0.944 0.258) 2.547 5.590 ( -1.123 0.043 0.909) 1.445 5.834 ( 2.820 0.263 -3.124) 4.217 6.067 ( 14.687 1.961 -4.846) 15.590 6.224 ( -2.593 0.023 1.206) 2.859 6.486 ( 1.226 -6.268 -4.983) 8.101 6.856 ( 8.079 -3.156 1.085) 8.741 7.059 ( 3.982 -2.078 -1.976) 4.907 7.182 ( -1.244 -3.920 -3.852) 5.635 7.240 ( 2.250 1.886 -3.121) 4.285 7.431 ( -11.217 9.153 2.035) 14.620 7.550 ( 8.631 -12.574 2.535) 15.460 8.191 ( -13.362 15.463 -0.050) 20.436 16.657 ( 2.051 -1.909 0.413) 2.832 16.797 ( 2.126 -0.075 -0.471) 2.178 17.057 ( 0.459 -0.144 0.720) 0.865 17.365 ( 1.124 -1.980 -2.993) 3.761 22.608 ( -0.230 0.434 -0.600) 0.776 22.733 ( -0.020 0.843 0.873) 1.213 26.459 ( -0.402 0.154 -0.037) 0.432 26.543 ( -0.232 -0.004 -0.327) 0.401 36.048 ( -0.425 0.454 0.048) 0.624 36.532 ( 4.281 1.086 1.764) 4.756 36.682 ( -2.150 1.614 10.827) 11.156 37.736 ( 1.698 -10.620 -12.730) 16.665 ======================= Grid point 221 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -5.149 7.490 20.287) 22.230 2.482 ( -1.282 6.494 0.141) 6.621 2.530 ( 1.269 -0.502 4.111) 4.331 2.665 ( 6.371 0.050 1.991) 6.675 3.094 ( -1.744 -7.292 -1.292) 7.608 3.424 ( -0.836 2.411 6.508) 6.991 3.622 ( -2.583 -0.262 5.803) 6.357 4.559 ( -1.745 -3.282 -3.871) 5.367 4.728 ( 1.887 5.387 -7.347) 9.304 5.093 ( 4.642 7.108 1.829) 8.684 5.224 ( 0.158 1.004 8.468) 8.529 5.435 ( -3.540 1.923 2.835) 4.927 5.582 ( 0.567 0.417 -0.411) 0.815 5.777 ( -1.617 5.243 -4.609) 7.166 6.138 ( -5.895 0.877 -0.581) 5.989 6.159 ( 8.548 5.143 -7.567) 12.522 6.606 ( 2.696 -3.885 -3.794) 6.063 6.814 ( -2.271 11.091 1.549) 11.427 7.045 ( 0.158 5.992 -1.136) 6.101 7.172 ( -1.618 0.809 -2.032) 2.720 7.203 ( -7.270 0.473 2.662) 7.757 7.269 ( 1.218 -0.940 -4.049) 4.331 7.798 ( -4.624 9.813 -0.379) 10.854 8.048 ( 10.100 -20.430 2.451) 22.922 16.703 ( 3.314 -0.024 0.196) 3.320 16.806 ( 2.323 1.420 -0.061) 2.724 17.030 ( -1.998 2.297 0.568) 3.096 17.357 ( -3.366 1.147 -3.248) 4.816 22.600 ( 0.113 0.236 -0.283) 0.385 22.723 ( -0.183 0.339 0.655) 0.760 26.463 ( 0.285 -0.676 0.094) 0.740 26.552 ( -0.358 -1.286 -0.555) 1.445 36.048 ( -0.806 -1.152 0.630) 1.541 36.496 ( 3.398 6.918 2.545) 8.117 36.671 ( -3.565 -0.953 8.772) 9.516 37.890 ( 1.435 -7.072 -12.932) 14.809 ======================= Grid point 222 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -1.566 9.349 26.543) 28.185 2.258 ( -0.787 15.647 0.656) 15.680 2.543 ( -2.283 0.325 1.092) 2.551 2.727 ( 5.966 1.277 -0.828) 6.157 3.079 ( -9.822 4.624 -4.579) 11.782 3.359 ( -5.389 -0.382 4.665) 7.138 3.642 ( 1.786 0.089 13.437) 13.555 4.450 ( -5.005 6.982 -11.896) 14.674 4.713 ( 2.971 1.381 0.971) 3.417 4.968 ( 4.041 11.146 -0.129) 11.857 5.206 ( 0.302 3.233 11.984) 12.416 5.334 ( -0.553 7.353 3.144) 8.016 5.577 ( -2.407 0.133 -1.804) 3.011 5.665 ( -1.852 1.762 -6.075) 6.591 5.909 ( -12.430 9.830 -1.850) 15.955 6.171 ( 9.668 5.286 -9.994) 14.876 6.568 ( -3.833 7.819 -0.078) 8.708 6.663 ( 2.008 0.139 -4.260) 4.712 6.862 ( -4.696 10.467 0.426) 11.480 7.046 ( -3.013 9.374 -0.774) 9.876 7.188 ( -9.837 -3.678 6.843) 12.535 7.288 ( 0.100 2.883 -2.413) 3.760 7.683 ( 5.704 -1.654 2.432) 6.418 8.571 ( 12.653 -21.273 -3.225) 24.961 16.725 ( 4.480 2.280 0.036) 5.027 16.796 ( 1.886 2.220 -0.058) 2.914 16.941 ( -3.358 4.179 0.391) 5.375 17.245 ( -6.666 4.377 -3.505) 8.711 22.603 ( 0.614 -0.195 0.217) 0.680 22.718 ( -0.361 -0.014 0.592) 0.693 26.489 ( 0.794 -1.638 0.060) 1.822 26.575 ( -0.891 -1.963 -0.738) 2.279 36.079 ( -0.472 -2.912 1.094) 3.146 36.397 ( -1.923 5.034 3.240) 6.288 36.645 ( -0.072 3.384 6.686) 7.494 37.961 ( -0.641 -2.406 -15.737) 15.933 ======================= Grid point 223 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 2.228 9.303 28.793) 30.340 1.917 ( 0.297 21.909 4.125) 22.296 2.466 ( -4.789 3.725 -3.354) 6.932 2.714 ( -0.006 8.726 -3.694) 9.476 2.743 ( -6.907 15.826 -0.373) 17.272 3.305 ( -8.773 0.136 3.647) 9.502 3.686 ( -0.247 -1.014 14.489) 14.526 4.228 ( -4.915 9.205 -8.890) 13.709 4.679 ( 2.843 6.224 1.045) 6.922 4.827 ( 2.591 6.462 -1.239) 7.072 5.145 ( 3.281 8.378 7.654) 11.813 5.234 ( 1.254 2.828 6.638) 7.324 5.486 ( -7.765 3.913 -2.570) 9.067 5.615 ( -5.618 7.444 -6.508) 11.372 5.666 ( 2.787 -0.179 -2.305) 3.621 6.147 ( 7.852 5.220 -12.302) 15.500 6.439 ( 0.269 6.387 1.359) 6.536 6.563 ( -6.495 9.513 -0.107) 11.519 6.696 ( -0.222 4.641 -1.564) 4.902 6.848 ( 0.236 5.770 -3.915) 6.977 7.036 ( -6.261 11.566 4.208) 13.808 7.240 ( -4.829 -2.180 1.624) 5.542 7.919 ( 6.959 -12.011 7.197) 15.637 9.025 ( 9.591 -16.586 -7.503) 20.577 16.709 ( 4.599 5.074 -0.243) 6.852 16.748 ( 0.091 5.099 -0.989) 5.194 16.842 ( -2.002 2.503 0.195) 3.211 17.072 ( -7.391 5.173 -2.722) 9.424 22.626 ( 1.408 -1.221 0.894) 2.067 22.718 ( -0.410 -0.291 0.703) 0.865 26.536 ( 0.991 -2.366 0.012) 2.565 26.597 ( -1.642 -2.031 -0.820) 2.737 36.145 ( 0.909 -3.860 1.524) 4.248 36.294 ( -4.784 2.858 3.226) 6.439 36.576 ( 1.760 6.218 5.210) 8.301 37.870 ( -6.690 6.141 -20.890) 22.779 ======================= Grid point 224 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.162 23.272 9.095) 25.331 1.591 ( 3.231 15.230 21.527) 26.567 2.209 ( -5.711 26.027 15.129) 30.642 2.334 ( -2.645 3.994 -5.848) 7.560 2.620 ( 5.848 10.279 -7.005) 13.745 3.200 ( -10.711 -0.078 0.631) 10.730 3.674 ( -8.138 1.737 5.123) 9.772 4.041 ( -1.781 4.664 3.967) 6.376 4.594 ( 3.446 5.701 -1.076) 6.748 4.790 ( 3.544 2.040 -0.917) 4.191 4.998 ( -2.446 8.978 6.160) 11.160 5.269 ( 3.178 0.245 3.635) 4.835 5.359 ( 4.350 2.479 -3.797) 6.284 5.502 ( -2.313 1.617 -4.711) 5.492 5.706 ( 4.730 -0.460 -1.350) 4.940 6.096 ( 4.608 5.791 -13.268) 15.192 6.273 ( 2.243 10.708 0.348) 10.946 6.361 ( -0.475 10.020 1.451) 10.135 6.617 ( -3.886 5.034 0.709) 6.399 6.738 ( 0.864 6.988 3.264) 7.761 6.877 ( 5.573 -0.379 -8.812) 10.434 7.243 ( -4.351 -2.839 1.943) 5.547 8.208 ( 3.468 -11.214 11.276) 16.277 9.307 ( 1.456 -8.919 -10.591) 13.922 16.606 ( -2.109 8.487 -2.917) 9.218 16.636 ( 1.847 6.021 -0.127) 6.299 16.822 ( 2.838 0.697 -0.311) 2.939 16.935 ( -4.451 2.395 0.055) 5.055 22.678 ( 0.796 -2.204 0.588) 2.416 22.732 ( 1.359 -1.665 1.474) 2.605 26.590 ( 0.780 -2.441 0.013) 2.563 26.612 ( -2.060 -2.030 -0.477) 2.931 36.177 ( -4.382 1.322 2.030) 5.007 36.271 ( 3.777 -2.932 2.885) 5.585 36.487 ( 0.444 5.664 4.058) 6.982 37.473 ( -15.710 21.584 -23.007) 35.242 ======================= Grid point 227 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 24.292 0.000 4.100) 24.635 1.781 ( 15.028 0.000 13.759) 20.375 2.435 ( 8.218 0.000 -11.513) 14.145 2.666 ( 0.235 0.000 -1.036) 1.063 2.906 ( 17.133 0.000 14.321) 22.330 2.934 ( 16.320 0.000 2.571) 16.521 3.123 ( -5.095 -0.000 5.457) 7.466 4.022 ( -3.518 -0.000 16.547) 16.917 4.591 ( 2.334 0.000 -3.201) 3.961 4.799 ( 2.954 0.000 1.277) 3.219 4.909 ( 3.844 0.000 -10.463) 11.147 5.412 ( 0.886 0.000 0.390) 0.968 5.424 ( 1.482 0.000 -2.176) 2.633 5.502 ( 1.594 0.000 1.855) 2.446 5.716 ( -3.701 -0.000 -3.069) 4.807 5.952 ( 4.870 0.000 -2.657) 5.547 6.323 ( 9.339 0.000 -8.908) 12.906 6.417 ( 12.959 0.000 1.273) 13.021 6.519 ( 14.406 0.000 0.531) 14.416 7.064 ( 2.862 0.000 -4.614) 5.430 7.117 ( -7.852 -0.000 2.710) 8.306 7.339 ( 3.245 0.000 -2.323) 3.991 8.356 ( -10.456 -0.000 12.129) 16.014 9.185 ( 0.659 0.000 -16.644) 16.657 16.387 ( 0.722 0.000 0.386) 0.818 16.546 ( 0.865 0.000 -0.249) 0.900 16.946 ( 5.681 0.000 0.207) 5.685 17.169 ( 10.594 0.000 -1.844) 10.753 22.651 ( -1.171 -0.000 -0.914) 1.485 22.863 ( -2.176 -0.000 0.901) 2.355 26.549 ( -3.116 -0.000 -0.078) 3.117 26.640 ( -0.987 -0.000 0.305) 1.033 35.894 ( -5.492 -0.000 1.267) 5.636 36.486 ( 0.224 0.000 -0.817) 0.847 36.580 ( 12.631 0.000 -1.450) 12.714 36.872 ( 18.215 0.000 2.034) 18.328 ======================= Grid point 228 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 18.564 -13.451 2.519) 23.063 1.977 ( 11.400 -3.369 13.555) 18.029 2.516 ( 4.220 -1.119 -7.858) 8.989 2.589 ( -4.284 0.860 -2.941) 5.267 3.008 ( 9.021 2.915 -0.788) 9.513 3.189 ( 5.053 -6.025 11.795) 14.176 3.251 ( 16.970 -6.051 11.847) 21.563 4.032 ( -2.475 -2.402 14.748) 15.146 4.692 ( 4.091 -8.507 -3.401) 10.033 4.815 ( 1.654 0.483 -4.924) 5.217 4.964 ( 6.854 -2.384 -6.443) 9.704 5.425 ( 2.843 0.807 0.352) 2.977 5.468 ( -0.699 -5.794 -0.063) 5.836 5.608 ( 3.374 -7.072 0.488) 7.851 5.705 ( -5.538 -4.407 -4.589) 8.435 6.012 ( 7.362 0.288 -1.281) 7.479 6.396 ( 9.758 1.725 -5.682) 11.423 6.612 ( 11.967 -5.949 1.511) 13.449 6.708 ( 11.149 -3.692 0.401) 11.751 6.953 ( -8.847 3.333 8.930) 13.004 7.129 ( 7.838 0.650 -10.770) 13.336 7.374 ( 4.861 0.162 -2.675) 5.551 8.202 ( -12.218 5.890 9.662) 16.653 9.066 ( -5.809 8.133 -13.327) 16.658 16.431 ( 0.620 -3.663 0.676) 3.776 16.595 ( 0.974 -4.184 -1.037) 4.419 17.006 ( 6.897 0.787 0.046) 6.942 17.266 ( 9.323 0.603 -1.522) 9.465 22.636 ( -0.854 0.217 -1.063) 1.381 22.825 ( -1.621 1.740 1.322) 2.721 26.512 ( -2.056 0.883 -0.268) 2.254 26.617 ( -1.108 1.268 0.317) 1.713 35.917 ( -5.147 -7.395 0.681) 9.036 36.403 ( 2.169 5.210 1.019) 5.735 36.831 ( 4.425 -8.759 5.262) 11.135 37.062 ( 18.901 -1.177 -7.438) 20.346 ======================= Grid point 229 (108/227) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 7.991 -7.530 4.452) 11.848 2.189 ( 8.135 -6.771 10.720) 15.065 2.485 ( 0.678 1.061 -1.104) 1.675 2.629 ( 2.545 -2.547 -0.542) 3.641 3.021 ( 5.853 4.322 -0.842) 7.324 3.339 ( -0.909 -6.445 12.100) 13.739 3.509 ( 11.728 -1.881 6.191) 13.395 4.122 ( -1.067 -7.036 10.369) 12.576 4.822 ( 0.784 -1.905 -7.776) 8.045 4.939 ( 4.469 -11.152 -2.746) 12.324 5.106 ( 11.327 -3.240 -1.738) 11.909 5.446 ( 1.710 -0.216 -1.111) 2.051 5.547 ( 0.178 -1.718 0.016) 1.728 5.760 ( -0.190 -5.550 -6.618) 8.639 5.835 ( 0.400 -17.022 0.601) 17.037 6.103 ( 8.092 -2.404 -0.483) 8.456 6.429 ( 7.719 4.561 -0.927) 9.013 6.752 ( -0.441 1.703 2.693) 3.217 6.846 ( 7.919 -6.373 0.686) 10.188 6.975 ( 3.199 -6.073 3.441) 7.678 7.202 ( 9.815 -0.465 -10.056) 14.060 7.413 ( 4.070 0.736 -2.305) 4.735 7.934 ( -11.130 11.137 5.904) 16.815 8.737 ( -13.039 14.533 -7.062) 20.763 16.522 ( 0.981 -5.087 0.898) 5.258 16.694 ( 1.013 -5.270 -1.848) 5.675 17.058 ( 5.823 1.041 0.277) 5.922 17.335 ( 6.821 0.878 -1.373) 7.013 22.622 ( -0.501 0.322 -1.027) 1.187 22.782 ( -0.836 1.711 1.239) 2.272 26.479 ( -0.827 0.872 -0.347) 1.251 26.579 ( -1.026 1.569 0.184) 1.884 36.012 ( -2.838 -6.736 -1.529) 7.468 36.373 ( 0.782 -0.155 4.245) 4.319 36.927 ( 3.965 3.725 11.793) 12.987 37.301 ( 10.619 -9.295 -14.453) 20.200 ======================= Grid point 230 (109/227) ======================= q-point: ( 0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.583 -0.063 9.439) 9.457 2.384 ( 4.085 -4.691 9.196) 11.102 2.537 ( 4.945 -1.902 0.513) 5.323 2.710 ( 3.596 -3.132 2.677) 5.469 2.979 ( 3.018 4.636 -0.589) 5.563 3.452 ( 0.523 -4.148 13.146) 13.795 3.576 ( 0.622 1.490 0.252) 1.634 4.276 ( -1.259 -9.240 4.039) 10.163 4.848 ( 0.725 -0.805 -8.239) 8.310 5.122 ( 4.626 -4.858 -0.588) 6.734 5.259 ( 7.339 -0.648 3.046) 7.972 5.444 ( -1.113 0.482 -0.393) 1.275 5.577 ( 0.237 -1.899 2.235) 2.943 5.812 ( -1.020 -2.014 -7.557) 7.887 6.177 ( 10.621 -8.826 -4.680) 14.581 6.265 ( 4.898 -7.550 -2.431) 9.322 6.407 ( 7.734 4.828 1.348) 9.216 6.824 ( 5.711 -7.941 1.288) 9.865 6.987 ( -1.725 -5.323 -1.913) 5.914 7.101 ( 1.318 -3.263 2.527) 4.332 7.292 ( 7.052 -0.061 -6.849) 9.831 7.405 ( -2.999 1.288 -0.742) 3.347 7.642 ( -2.481 10.882 2.767) 11.499 8.296 ( -16.421 14.904 -1.365) 22.218 16.627 ( 2.053 -4.379 0.778) 4.898 16.783 ( 1.132 -3.539 -1.659) 4.070 17.082 ( 2.876 1.556 0.064) 3.270 17.371 ( 3.303 0.882 -1.293) 3.655 22.611 ( -0.203 0.322 -0.823) 0.907 22.751 ( -0.446 1.208 0.927) 1.586 26.462 ( 0.049 0.536 -0.161) 0.562 26.546 ( -0.843 0.907 -0.082) 1.241 36.063 ( 0.434 -0.715 -3.308) 3.412 36.448 ( -0.841 -6.572 7.036) 9.664 36.856 ( 2.128 9.305 10.665) 14.312 37.539 ( 5.038 -10.544 -13.359) 17.749 ======================= Grid point 231 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 1.512 4.609 16.695) 17.386 2.479 ( -0.050 -2.044 7.243) 7.526 2.597 ( 3.573 0.728 -0.169) 3.651 2.787 ( 5.772 2.518 4.686) 7.850 2.966 ( -0.607 -3.247 -1.006) 3.453 3.477 ( -3.231 5.333 0.965) 6.309 3.570 ( -0.668 -4.613 9.207) 10.319 4.416 ( -2.918 -7.740 -2.021) 8.515 4.819 ( 1.743 3.592 -7.714) 8.686 5.233 ( 3.906 -2.150 3.765) 5.836 5.287 ( 2.595 3.005 4.624) 6.094 5.424 ( 1.780 1.988 0.516) 2.717 5.605 ( -0.136 -0.235 1.529) 1.553 5.786 ( -4.776 0.341 -7.320) 8.747 6.192 ( 1.551 8.793 -0.236) 8.931 6.396 ( 16.875 6.098 -3.337) 18.250 6.530 ( 4.060 -7.375 -6.329) 10.532 6.928 ( -7.617 2.568 2.940) 8.559 7.077 ( 0.470 -3.312 -6.163) 7.012 7.137 ( 1.514 2.038 -0.220) 2.548 7.241 ( -4.281 2.068 -1.435) 4.966 7.294 ( 1.353 5.195 -1.842) 5.675 7.709 ( 4.224 -14.346 2.871) 15.228 7.929 ( -10.973 6.817 2.757) 13.209 16.720 ( 3.316 -2.610 0.412) 4.239 16.835 ( 1.254 -1.063 -0.890) 1.869 17.058 ( -0.233 2.586 -0.215) 2.605 17.358 ( -0.414 2.280 -1.580) 2.805 22.604 ( 0.046 0.196 -0.510) 0.548 22.731 ( -0.336 0.745 0.660) 1.051 26.461 ( 0.593 0.003 0.077) 0.598 26.531 ( -0.763 -0.247 -0.372) 0.884 36.058 ( 1.635 1.167 -2.776) 3.426 36.579 ( -0.638 -6.457 7.833) 10.171 36.694 ( -1.006 10.601 8.510) 13.631 37.736 ( 2.822 -9.064 -12.809) 15.943 ======================= Grid point 232 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 3.860 8.394 23.678) 25.417 2.474 ( -0.512 3.859 1.694) 4.245 2.568 ( 2.002 5.703 2.279) 6.460 2.802 ( 4.251 0.925 2.246) 4.896 3.017 ( -4.203 -2.404 -1.180) 4.984 3.311 ( -8.679 4.440 -1.748) 9.904 3.665 ( 1.664 -2.566 11.893) 12.280 4.449 ( -4.054 -0.071 -6.841) 7.952 4.771 ( 3.302 2.559 -4.201) 5.924 5.216 ( 1.391 7.384 1.971) 7.768 5.294 ( 4.170 1.950 9.733) 10.767 5.418 ( 3.490 2.054 0.178) 4.053 5.567 ( -6.176 2.499 -0.575) 6.688 5.701 ( 0.424 2.611 -6.508) 7.025 5.983 ( -3.141 12.487 -0.836) 12.904 6.415 ( 12.961 9.037 -5.753) 16.815 6.594 ( -1.302 0.868 -8.857) 8.994 6.743 ( -4.554 8.525 1.802) 9.831 6.945 ( -11.108 0.211 4.944) 12.161 7.082 ( 0.462 4.386 -1.763) 4.750 7.182 ( 0.494 7.786 0.745) 7.837 7.321 ( 3.759 -1.519 -3.673) 5.471 7.719 ( -2.643 1.392 1.454) 3.322 8.222 ( 4.817 -26.205 1.313) 26.676 16.788 ( 3.861 -0.607 0.098) 3.909 16.846 ( 0.703 0.902 -0.282) 1.178 16.987 ( -1.722 3.927 -0.333) 4.301 17.271 ( -2.593 5.051 -2.161) 6.075 22.605 ( 0.324 -0.144 -0.104) 0.370 22.719 ( -0.331 0.379 0.515) 0.720 26.476 ( 0.871 -0.798 0.176) 1.195 26.535 ( -0.984 -1.170 -0.615) 1.648 36.063 ( 2.322 -0.159 -1.827) 2.959 36.498 ( -5.000 8.629 7.543) 12.504 36.674 ( 1.177 -1.795 7.055) 7.375 37.867 ( 1.152 -5.219 -14.164) 15.138 ======================= Grid point 233 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.191 9.801 26.122) 28.379 2.320 ( 6.197 16.392 2.431) 17.692 2.468 ( -5.468 3.659 1.034) 6.660 2.835 ( 1.803 0.315 -0.870) 2.026 2.895 ( -2.244 10.318 -3.838) 11.235 3.179 ( -12.486 -1.298 1.010) 12.594 3.720 ( 0.461 0.480 12.039) 12.057 4.330 ( -2.327 7.247 -5.001) 9.108 4.766 ( 2.346 1.496 -3.472) 4.449 5.061 ( 4.136 12.329 0.230) 13.006 5.312 ( 4.446 3.085 11.487) 12.698 5.357 ( -1.247 7.956 3.177) 8.657 5.455 ( -1.790 0.550 -5.211) 5.538 5.678 ( -2.859 4.696 -6.637) 8.618 5.727 ( 1.861 7.680 -1.462) 8.036 6.312 ( 3.235 8.275 -7.064) 11.351 6.513 ( 0.745 2.812 -1.542) 3.293 6.644 ( -2.318 4.164 -3.243) 5.765 6.816 ( 0.916 6.449 1.075) 6.602 7.003 ( -0.690 9.763 -1.232) 9.865 7.044 ( -4.212 0.442 4.601) 6.253 7.278 ( -0.124 7.014 -1.079) 7.098 7.806 ( 3.618 -8.523 3.943) 10.064 8.716 ( 2.353 -23.371 -3.704) 23.779 16.807 ( 0.637 2.241 -0.082) 2.331 16.817 ( -0.983 2.277 -0.103) 2.482 16.899 ( 1.162 4.123 -0.600) 4.325 17.130 ( -1.155 7.338 -2.440) 7.819 22.618 ( 0.613 -0.852 0.348) 1.106 22.713 ( -0.239 0.023 0.549) 0.599 26.508 ( 0.865 -1.711 0.178) 1.926 26.546 ( -1.485 -1.525 -0.809) 2.277 36.113 ( 3.514 -2.349 -0.853) 4.312 36.320 ( -6.085 5.515 5.767) 10.036 36.688 ( 1.084 3.070 7.120) 7.829 37.872 ( -1.789 2.151 -17.321) 17.545 ======================= Grid point 234 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.870 11.327 19.885) 23.397 2.043 ( 5.356 21.613 9.216) 24.099 2.359 ( -1.307 2.568 -1.783) 3.388 2.625 ( 2.872 17.908 2.031) 18.251 2.824 ( 4.911 5.774 -4.289) 8.710 3.063 ( -13.731 -1.418 0.307) 13.807 3.683 ( -3.724 4.160 9.579) 11.087 4.158 ( -0.835 8.705 2.603) 9.124 4.745 ( 3.822 3.846 -2.650) 6.036 4.898 ( 4.462 9.303 -3.728) 10.971 5.155 ( -4.883 10.038 6.217) 12.777 5.348 ( 5.233 2.821 5.358) 8.003 5.444 ( 4.674 1.769 -2.855) 5.755 5.515 ( 0.141 3.001 -8.076) 8.617 5.733 ( 3.331 -0.077 -2.913) 4.426 6.211 ( 0.815 4.980 -7.269) 8.849 6.491 ( 0.522 8.493 0.345) 8.516 6.507 ( 5.688 2.808 0.202) 6.347 6.713 ( 2.070 7.383 -0.704) 7.700 6.874 ( -1.091 11.759 4.643) 12.689 6.944 ( 1.664 1.175 -2.973) 3.604 7.181 ( -0.724 1.164 -1.106) 1.761 8.038 ( 0.927 -12.031 8.008) 14.482 9.064 ( -2.701 -15.895 -8.147) 18.064 16.701 ( -4.424 6.230 -0.767) 7.679 16.740 ( -0.814 4.140 -0.443) 4.243 16.888 ( 3.986 1.517 -0.092) 4.266 17.006 ( 3.919 6.900 -2.113) 8.211 22.648 ( 0.187 -1.640 0.321) 1.682 22.720 ( 0.546 -0.917 1.104) 1.535 26.553 ( 0.370 -2.377 0.317) 2.426 26.555 ( -1.797 -1.599 -0.921) 2.575 36.159 ( -3.607 1.159 2.642) 4.619 36.261 ( 4.480 -3.094 1.561) 5.664 36.614 ( -0.438 6.698 7.068) 9.748 37.661 ( -5.130 14.105 -20.287) 25.235 ======================= Grid point 238 (114/227) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 22.554 0.000 1.693) 22.618 2.087 ( 9.197 0.000 13.080) 15.990 2.534 ( 4.217 0.000 -6.641) 7.867 2.546 ( -3.435 -0.000 -4.000) 5.272 3.112 ( 0.674 0.000 11.388) 11.408 3.133 ( 5.801 0.000 1.517) 5.996 3.489 ( 22.504 0.000 11.151) 25.115 4.003 ( -3.514 -0.000 15.129) 15.532 4.635 ( 3.082 0.000 -3.114) 4.381 4.875 ( 4.205 0.000 -2.392) 4.838 4.945 ( 3.029 0.000 -10.896) 11.309 5.362 ( -3.975 -0.000 1.032) 4.106 5.445 ( -0.940 -0.000 0.544) 1.086 5.573 ( 2.617 0.000 0.375) 2.644 5.649 ( 0.629 0.000 -4.474) 4.518 6.125 ( 12.181 0.000 -1.951) 12.336 6.512 ( 9.928 0.000 -4.435) 10.873 6.682 ( 10.960 0.000 1.917) 11.127 6.803 ( 11.709 0.000 0.174) 11.710 6.866 ( -12.686 -0.000 8.038) 15.018 7.215 ( 9.756 0.000 -10.244) 14.146 7.426 ( 6.036 0.000 -2.950) 6.718 8.137 ( -12.857 -0.000 8.653) 15.498 9.054 ( -8.808 -0.000 -12.795) 15.533 16.403 ( 0.402 0.000 1.092) 1.163 16.563 ( 0.951 0.000 -0.891) 1.303 17.097 ( 8.359 0.000 -1.080) 8.428 17.366 ( 8.408 0.000 -0.703) 8.437 22.629 ( -0.585 -0.000 -1.170) 1.308 22.822 ( -1.996 -0.000 1.219) 2.339 26.501 ( -1.251 -0.000 -0.266) 1.279 26.616 ( -1.411 -0.000 0.297) 1.442 35.796 ( -4.264 -0.000 1.986) 4.704 36.471 ( -1.078 -0.000 -1.776) 2.077 36.797 ( 7.614 0.000 1.780) 7.819 37.265 ( 18.307 0.000 -1.064) 18.338 ======================= Grid point 239 (115/227) ======================= q-point: ( 0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 15.523 -3.759 1.993) 16.096 2.200 ( 5.269 -2.769 10.367) 11.954 2.516 ( 2.343 0.804 -0.666) 2.565 2.596 ( 1.953 -3.121 -1.909) 4.147 3.149 ( 4.600 2.813 1.885) 5.712 3.215 ( -0.438 -5.861 12.649) 13.948 3.679 ( 12.897 2.468 6.027) 14.449 4.027 ( -2.038 -3.554 12.734) 13.377 4.774 ( 4.629 -10.531 -3.157) 11.929 4.840 ( 2.792 2.662 -6.309) 7.396 5.087 ( 6.360 -8.486 -5.725) 12.051 5.411 ( -3.080 -7.298 -1.846) 8.134 5.436 ( -5.060 -4.490 -0.811) 6.813 5.597 ( 0.575 -0.154 1.484) 1.599 5.709 ( 3.504 -4.871 -2.004) 6.326 6.239 ( 14.428 2.272 -2.469) 14.813 6.576 ( 7.639 2.492 -1.290) 8.138 6.750 ( -7.711 0.257 4.481) 8.922 6.833 ( 7.795 -4.018 0.024) 8.769 6.935 ( 6.689 -2.867 2.185) 7.598 7.292 ( 8.818 0.593 -8.732) 12.424 7.480 ( 6.216 1.046 -3.234) 7.085 7.975 ( -10.446 5.409 5.711) 13.076 8.820 ( -13.938 10.258 -8.699) 19.369 16.445 ( 0.273 -3.917 1.273) 4.127 16.610 ( 0.781 -3.991 -1.411) 4.304 17.163 ( 7.645 2.043 -1.167) 7.999 17.430 ( 6.489 1.504 -0.309) 6.668 22.621 ( -0.306 0.155 -1.141) 1.191 22.796 ( -1.536 0.914 1.092) 2.094 26.488 ( -0.033 0.591 -0.283) 0.656 26.591 ( -1.411 1.038 0.192) 1.762 35.830 ( -3.256 -7.239 1.540) 8.085 36.428 ( 0.305 2.494 -0.655) 2.596 36.915 ( 1.614 -4.635 4.321) 6.539 37.416 ( 16.474 2.860 -3.473) 17.077 ======================= Grid point 240 (116/227) ======================= q-point: ( 0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 3.928 0.012 6.414) 7.521 2.364 ( 5.830 -4.824 6.959) 10.280 2.569 ( 5.868 -1.275 1.419) 6.171 2.670 ( 0.875 -3.542 2.832) 4.618 3.111 ( 2.299 5.197 2.191) 6.090 3.350 ( -0.185 -6.551 11.907) 13.591 3.689 ( 3.061 5.835 2.506) 7.050 4.123 ( -1.356 -6.678 6.814) 9.637 4.843 ( 3.188 -0.519 -4.745) 5.740 5.010 ( 2.811 -9.557 -2.805) 10.349 5.293 ( 6.062 -4.687 -3.806) 8.556 5.409 ( -3.084 -2.854 -0.933) 4.304 5.566 ( -1.486 -2.658 2.013) 3.650 5.666 ( -2.013 -10.314 -4.590) 11.467 5.901 ( 3.911 -16.108 -1.685) 16.661 6.349 ( 14.294 1.852 -2.129) 14.570 6.596 ( 6.868 2.786 0.862) 7.461 6.745 ( -1.319 -5.142 1.080) 5.417 6.919 ( 1.578 0.422 -1.696) 2.355 7.065 ( 3.393 -4.197 3.164) 6.256 7.333 ( 2.490 0.286 -5.360) 5.917 7.481 ( 4.312 5.123 -4.171) 7.889 7.776 ( -4.077 7.721 2.873) 9.192 8.399 ( -17.055 15.865 -3.651) 23.577 16.544 ( 0.569 -6.060 1.148) 6.194 16.701 ( 0.369 -5.331 -1.808) 5.641 17.175 ( 4.940 3.758 -1.080) 6.300 17.448 ( 4.170 2.653 -0.027) 4.943 22.613 ( -0.108 0.232 -0.981) 1.014 22.766 ( -0.994 1.026 0.876) 1.676 26.479 ( 0.896 0.813 -0.178) 1.223 26.555 ( -1.171 1.252 0.006) 1.714 35.960 ( -1.451 -8.620 -0.813) 8.779 36.410 ( 1.286 0.153 2.826) 3.108 36.962 ( -3.389 0.384 8.590) 9.242 37.517 ( 12.844 0.946 -8.260) 15.300 ======================= Grid point 241 (117/227) ======================= q-point: ( 0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 3.916 0.006 10.450) 11.160 2.463 ( 0.537 -1.253 8.885) 8.989 2.641 ( 3.724 0.178 1.444) 3.998 2.771 ( 0.842 -5.909 4.620) 7.548 3.030 ( 1.133 6.108 1.931) 6.505 3.478 ( -0.072 -4.687 5.832) 7.482 3.574 ( -1.521 6.399 3.692) 7.542 4.249 ( -1.305 -7.791 1.254) 7.998 4.871 ( 2.900 0.942 -4.121) 5.126 5.160 ( -0.299 -6.225 -0.914) 6.299 5.325 ( 0.670 0.092 -1.718) 1.846 5.498 ( 0.756 -4.340 1.578) 4.679 5.553 ( -2.838 1.151 4.903) 5.780 5.732 ( -1.226 -1.560 -8.669) 8.893 6.322 ( 6.143 -15.498 -5.876) 17.676 6.442 ( 12.484 1.364 -2.147) 12.741 6.639 ( 8.813 1.142 0.191) 8.888 6.815 ( -9.525 2.598 -0.164) 9.875 6.958 ( 6.572 -11.490 -0.841) 13.263 7.140 ( 0.040 -2.610 1.056) 2.815 7.284 ( -5.907 6.504 -3.370) 9.410 7.384 ( 2.958 5.929 -4.593) 8.062 7.661 ( 0.959 3.173 3.612) 4.903 7.957 ( -14.894 11.670 0.975) 18.947 16.665 ( 0.978 -5.953 0.754) 6.080 16.788 ( 0.072 -4.138 -1.558) 4.422 17.130 ( 1.565 4.603 -1.122) 4.989 17.424 ( 2.053 3.623 -0.059) 4.164 22.607 ( 0.003 0.191 -0.735) 0.759 22.742 ( -0.627 0.835 0.677) 1.244 26.477 ( 1.218 0.697 0.037) 1.404 26.527 ( -0.769 0.700 -0.237) 1.067 36.064 ( 1.201 -3.016 -4.162) 5.278 36.475 ( 0.697 -5.051 7.759) 9.284 36.856 ( -5.334 7.393 9.545) 13.199 37.638 ( 8.295 -3.874 -10.931) 14.258 ======================= Grid point 242 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 6.138 3.479 15.961) 17.451 2.469 ( -3.576 0.120 9.012) 9.696 2.666 ( 2.581 0.032 0.786) 2.698 2.871 ( -0.664 -1.238 7.775) 7.901 2.930 ( -2.383 2.713 -1.548) 3.928 3.362 ( -3.672 8.631 -6.407) 11.359 3.629 ( 0.981 -4.793 11.356) 12.365 4.365 ( -0.237 -5.314 -1.486) 5.523 4.848 ( 2.164 3.221 -4.409) 5.873 5.226 ( -2.348 -2.823 -0.226) 3.679 5.353 ( 3.061 -0.419 3.551) 4.707 5.482 ( -10.473 -0.771 3.964) 11.225 5.536 ( 3.125 2.876 -0.424) 4.269 5.725 ( 1.914 0.369 -8.244) 8.472 6.318 ( 9.155 17.236 -0.442) 19.521 6.548 ( 0.499 -1.262 -7.206) 7.333 6.672 ( -2.569 2.586 1.112) 3.811 6.777 ( 6.568 -2.934 -0.794) 7.237 6.933 ( -8.545 16.117 -5.915) 19.177 7.163 ( 0.492 1.901 -1.463) 2.449 7.261 ( 1.741 -7.930 -2.354) 8.453 7.324 ( 3.132 1.929 -0.448) 3.706 7.673 ( -6.314 -0.229 2.531) 6.806 7.831 ( -1.616 -14.993 4.954) 15.873 16.766 ( 0.060 -4.110 0.359) 4.126 16.838 ( -0.311 -1.549 -0.869) 1.803 17.050 ( -0.099 4.364 -0.992) 4.477 17.361 ( 1.385 5.105 -0.784) 5.348 22.605 ( 0.090 -0.039 -0.437) 0.448 22.725 ( -0.397 0.593 0.555) 0.904 26.480 ( 0.929 0.137 0.277) 0.979 26.514 ( -0.348 -0.032 -0.544) 0.646 36.094 ( 3.049 0.362 -4.381) 5.350 36.570 ( -4.471 0.662 11.381) 12.246 36.679 ( -1.971 3.468 6.198) 7.371 37.774 ( 5.069 -4.977 -12.223) 14.137 ======================= Grid point 243 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 6.043 8.512 19.587) 22.195 2.426 ( -5.278 0.659 5.332) 7.531 2.673 ( 6.622 9.913 4.555) 12.762 2.788 ( -5.353 -1.458 1.353) 5.711 2.926 ( -7.588 -2.885 2.704) 8.556 3.157 ( -0.595 9.599 -7.988) 12.501 3.723 ( 0.108 -2.576 9.236) 9.589 4.403 ( 0.929 1.784 -0.785) 2.159 4.806 ( 1.081 2.155 -4.820) 5.390 5.215 ( -1.206 1.755 -1.064) 2.381 5.355 ( -7.760 1.437 10.517) 13.149 5.432 ( 4.708 -0.108 -0.958) 4.806 5.498 ( 2.152 3.364 -1.722) 4.349 5.712 ( 0.356 2.212 -7.358) 7.691 6.038 ( 6.013 19.466 -1.501) 20.429 6.475 ( -6.899 12.497 -1.331) 14.336 6.559 ( 2.104 1.825 -5.689) 6.334 6.659 ( -5.247 0.537 3.654) 6.416 6.890 ( 9.164 2.062 -4.472) 10.403 7.092 ( 0.527 3.914 -2.218) 4.530 7.184 ( -0.583 8.855 0.342) 8.881 7.397 ( 4.371 3.190 -0.406) 5.426 7.676 ( -3.028 -6.833 2.273) 7.812 8.248 ( -2.486 -27.083 0.910) 27.212 16.797 ( -3.536 -0.917 0.114) 3.654 16.829 ( -1.780 1.145 -0.306) 2.138 16.988 ( 2.292 3.297 -0.454) 4.041 17.276 ( 3.493 6.618 -2.012) 7.749 22.610 ( 0.150 -0.504 -0.144) 0.545 22.715 ( -0.171 0.300 0.552) 0.652 26.493 ( 0.046 -0.817 0.454) 0.936 26.516 ( 0.059 -0.410 -0.869) 0.962 36.126 ( 4.336 -0.697 -3.020) 5.330 36.382 ( -7.777 7.863 7.694) 13.472 36.726 ( 0.670 -1.351 8.085) 8.224 37.852 ( 2.334 -1.111 -14.049) 14.285 ======================= Grid point 244 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.549 10.258 18.624) 21.743 2.345 ( -5.480 4.761 1.541) 7.421 2.474 ( 4.563 13.383 4.918) 14.971 2.836 ( -12.932 -4.079 5.149) 14.505 2.869 ( 4.432 1.114 1.658) 4.861 2.990 ( 3.985 9.267 -7.500) 12.570 3.737 ( -1.773 2.218 7.725) 8.230 4.321 ( 1.087 7.999 3.182) 8.677 4.783 ( 0.955 0.253 -5.164) 5.258 5.139 ( 2.373 7.212 -2.606) 8.027 5.253 ( -4.004 5.875 9.050) 11.508 5.451 ( -1.255 2.047 -5.367) 5.880 5.502 ( 8.877 1.602 1.644) 9.169 5.619 ( 2.880 5.256 -6.160) 8.595 5.822 ( 3.491 8.931 -2.389) 9.882 6.265 ( -2.892 4.254 -1.450) 5.345 6.561 ( 2.327 0.922 1.382) 2.859 6.590 ( -1.817 2.972 0.631) 3.540 6.905 ( 6.181 6.710 -2.519) 9.465 7.015 ( 2.796 6.261 -4.110) 7.994 7.071 ( 6.189 4.265 -0.545) 7.536 7.284 ( 0.907 10.211 0.552) 10.266 7.822 ( -4.046 -11.354 5.132) 13.100 8.657 ( -6.181 -22.495 -3.849) 23.644 16.727 ( -5.362 2.875 -0.062) 6.084 16.780 ( -1.473 1.907 -0.068) 2.410 16.969 ( 3.551 2.758 0.409) 4.515 17.198 ( 6.584 7.268 -3.224) 10.323 22.625 ( -0.081 -1.027 -0.080) 1.033 22.715 ( 0.267 -0.319 0.831) 0.929 26.506 ( -1.505 -1.325 -0.008) 2.005 26.530 ( 0.727 -0.983 -0.523) 1.330 36.158 ( -3.038 2.115 2.571) 4.507 36.265 ( 3.543 -1.356 1.108) 3.952 36.719 ( -0.964 3.762 8.597) 9.433 37.789 ( -0.257 6.955 -16.159) 17.594 ======================= Grid point 249 (121/227) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 17.177 0.000 0.559) 17.186 2.209 ( -1.225 -0.000 8.513) 8.601 2.564 ( 4.562 0.000 2.909) 5.411 2.569 ( 0.605 0.000 -2.516) 2.588 3.202 ( 3.078 0.000 15.409) 15.713 3.215 ( 2.286 0.000 3.735) 4.379 3.814 ( 4.293 0.000 3.876) 5.784 4.014 ( 1.435 0.000 12.295) 12.378 4.700 ( 3.948 0.000 -2.002) 4.427 4.946 ( 3.782 0.000 -6.161) 7.229 4.967 ( 2.117 0.000 -6.600) 6.932 5.272 ( -4.740 -0.000 -1.321) 4.921 5.378 ( -2.753 -0.000 -5.750) 6.375 5.590 ( -1.149 -0.000 1.842) 2.171 5.714 ( 3.973 0.000 1.400) 4.212 6.423 ( 16.335 0.000 -3.782) 16.767 6.615 ( -7.519 -0.000 0.935) 7.577 6.716 ( 4.720 0.000 1.801) 5.052 6.858 ( 5.109 0.000 0.624) 5.147 6.994 ( 6.181 0.000 1.872) 6.458 7.356 ( 3.548 0.000 -5.188) 6.286 7.549 ( 5.790 0.000 -3.657) 6.848 7.954 ( -3.715 -0.000 2.080) 4.258 8.741 ( -16.978 -0.000 -7.690) 18.638 16.410 ( -0.171 -0.000 1.614) 1.623 16.578 ( 0.779 0.000 -1.351) 1.559 17.260 ( 7.070 0.000 -1.744) 7.282 17.506 ( 4.856 0.000 0.119) 4.857 22.618 ( -0.126 -0.000 -1.144) 1.151 22.788 ( -1.619 -0.000 0.929) 1.867 26.498 ( 1.046 0.000 -0.196) 1.064 26.585 ( -1.464 -0.000 0.069) 1.465 35.739 ( -1.760 -0.000 2.658) 3.188 36.434 ( -1.643 -0.000 -2.645) 3.114 36.902 ( 1.663 0.000 2.907) 3.349 37.615 ( 15.243 0.000 -0.080) 15.243 ======================= Grid point 250 (122/227) ======================= q-point: ( 0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -2.022 0.702 6.641) 6.978 2.374 ( 10.241 -3.452 2.171) 11.023 2.587 ( 0.194 -2.431 0.140) 2.442 2.635 ( 3.226 -1.644 3.760) 5.220 3.208 ( 0.976 3.334 7.343) 8.123 3.305 ( 4.148 -3.165 13.606) 14.572 3.801 ( -0.811 3.327 2.208) 4.074 4.051 ( -0.352 -1.280 8.627) 8.729 4.850 ( 3.386 -9.054 -2.664) 10.026 4.889 ( 3.435 1.266 -4.369) 5.700 5.180 ( 4.130 -13.755 -5.335) 15.321 5.286 ( -7.021 -8.954 -3.073) 11.786 5.343 ( -1.771 0.073 -7.324) 7.535 5.608 ( -1.359 -2.705 4.343) 5.294 5.773 ( 2.171 -3.275 1.037) 4.064 6.546 ( 0.832 0.019 -3.044) 3.156 6.558 ( 6.186 -0.396 -1.949) 6.498 6.751 ( 5.713 2.223 1.644) 6.347 6.948 ( 3.675 -3.217 -0.564) 4.917 7.051 ( 2.425 -0.727 3.656) 4.447 7.336 ( -3.738 1.051 -1.579) 4.191 7.584 ( 3.856 1.241 -4.195) 5.831 7.899 ( 3.730 6.611 -1.528) 7.743 8.449 ( -18.219 9.863 -4.906) 21.290 16.449 ( -0.275 -4.226 1.571) 4.517 16.617 ( 0.430 -3.656 -1.573) 4.004 17.291 ( 4.618 3.192 -1.779) 5.889 17.529 ( 2.861 1.836 0.357) 3.418 22.614 ( -0.049 0.129 -1.055) 1.064 22.769 ( -1.279 0.498 0.791) 1.584 26.507 ( 1.802 0.671 -0.063) 1.924 26.563 ( -1.067 0.854 -0.117) 1.372 35.799 ( -0.265 -6.847 2.175) 7.189 36.418 ( -0.717 -0.526 -1.773) 1.984 36.918 ( -2.808 -0.841 4.068) 5.014 37.722 ( 13.549 4.512 -1.197) 14.331 ======================= Grid point 251 (123/227) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -3.093 -3.005 7.626) 8.761 2.487 ( 3.387 -0.253 5.820) 6.738 2.671 ( 1.516 -5.512 -0.558) 5.744 2.685 ( 0.635 -0.514 4.917) 4.985 3.147 ( 0.238 5.492 8.105) 9.793 3.429 ( 3.416 -3.557 10.328) 11.445 3.687 ( -2.587 7.172 0.298) 7.630 4.118 ( -1.145 -6.105 5.404) 8.233 4.905 ( 3.282 -0.005 -2.283) 3.998 5.030 ( 0.083 -7.557 -3.073) 8.158 5.320 ( 0.187 -0.632 -5.704) 5.742 5.324 ( -6.943 -7.077 -2.522) 10.230 5.513 ( 0.394 -10.327 -1.841) 10.498 5.661 ( -0.694 -3.794 1.554) 4.158 5.966 ( 2.231 -19.235 -1.850) 19.452 6.544 ( -6.300 -4.102 -4.268) 8.645 6.654 ( 10.023 0.521 -0.615) 10.055 6.781 ( 3.893 -0.109 0.084) 3.895 7.006 ( 5.545 2.218 1.052) 6.064 7.066 ( -4.977 -2.234 3.099) 6.274 7.283 ( -2.790 -0.055 -2.989) 4.089 7.553 ( 2.910 5.997 -5.159) 8.429 7.780 ( 2.291 9.575 0.812) 9.879 8.041 ( -14.397 13.744 -1.893) 19.994 16.550 ( -0.370 -6.619 1.179) 6.734 16.700 ( 0.189 -5.121 -1.683) 5.394 17.239 ( 1.415 5.514 -1.622) 5.920 17.505 ( 1.155 3.047 0.412) 3.284 22.609 ( -0.075 0.173 -0.901) 0.920 22.749 ( -0.845 0.623 0.701) 1.263 26.507 ( 1.044 1.131 0.083) 1.542 26.540 ( 0.476 1.094 -0.284) 1.226 35.956 ( 1.383 -8.617 -0.312) 8.733 36.439 ( 0.570 -2.060 1.812) 2.802 36.869 ( -7.531 1.607 6.236) 9.909 37.754 ( 11.582 5.078 -4.734) 13.504 ======================= Grid point 252 (124/227) ======================= q-point: (-0.30 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -4.870 -6.009 8.810) 11.723 2.502 ( 0.699 1.839 9.382) 9.587 2.682 ( -0.934 1.118 4.328) 4.567 2.776 ( -0.917 -4.855 0.405) 4.958 3.048 ( -0.038 6.958 7.704) 10.381 3.474 ( -0.359 5.790 -7.060) 9.137 3.582 ( -0.028 -1.759 12.059) 12.186 4.257 ( 1.590 -7.682 3.340) 8.526 4.904 ( 0.244 2.017 -3.268) 3.848 5.120 ( -2.932 -4.949 -3.262) 6.613 5.322 ( -10.568 -3.914 6.685) 13.103 5.373 ( 4.566 -2.275 -6.487) 8.253 5.581 ( -0.695 -0.231 3.530) 3.605 5.717 ( 1.611 -2.140 -7.638) 8.094 6.386 ( -1.468 -18.006 -2.500) 18.238 6.494 ( -9.336 -0.842 -6.768) 11.562 6.704 ( 7.875 4.783 -2.267) 9.488 6.835 ( 1.997 -2.668 5.950) 6.820 7.039 ( -2.507 -1.636 -1.331) 3.276 7.113 ( -0.721 -6.911 -1.756) 7.167 7.202 ( 3.559 7.064 -4.369) 9.036 7.398 ( 0.139 9.303 -3.790) 10.047 7.667 ( -1.891 2.986 5.394) 6.448 7.743 ( -4.400 6.427 0.635) 7.814 16.663 ( -1.360 -6.088 0.713) 6.278 16.785 ( 0.139 -3.957 -1.440) 4.214 17.135 ( -0.659 5.491 -1.105) 5.640 17.453 ( 0.635 3.543 -0.222) 3.607 22.604 ( -0.117 0.055 -0.700) 0.712 22.732 ( -0.483 0.578 0.657) 0.999 26.493 ( -0.195 0.748 0.073) 0.776 26.533 ( 1.897 1.198 -0.304) 2.264 36.093 ( 3.026 -3.815 -3.959) 6.276 36.516 ( 0.299 -4.463 7.645) 8.858 36.722 ( -9.482 5.278 6.854) 12.835 37.792 ( 9.099 1.206 -8.485) 12.500 ======================= Grid point 253 (125/227) ======================= q-point: (-0.20 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -7.971 -5.501 8.291) 12.749 2.470 ( 1.496 5.406 13.389) 14.516 2.656 ( -5.858 -1.444 4.145) 7.320 2.808 ( -4.988 -1.520 -2.906) 5.970 2.937 ( 4.148 8.021 9.653) 13.218 3.326 ( 1.932 8.212 -6.696) 10.770 3.670 ( -0.264 -4.336 7.540) 8.702 4.406 ( 3.543 -4.172 2.886) 6.188 4.838 ( -2.594 2.448 -4.835) 6.008 5.144 ( -5.253 -3.315 -3.576) 7.167 5.291 ( -6.902 -2.112 11.820) 13.850 5.447 ( 2.650 -1.200 -4.328) 5.215 5.577 ( 3.514 0.928 0.295) 3.647 5.737 ( 1.531 0.720 -8.018) 8.195 6.274 ( -11.605 6.503 -1.653) 13.405 6.570 ( -2.471 -1.262 0.216) 2.783 6.616 ( -5.261 5.586 -4.170) 8.734 6.750 ( 7.951 14.591 -0.880) 16.640 7.062 ( 8.875 -0.294 -5.445) 10.417 7.120 ( -2.219 1.079 -2.801) 3.733 7.252 ( -0.829 1.759 -0.326) 1.972 7.384 ( 1.158 -7.937 -0.888) 8.071 7.614 ( 1.736 1.532 1.407) 2.709 7.790 ( -3.831 -15.444 5.415) 16.808 16.725 ( -3.217 -3.054 0.440) 4.457 16.819 ( -1.359 -0.342 -0.865) 1.647 17.054 ( 0.400 2.573 -0.274) 2.619 17.400 ( 2.224 3.696 -1.627) 4.610 22.603 ( -0.122 -0.246 -0.483) 0.556 22.721 ( -0.198 0.427 0.647) 0.800 26.481 ( -0.553 0.075 0.114) 0.570 26.532 ( 1.785 0.980 -0.430) 2.081 36.156 ( 4.154 -0.652 -4.201) 5.944 36.453 ( -8.901 7.809 8.298) 14.459 36.682 ( -0.658 -4.994 7.557) 9.082 37.856 ( 6.244 -0.416 -11.004) 12.659 ======================= Grid point 254 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -8.765 -2.764 7.318) 11.748 2.387 ( 2.909 8.517 13.579) 16.291 2.622 ( -9.927 -3.154 4.400) 11.307 2.690 ( -5.332 6.134 -2.102) 8.395 2.937 ( 8.140 2.506 7.102) 11.089 3.205 ( 5.088 8.027 -3.163) 10.016 3.735 ( -1.194 -1.917 4.309) 4.865 4.454 ( 2.677 3.418 3.549) 5.608 4.774 ( -2.076 0.152 -5.295) 5.690 5.143 ( -3.081 -2.527 -1.218) 4.167 5.300 ( -2.745 -0.570 11.175) 11.522 5.439 ( -1.145 0.291 -6.316) 6.426 5.640 ( 9.488 1.234 -1.050) 9.626 5.688 ( -0.197 3.028 -6.090) 6.804 6.028 ( -5.750 9.661 0.133) 11.243 6.351 ( -3.471 8.928 -1.007) 9.632 6.588 ( -1.913 0.394 -2.288) 3.008 6.671 ( 8.748 6.198 0.565) 10.736 7.060 ( 1.019 3.330 -3.226) 4.747 7.119 ( 7.686 2.215 -5.627) 9.780 7.176 ( 0.384 3.860 -0.207) 3.885 7.495 ( 3.169 1.518 0.565) 3.558 7.598 ( -2.994 -1.828 2.625) 4.381 8.145 ( -7.057 -25.015 0.947) 26.008 16.708 ( -3.784 0.509 0.202) 3.823 16.787 ( -1.592 0.962 -0.115) 1.864 17.038 ( 1.768 1.302 0.492) 2.251 17.359 ( 4.234 4.389 -3.092) 6.837 22.609 ( -0.186 -0.606 -0.365) 0.731 22.716 ( 0.092 0.050 0.731) 0.739 26.478 ( -0.917 -0.432 0.083) 1.017 26.534 ( 1.194 0.406 -0.505) 1.358 36.179 ( -2.191 2.709 1.745) 3.897 36.288 ( 0.806 1.076 1.476) 1.997 36.747 ( -1.577 -0.962 8.708) 8.902 37.866 ( 3.277 3.217 -12.754) 13.555 ======================= Grid point 260 (127/227) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -7.552 -0.000 8.369) 11.272 2.455 ( 8.879 0.000 -1.036) 8.939 2.528 ( -3.838 -0.000 -1.120) 3.998 2.664 ( 2.193 0.000 4.473) 4.982 3.295 ( 4.095 0.000 7.057) 8.159 3.346 ( 5.203 0.000 18.955) 19.656 3.793 ( -4.906 -0.000 4.355) 6.560 4.063 ( -1.961 -0.000 5.491) 5.830 4.777 ( 3.424 0.000 -0.626) 3.481 4.983 ( 0.704 0.000 -2.360) 2.463 4.988 ( 2.499 0.000 -6.990) 7.423 5.141 ( -6.619 -0.000 -6.705) 9.421 5.339 ( 1.860 0.000 -9.058) 9.247 5.556 ( -2.670 -0.000 4.218) 4.992 5.764 ( -0.936 -0.000 3.669) 3.787 6.420 ( -8.759 -0.000 -3.704) 9.510 6.734 ( 13.314 0.000 -4.319) 13.997 6.849 ( 4.459 0.000 3.698) 5.793 6.908 ( -0.254 -0.000 0.064) 0.262 7.067 ( -0.043 -0.000 2.606) 2.606 7.286 ( -6.703 -0.000 0.969) 6.773 7.603 ( 0.045 0.000 -3.940) 3.940 8.042 ( 10.056 0.000 -4.677) 11.090 8.342 ( -17.102 -0.000 -4.616) 17.714 16.408 ( -0.466 -0.000 1.771) 1.831 16.584 ( 0.129 0.000 -1.481) 1.487 17.358 ( 2.518 0.000 -2.020) 3.228 17.566 ( 0.820 0.000 0.394) 0.910 22.612 ( -0.104 -0.000 -1.062) 1.067 22.762 ( -1.162 -0.000 0.755) 1.386 26.534 ( 1.454 0.000 0.123) 1.459 26.565 ( 0.393 0.000 -0.342) 0.521 35.745 ( 1.471 0.000 3.191) 3.514 36.388 ( -1.662 -0.000 -3.254) 3.654 36.888 ( -3.864 -0.000 3.168) 4.997 37.904 ( 12.412 0.000 0.351) 12.417 ======================= Grid point 261 (128/227) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -9.554 -2.004 9.678) 13.747 2.482 ( -5.513 -2.702 1.511) 6.323 2.576 ( 3.530 -3.799 -1.873) 5.514 2.689 ( -0.121 -0.998 2.119) 2.345 3.287 ( 3.570 6.132 12.429) 14.312 3.457 ( 5.188 -0.999 13.630) 14.618 3.739 ( -4.889 1.733 1.592) 5.425 4.029 ( -4.061 -1.689 6.801) 8.100 4.885 ( 0.554 -6.886 -2.576) 7.373 4.943 ( 2.245 0.924 -2.448) 3.448 5.086 ( -10.190 -7.084 -4.684) 13.265 5.224 ( 2.545 -15.839 -5.430) 16.937 5.344 ( 3.970 -0.035 -8.084) 9.006 5.574 ( -3.548 -3.539 4.999) 7.078 5.776 ( -2.428 -4.370 1.243) 5.151 6.359 ( -8.522 -3.658 -5.384) 10.724 6.780 ( 4.446 2.911 -1.040) 5.415 6.855 ( 2.521 2.591 0.275) 3.625 6.945 ( -5.082 -3.204 1.805) 6.273 7.066 ( -1.477 -0.341 2.815) 3.197 7.243 ( -0.233 -0.879 -1.413) 1.680 7.585 ( -2.200 -0.368 -3.517) 4.165 7.998 ( -6.483 9.364 0.381) 11.395 8.150 ( 3.749 9.105 -7.359) 12.292 16.446 ( -0.491 -4.236 1.564) 4.543 16.615 ( -0.169 -3.676 -1.546) 3.992 17.331 ( -0.214 3.813 -1.951) 4.288 17.549 ( -1.191 1.653 0.324) 2.063 22.608 ( -0.246 0.096 -1.007) 1.041 22.750 ( -0.804 0.299 0.789) 1.166 26.530 ( -0.235 0.869 -0.078) 0.904 26.577 ( 2.859 0.837 -0.174) 2.984 35.836 ( 3.040 -6.406 2.546) 7.534 36.391 ( -1.143 -2.532 -2.328) 3.624 36.828 ( -6.900 1.390 3.840) 8.018 37.975 ( 11.068 5.387 -1.241) 12.372 ======================= Grid point 262 (129/227) ======================= q-point: (-0.30 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -11.525 -5.543 11.505) 17.203 2.479 ( -6.959 -3.392 3.545) 8.515 2.660 ( -1.701 -3.020 2.657) 4.367 2.715 ( 0.939 -2.117 -4.016) 4.635 3.208 ( 2.053 8.044 14.323) 16.555 3.506 ( -0.608 0.380 0.522) 0.887 3.632 ( -1.868 4.550 7.017) 8.569 4.130 ( 0.733 -8.966 7.929) 11.992 4.900 ( -5.675 0.749 -4.969) 7.580 4.985 ( -3.283 -5.332 -5.250) 8.172 5.143 ( -4.802 -7.081 4.942) 9.880 5.374 ( 4.830 -2.095 -7.710) 9.336 5.522 ( -0.892 -6.041 1.439) 6.274 5.628 ( -1.146 -8.348 -2.758) 8.866 5.959 ( -2.228 -20.135 -1.969) 20.354 6.322 ( -10.743 -3.777 -6.065) 12.902 6.752 ( -9.070 3.077 0.958) 9.625 6.808 ( 1.319 -2.069 1.647) 2.955 6.961 ( -2.353 -5.035 -0.225) 5.562 7.052 ( -2.634 0.912 1.562) 3.195 7.280 ( 3.776 0.208 -4.644) 5.989 7.552 ( -2.090 3.944 -4.712) 6.490 7.726 ( -5.945 6.821 6.944) 11.406 7.989 ( 10.467 17.168 -6.093) 21.010 16.540 ( -0.884 -6.071 1.134) 6.239 16.697 ( -0.006 -5.403 -1.655) 5.651 17.222 ( -2.386 5.885 -1.245) 6.471 17.493 ( -2.406 1.995 -0.287) 3.139 22.601 ( -0.339 0.069 -0.867) 0.934 22.738 ( -0.452 0.437 0.834) 1.045 26.508 ( -0.128 1.161 -0.172) 1.180 26.585 ( 2.925 1.590 -0.122) 3.332 36.015 ( 4.297 -7.761 -0.229) 8.874 36.445 ( -0.563 -4.523 1.433) 4.778 36.704 ( -9.785 3.545 5.125) 11.601 37.960 ( 9.586 6.742 -4.739) 12.642 ======================= Grid point 263 (130/227) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -13.750 -7.727 13.567) 20.805 2.468 ( -7.786 -3.424 3.442) 9.175 2.649 ( -2.816 1.958 5.291) 6.306 2.745 ( -1.470 -1.133 -5.815) 6.104 3.124 ( 3.784 6.269 13.616) 15.460 3.439 ( -0.886 3.702 -5.420) 6.623 3.616 ( -0.925 -1.461 8.942) 9.108 4.340 ( 4.407 -8.635 7.149) 12.046 4.793 ( -9.442 0.300 -6.400) 11.411 5.017 ( -4.539 -4.038 -2.982) 6.767 5.203 ( -3.515 -3.004 9.849) 10.880 5.424 ( -2.095 -1.542 -3.146) 4.083 5.587 ( 3.646 -3.710 -0.809) 5.264 5.736 ( 2.905 -2.160 -9.263) 9.945 6.165 ( -12.015 -2.015 -4.012) 12.827 6.389 ( -5.482 -17.946 -4.478) 19.291 6.598 ( -9.697 2.223 0.803) 9.981 6.864 ( -6.523 -4.397 0.232) 7.871 6.984 ( 0.546 2.344 2.311) 3.337 7.110 ( 0.555 -10.816 -2.357) 11.084 7.285 ( 1.251 0.223 -3.899) 4.101 7.358 ( -3.183 7.391 -0.326) 8.054 7.712 ( -1.137 5.059 6.000) 7.930 7.793 ( 16.601 10.574 -4.366) 20.161 16.628 ( -1.815 -4.695 0.795) 5.096 16.778 ( -0.410 -3.233 -1.472) 3.576 17.096 ( -2.877 3.853 -0.050) 4.809 17.442 ( -1.469 0.932 -1.641) 2.392 22.597 ( -0.297 -0.109 -0.654) 0.726 22.728 ( -0.218 0.447 0.822) 0.961 26.488 ( 0.001 0.951 -0.108) 0.957 26.580 ( 2.311 1.904 -0.264) 3.005 36.162 ( 4.608 -3.223 -3.417) 6.580 36.495 ( -7.668 4.783 7.102) 11.494 36.571 ( -3.535 -5.460 5.091) 8.260 37.943 ( 7.847 3.791 -8.460) 12.146 ======================= Grid point 264 (131/227) ======================= q-point: (-0.10 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -14.275 -7.840 14.861) 22.048 2.463 ( -6.423 -4.262 2.531) 8.113 2.565 ( -1.474 5.210 6.731) 8.638 2.692 ( -4.003 2.292 -4.404) 6.378 3.115 ( 7.257 4.492 9.994) 13.143 3.357 ( 1.590 5.056 -0.345) 5.311 3.666 ( -2.146 -4.080 3.341) 5.693 4.504 ( 3.880 -2.324 4.887) 6.658 4.707 ( -6.249 -2.132 -5.987) 8.913 5.041 ( -3.506 -4.182 -0.826) 5.519 5.241 ( -3.080 -3.245 11.333) 12.184 5.404 ( -3.213 -1.478 -3.521) 4.991 5.686 ( 0.694 -1.300 -0.829) 1.691 5.746 ( 5.073 1.541 -10.535) 11.793 6.033 ( -8.615 1.435 -2.038) 8.968 6.425 ( -6.167 3.387 1.827) 7.269 6.559 ( -2.011 -2.388 -4.750) 5.684 6.833 ( -4.341 -0.483 -0.192) 4.371 7.019 ( -1.689 -3.385 -0.400) 3.804 7.187 ( 1.302 0.570 -5.351) 5.537 7.228 ( -0.329 2.200 -1.191) 2.523 7.405 ( 0.468 -1.736 1.593) 2.403 7.657 ( -2.829 -11.150 0.495) 11.514 7.856 ( 14.029 5.895 1.851) 15.330 16.668 ( -1.885 -1.825 0.502) 2.671 16.785 ( -1.361 0.448 -0.541) 1.532 17.049 ( -1.201 -0.451 0.621) 1.425 17.422 ( 0.194 0.530 -3.054) 3.105 22.597 ( -0.196 -0.351 -0.464) 0.614 22.721 ( -0.060 0.264 0.771) 0.817 26.473 ( -0.146 0.578 0.010) 0.596 26.567 ( 1.454 1.672 -0.456) 2.262 36.210 ( -0.807 2.151 0.536) 2.360 36.320 ( -2.482 2.959 1.977) 4.339 36.682 ( -2.006 -5.545 7.878) 9.840 37.943 ( 5.408 2.835 -10.883) 12.478 ======================= Grid point 271 (132/227) ======================= q-point: (-0.40 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -12.625 -0.000 12.241) 17.585 2.342 ( -12.470 -0.000 1.383) 12.546 2.577 ( 2.220 0.000 -5.067) 5.532 2.662 ( -3.484 -0.000 1.149) 3.668 3.430 ( 5.122 0.000 9.442) 10.742 3.555 ( 8.253 0.000 20.145) 21.770 3.660 ( -9.509 -0.000 2.477) 9.826 3.969 ( -7.867 -0.000 6.131) 9.974 4.815 ( 0.244 0.000 -1.305) 1.327 4.898 ( -10.585 -0.000 -6.611) 12.480 4.979 ( -0.718 -0.000 0.822) 1.091 5.071 ( 4.616 0.000 -7.994) 9.231 5.378 ( 3.317 0.000 -7.684) 8.370 5.516 ( -2.593 -0.000 4.370) 5.082 5.695 ( -5.335 -0.000 1.645) 5.583 6.237 ( -6.939 -0.000 -7.416) 10.156 6.778 ( -9.683 -0.000 -1.354) 9.777 6.837 ( -7.186 -0.000 1.355) 7.312 6.924 ( 0.877 0.000 2.773) 2.908 7.016 ( -5.322 -0.000 1.323) 5.484 7.285 ( 9.970 0.000 -1.738) 10.121 7.525 ( -5.530 -0.000 -3.716) 6.663 7.947 ( -14.868 -0.000 2.718) 15.114 8.365 ( 17.227 0.000 -9.533) 19.688 16.404 ( -0.461 -0.000 1.616) 1.681 16.572 ( -0.696 -0.000 -1.352) 1.521 17.349 ( -2.415 -0.000 -2.163) 3.242 17.540 ( -3.470 -0.000 0.050) 3.470 22.603 ( -0.440 -0.000 -1.020) 1.111 22.747 ( -0.552 -0.000 0.946) 1.095 26.536 ( -0.043 -0.000 -0.266) 0.270 26.618 ( 3.390 0.000 -0.041) 3.391 35.821 ( 4.541 0.000 3.530) 5.751 36.344 ( -1.466 -0.000 -3.517) 3.810 36.773 ( -7.920 -0.000 3.050) 8.487 38.137 ( 10.033 0.000 -1.561) 10.153 ======================= Grid point 272 (133/227) ======================= q-point: (-0.30 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -14.022 -2.720 14.727) 20.516 2.262 ( -15.094 -6.624 3.099) 16.772 2.591 ( -2.946 -1.895 -3.240) 4.771 2.647 ( -2.964 -3.609 -4.136) 6.239 3.423 ( 3.330 8.975 14.380) 17.275 3.478 ( -9.533 1.240 0.513) 9.627 3.696 ( 0.861 1.786 11.889) 12.053 3.982 ( -1.226 -8.722 10.739) 13.889 4.778 ( -12.698 -1.080 -8.741) 15.453 4.857 ( -2.110 -4.563 -3.359) 6.046 5.020 ( 0.941 -5.333 3.473) 6.433 5.266 ( 2.700 -14.293 -3.873) 15.053 5.395 ( -0.594 -2.748 -3.099) 4.184 5.493 ( -3.499 -0.614 3.319) 4.862 5.721 ( -0.680 -6.734 -3.819) 7.771 6.164 ( -7.853 -1.225 -8.218) 11.433 6.644 ( -14.114 0.007 -2.428) 14.322 6.755 ( -8.338 -1.150 1.753) 8.598 6.909 ( -1.441 0.236 1.235) 1.913 6.983 ( -7.266 -2.184 1.746) 7.785 7.353 ( 5.631 3.283 -3.679) 7.485 7.515 ( -1.343 -2.902 -3.991) 5.114 7.762 ( -9.514 3.989 7.598) 12.813 8.422 ( 18.416 12.728 -9.244) 24.220 16.442 ( -0.423 -4.061 1.330) 4.294 16.600 ( -0.746 -4.094 -1.387) 4.387 17.277 ( -4.083 3.728 -1.679) 5.778 17.479 ( -5.471 1.212 -0.651) 5.641 22.596 ( -0.484 0.023 -0.873) 0.998 22.742 ( -0.309 0.248 1.074) 1.145 26.529 ( 0.451 0.904 -0.320) 1.060 26.642 ( 2.994 1.116 -0.064) 3.196 35.939 ( 5.728 -5.954 2.654) 8.678 36.356 ( -1.415 -3.476 -2.372) 4.439 36.667 ( -9.323 2.304 3.406) 10.189 38.172 ( 8.405 5.997 -4.375) 11.213 ======================= Grid point 273 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -14.884 -5.612 17.467) 23.625 2.246 ( -15.692 -7.977 4.181) 18.093 2.595 ( -4.524 -3.881 -1.235) 6.087 2.688 ( -1.728 -3.312 -7.295) 8.196 3.274 ( -4.546 4.688 7.797) 10.170 3.411 ( -3.972 0.681 4.653) 6.156 3.652 ( -0.871 3.521 10.355) 10.972 4.222 ( 4.786 -11.189 10.968) 16.383 4.651 ( -12.285 -1.279 -7.898) 14.661 4.893 ( -4.151 -3.940 -3.621) 6.773 5.139 ( -0.153 -4.478 6.539) 7.927 5.325 ( -9.111 -2.006 1.838) 9.509 5.547 ( 3.986 -4.352 -2.503) 6.410 5.629 ( 1.612 -14.683 -6.541) 16.154 5.889 ( -1.964 -14.500 -4.492) 15.306 6.070 ( -10.980 -1.305 -7.841) 13.555 6.510 ( -10.706 -0.712 0.285) 10.734 6.739 ( -6.790 -5.078 -0.443) 8.490 6.919 ( -7.050 -4.407 -0.838) 8.356 6.950 ( -2.559 -2.973 2.434) 4.616 7.308 ( -2.930 3.050 -2.979) 5.173 7.408 ( -6.473 4.655 -2.779) 8.444 7.772 ( 4.868 -0.420 9.108) 10.336 8.297 ( 20.697 19.414 -8.505) 29.624 16.527 ( -0.583 -5.185 1.010) 5.315 16.687 ( -0.393 -5.838 -1.632) 6.074 17.137 ( -5.402 5.354 -0.114) 7.607 17.405 ( -5.475 -0.334 -2.111) 5.878 22.591 ( -0.297 -0.057 -0.587) 0.660 22.735 ( -0.203 0.409 1.070) 1.163 26.513 ( 0.757 1.395 -0.264) 1.609 26.640 ( 2.145 2.004 -0.243) 2.946 36.126 ( 6.128 -6.282 -0.491) 8.790 36.425 ( -1.871 -6.178 1.849) 6.715 36.511 ( -9.775 4.439 4.204) 11.529 38.109 ( 6.314 7.220 -8.277) 12.669 ======================= Grid point 274 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -14.337 -7.754 19.976) 25.781 2.247 ( -12.827 -8.885 3.431) 15.976 2.603 ( -2.524 -0.442 0.841) 2.697 2.682 ( -1.982 0.265 -6.049) 6.371 3.233 ( 0.132 -0.510 4.627) 4.657 3.384 ( -3.393 -0.883 4.514) 5.716 3.607 ( -2.105 1.112 9.142) 9.447 4.472 ( 5.198 -7.873 8.168) 12.479 4.560 ( -8.626 -3.153 -7.743) 12.013 4.917 ( -4.544 -4.591 -1.492) 6.629 5.192 ( -1.433 -1.697 9.533) 9.788 5.286 ( -8.377 -4.525 -0.324) 9.526 5.644 ( -0.306 -2.686 -1.546) 3.114 5.780 ( 4.364 -1.746 -13.540) 14.333 5.941 ( -7.031 -1.302 -4.648) 8.528 6.181 ( -11.713 -18.842 -3.089) 22.400 6.461 ( -3.232 -2.524 2.502) 4.804 6.731 ( -4.501 -0.444 -2.843) 5.342 6.922 ( -6.141 -5.158 1.273) 8.120 7.086 ( -5.073 -10.748 0.540) 11.897 7.198 ( -4.482 -1.769 -1.115) 4.945 7.351 ( 1.899 -0.005 -3.497) 3.979 7.702 ( -1.597 11.185 8.287) 14.012 8.244 ( 25.186 12.318 -6.121) 28.698 16.606 ( -0.347 -3.825 0.767) 3.917 16.760 ( -0.732 -2.376 -1.241) 2.778 17.017 ( -4.654 0.913 0.966) 4.840 17.377 ( -4.067 -2.330 -3.430) 5.808 22.591 ( -0.019 -0.177 -0.309) 0.357 22.727 ( -0.188 0.396 0.924) 1.022 26.495 ( 0.695 1.451 -0.133) 1.615 26.617 ( 1.180 2.321 -0.481) 2.648 36.236 ( 1.120 0.379 -0.370) 1.239 36.345 ( -4.680 3.420 2.012) 6.135 36.545 ( -2.206 -8.145 6.411) 10.597 38.043 ( 4.512 4.359 -11.436) 13.044 ======================= Grid point 282 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -14.592 -0.000 17.722) 22.956 2.009 ( -20.080 -0.000 4.292) 20.533 2.522 ( -10.010 -0.000 -2.000) 10.208 2.535 ( -3.393 -0.000 -8.853) 9.481 3.331 ( -20.340 -0.000 1.420) 20.390 3.564 ( 0.506 0.000 10.460) 10.472 3.821 ( 10.466 0.000 18.258) 21.045 3.846 ( -5.130 -0.000 10.557) 11.737 4.614 ( -13.058 -0.000 -10.734) 16.904 4.787 ( -1.978 -0.000 -1.645) 2.572 4.971 ( -0.300 -0.000 3.482) 3.495 5.159 ( 4.310 0.000 -2.631) 5.049 5.322 ( -8.386 -0.000 2.052) 8.633 5.481 ( -1.649 -0.000 2.967) 3.394 5.663 ( 4.247 0.000 -8.407) 9.419 6.070 ( -6.323 -0.000 -10.599) 12.342 6.488 ( -13.385 -0.000 -5.451) 14.453 6.620 ( -13.476 -0.000 2.393) 13.687 6.842 ( -11.912 -0.000 0.030) 11.912 6.922 ( -1.336 -0.000 2.587) 2.912 7.393 ( -4.851 -0.000 -2.987) 5.697 7.491 ( -0.526 -0.000 -4.660) 4.689 7.735 ( 0.694 0.000 10.695) 10.717 8.734 ( 20.764 0.000 -10.443) 23.242 16.400 ( -0.454 -0.000 1.175) 1.260 16.548 ( -1.133 -0.000 -0.973) 1.494 17.256 ( -5.409 -0.000 -1.863) 5.721 17.420 ( -7.673 -0.000 -1.416) 7.802 22.590 ( -0.349 -0.000 -0.610) 0.703 22.743 ( -0.200 -0.000 1.278) 1.294 26.545 ( 1.074 0.000 -0.350) 1.130 26.681 ( 2.354 0.000 -0.135) 2.358 35.952 ( 6.549 0.000 3.728) 7.536 36.302 ( -1.395 -0.000 -3.518) 3.785 36.595 ( -9.512 -0.000 2.606) 9.862 38.299 ( 6.329 0.000 -7.575) 9.871 ======================= Grid point 283 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -14.267 -2.549 20.657) 25.235 1.891 ( -21.462 -9.548 5.865) 24.211 2.431 ( -10.732 -4.754 -2.402) 11.981 2.547 ( -4.420 -6.449 -9.702) 12.461 3.110 ( -22.888 -2.016 2.818) 23.149 3.515 ( -0.905 5.641 10.406) 11.871 3.740 ( -0.181 5.373 12.907) 13.982 4.102 ( 7.420 -10.586 13.348) 18.582 4.474 ( -12.968 -1.962 -10.623) 16.878 4.788 ( -3.172 -2.476 -2.415) 4.693 5.045 ( 0.140 -5.958 4.251) 7.320 5.215 ( -9.623 0.255 4.773) 10.745 5.314 ( -1.070 -12.854 -1.228) 12.957 5.508 ( 1.915 -3.408 0.308) 3.922 5.751 ( 5.041 -5.181 -9.238) 11.730 5.966 ( -8.128 1.427 -11.488) 14.145 6.373 ( -8.482 -1.813 -4.979) 10.001 6.531 ( -12.465 -5.700 1.404) 13.778 6.737 ( -13.204 -3.758 0.381) 13.733 6.909 ( -1.843 -0.281 1.466) 2.372 7.303 ( -9.151 4.097 -2.195) 10.264 7.389 ( -6.422 0.650 -2.129) 6.797 7.854 ( 10.961 -0.882 9.570) 14.578 8.808 ( 21.271 13.299 -9.917) 26.975 16.439 ( -0.182 -4.155 0.857) 4.247 16.577 ( -0.959 -4.520 -1.059) 4.740 17.160 ( -6.510 3.706 -0.639) 7.518 17.322 ( -8.586 0.075 -2.924) 9.071 22.588 ( 0.145 0.009 -0.130) 0.195 22.741 ( -0.224 0.273 1.320) 1.367 26.548 ( 1.450 1.077 -0.289) 1.829 26.689 ( 1.337 1.245 -0.339) 1.858 36.084 ( 6.991 -5.485 2.670) 9.278 36.314 ( -1.843 -3.553 -2.040) 4.492 36.481 ( -9.019 2.296 2.725) 9.698 38.267 ( 2.284 6.105 -12.422) 14.029 ======================= Grid point 284 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -12.462 -5.577 23.802) 27.440 1.892 ( -18.677 -12.887 6.198) 23.523 2.484 ( -4.955 -9.008 -2.584) 10.600 2.605 ( -2.957 -5.267 -8.768) 10.647 2.991 ( -19.737 -10.118 1.982) 22.268 3.423 ( -1.702 3.967 10.418) 11.277 3.675 ( -0.037 4.551 12.754) 13.541 4.357 ( -1.385 -7.260 -3.546) 8.198 4.413 ( -2.290 -6.473 3.101) 7.534 4.795 ( -3.901 -3.235 -1.831) 5.388 5.102 ( -8.283 -4.175 -0.091) 9.277 5.166 ( -2.152 -1.697 9.597) 9.981 5.567 ( -4.083 -14.235 -1.211) 14.859 5.604 ( -0.381 -7.049 -2.467) 7.478 5.825 ( -9.057 1.423 -9.702) 13.348 5.899 ( 5.291 -6.450 -10.467) 13.385 6.367 ( -3.285 -4.286 -0.650) 5.439 6.578 ( -7.657 -10.334 -0.683) 12.880 6.726 ( -9.185 -7.676 1.638) 12.082 6.911 ( -2.737 -2.397 -0.118) 3.640 7.103 ( -11.577 1.367 -1.852) 11.804 7.359 ( -0.739 -0.087 -2.242) 2.362 7.913 ( 5.179 7.773 10.272) 13.884 8.748 ( 23.747 15.245 -8.751) 29.545 16.529 ( 0.632 -4.983 0.723) 5.075 16.670 ( -0.671 -6.122 -1.509) 6.340 17.004 ( -7.131 4.152 0.964) 8.308 17.258 ( -7.325 -2.925 -4.058) 8.870 22.592 ( 0.674 0.096 0.270) 0.732 22.734 ( -0.328 0.432 1.144) 1.266 26.536 ( 1.418 1.820 -0.196) 2.315 26.666 ( 0.324 2.102 -0.591) 2.207 36.244 ( 3.649 -2.198 -0.245) 4.267 36.350 ( -5.197 2.608 1.766) 6.077 36.384 ( -2.588 -7.409 3.961) 8.791 38.132 ( -1.260 5.202 -15.916) 16.792 ======================= Grid point 293 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -12.877 -0.000 22.981) 26.343 1.549 ( -25.392 -0.000 7.752) 26.549 2.211 ( -20.313 -0.000 2.579) 20.476 2.401 ( -5.306 -0.000 -12.104) 13.216 2.837 ( -24.416 -0.000 4.551) 24.836 3.545 ( -5.057 -0.000 7.102) 8.719 3.854 ( 1.651 0.000 13.724) 13.823 4.102 ( 10.529 0.000 14.351) 17.800 4.286 ( -14.372 -0.000 -13.129) 19.466 4.741 ( -1.879 -0.000 0.492) 1.942 5.004 ( 1.578 0.000 3.228) 3.593 5.128 ( -8.932 -0.000 6.078) 10.804 5.197 ( -0.236 -0.000 -1.278) 1.299 5.487 ( 1.464 0.000 2.516) 2.911 5.742 ( 5.269 0.000 -8.759) 10.222 5.876 ( -8.620 -0.000 -13.503) 16.019 6.281 ( -3.226 -0.000 -7.977) 8.604 6.332 ( -13.766 -0.000 2.305) 13.958 6.540 ( -15.653 -0.000 -0.016) 15.653 6.882 ( -3.894 -0.000 1.906) 4.336 7.237 ( -14.528 -0.000 -1.626) 14.618 7.317 ( -1.867 -0.000 -2.338) 2.992 7.998 ( 13.190 0.000 10.154) 16.646 9.137 ( 20.439 0.000 -10.699) 23.070 16.392 ( -0.584 -0.000 0.454) 0.740 16.524 ( -0.868 -0.000 -0.315) 0.923 17.122 ( -6.994 -0.000 -0.652) 7.025 17.219 ( -10.142 -0.000 -4.211) 10.982 22.596 ( 1.328 0.000 0.688) 1.496 22.743 ( -0.348 -0.000 1.443) 1.484 26.576 ( 1.836 0.000 -0.195) 1.846 26.708 ( 0.256 0.000 -0.495) 0.558 36.108 ( 6.648 0.000 4.277) 7.905 36.259 ( -1.401 -0.000 -3.826) 4.075 36.417 ( -7.792 -0.000 2.229) 8.104 38.285 ( -5.806 -0.000 -20.173) 20.992 ======================= Grid point 294 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -18.623 -10.946 14.499) 26.017 1.442 ( -15.676 -6.052 19.762) 25.941 2.131 ( -18.368 -15.446 6.343) 24.823 2.413 ( -4.134 -8.273 -12.005) 15.154 2.647 ( -18.858 -3.592 3.245) 19.470 3.462 ( -6.269 2.941 5.941) 9.124 3.820 ( 2.867 7.250 15.087) 16.982 4.158 ( -12.318 -4.552 -13.493) 18.829 4.320 ( 7.606 -7.947 10.796) 15.413 4.729 ( -1.736 -0.575 0.937) 2.055 4.982 ( -7.189 -0.736 0.597) 7.251 5.138 ( 2.322 -1.916 9.520) 9.984 5.268 ( -2.558 -9.222 -1.817) 9.741 5.553 ( 1.877 -3.252 1.167) 3.932 5.742 ( -8.820 1.122 -9.379) 12.923 5.844 ( 6.961 -5.559 -11.390) 14.460 6.254 ( -5.964 -3.819 -2.680) 7.573 6.309 ( -5.112 -7.442 -1.850) 9.217 6.473 ( -9.844 -8.948 0.624) 13.318 6.839 ( -6.937 -1.669 1.933) 7.393 7.041 ( -10.064 5.102 -4.287) 12.070 7.324 ( -1.304 -1.831 -2.001) 3.009 8.116 ( 9.520 3.855 11.284) 15.259 9.206 ( 18.504 11.248 -9.914) 23.816 16.442 ( 0.423 -5.273 -0.005) 5.290 16.556 ( -0.764 -4.396 -0.544) 4.495 17.001 ( -8.596 3.887 0.085) 9.434 17.123 ( -8.456 -1.721 -4.296) 9.639 22.615 ( 2.601 0.591 1.273) 2.956 22.738 ( -0.515 0.294 1.335) 1.461 26.583 ( 1.793 1.320 -0.106) 2.229 26.693 ( -0.679 1.232 -0.633) 1.543 36.229 ( 3.789 -4.983 4.591) 7.763 36.267 ( -0.937 -2.214 -2.988) 3.835 36.337 ( -4.412 1.116 2.011) 4.976 38.093 ( -15.500 2.192 -24.743) 29.279 ======================= Grid point 304 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -25.947 -0.000 11.954) 28.569 1.291 ( -18.606 -0.000 21.847) 28.696 1.784 ( -16.984 -0.000 23.747) 29.195 2.263 ( -2.664 -0.000 -14.422) 14.666 2.469 ( -10.786 -0.000 0.416) 10.794 3.417 ( -8.620 -0.000 2.971) 9.118 3.927 ( -15.359 -0.000 -12.332) 19.697 3.995 ( 5.389 0.000 14.564) 15.529 4.340 ( 8.022 0.000 7.415) 10.924 4.723 ( -0.695 -0.000 4.666) 4.717 4.907 ( -5.679 -0.000 1.034) 5.772 5.172 ( -0.422 -0.000 -2.657) 2.690 5.237 ( 14.062 0.000 8.185) 16.270 5.535 ( 1.379 0.000 3.300) 3.576 5.646 ( -7.846 -0.000 -7.849) 11.098 5.830 ( 6.311 0.000 -10.495) 12.247 6.107 ( -7.473 -0.000 2.232) 7.799 6.248 ( -11.098 -0.000 0.256) 11.101 6.270 ( 4.002 0.000 -8.194) 9.119 6.728 ( -10.984 -0.000 3.153) 11.428 7.015 ( -3.986 -0.000 -7.377) 8.385 7.287 ( -0.367 -0.000 -2.082) 2.114 8.273 ( 8.769 0.000 12.677) 15.414 9.448 ( 10.379 0.000 -10.638) 14.863 16.380 ( -0.555 -0.000 -0.215) 0.596 16.513 ( -0.195 -0.000 0.311) 0.367 16.940 ( -9.637 -0.000 -1.829) 9.809 17.021 ( -6.653 -0.000 -2.103) 6.977 22.670 ( 5.546 0.000 1.442) 5.731 22.738 ( -0.478 -0.000 1.430) 1.508 26.614 ( 1.748 0.000 0.013) 1.748 26.694 ( -1.175 -0.000 -0.447) 1.257 36.184 ( -2.512 -0.000 1.653) 3.007 36.278 ( 5.819 0.000 -1.011) 5.906 36.310 ( -2.797 -0.000 2.804) 3.960 37.769 ( -37.695 -0.000 -28.241) 47.101 ======================= Grid point 305 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -10.233 -0.000 16.167) 19.133 1.459 ( -4.482 -0.000 18.145) 18.690 1.868 ( 4.614 0.000 -17.498) 18.096 2.107 ( 9.435 0.000 -4.775) 10.575 2.598 ( 2.294 0.000 22.294) 22.412 3.167 ( -11.061 -0.000 -4.955) 12.120 3.427 ( -8.100 -0.000 -5.029) 9.534 4.399 ( -0.901 -0.000 15.270) 15.296 4.478 ( 1.685 0.000 -0.607) 1.791 4.875 ( -5.303 -0.000 1.801) 5.600 4.882 ( -2.172 -0.000 6.396) 6.755 5.140 ( 4.470 0.000 -2.705) 5.224 5.256 ( 3.753 0.000 -6.281) 7.317 5.608 ( -0.455 -0.000 1.807) 1.863 5.611 ( 3.987 0.000 -16.394) 16.872 5.739 ( 6.225 0.000 0.997) 6.305 6.103 ( -1.769 -0.000 1.955) 2.637 6.130 ( 2.499 0.000 0.383) 2.528 6.174 ( -2.206 -0.000 -4.539) 5.047 6.696 ( 9.954 0.000 -1.628) 10.086 6.810 ( 0.014 0.000 -5.665) 5.665 7.242 ( 0.475 0.000 -1.745) 1.808 8.717 ( 2.997 0.000 12.269) 12.630 9.253 ( -5.384 -0.000 -8.676) 10.211 16.364 ( -0.062 -0.000 -0.264) 0.271 16.525 ( 0.251 0.000 0.322) 0.409 16.815 ( 0.684 0.000 -0.181) 0.707 16.927 ( -2.131 -0.000 0.610) 2.217 22.720 ( -1.385 -0.000 0.495) 1.471 22.805 ( 3.828 0.000 -1.146) 3.996 26.647 ( 0.952 0.000 0.150) 0.964 26.663 ( -1.245 -0.000 -0.192) 1.260 36.113 ( -3.042 -0.000 0.130) 3.045 36.402 ( 3.097 0.000 0.375) 3.119 36.437 ( 5.441 0.000 5.212) 7.535 36.689 ( -21.221 -0.000 -3.489) 21.506 ======================= Grid point 306 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.946 -29.197 10.920) 31.186 1.603 ( 6.161 -10.131 13.186) 17.733 1.997 ( 7.103 -8.089 -12.266) 16.320 2.302 ( 13.036 -8.605 -8.902) 17.978 2.689 ( 7.794 -0.468 23.736) 24.987 3.035 ( -10.080 0.648 -3.997) 10.863 3.450 ( -5.186 -9.988 0.646) 11.273 4.370 ( -1.192 3.261 15.254) 15.644 4.519 ( 1.595 -2.656 -0.820) 3.205 4.774 ( -3.994 2.333 -0.458) 4.648 4.938 ( -4.985 -6.163 4.406) 9.069 5.206 ( 5.498 -1.110 -3.311) 6.513 5.310 ( 5.298 -1.696 -2.915) 6.280 5.537 ( -0.059 4.872 0.325) 4.883 5.690 ( 6.605 -5.555 -17.166) 19.214 5.753 ( 2.140 1.799 -1.633) 3.238 6.153 ( 4.465 -5.921 -0.970) 7.479 6.208 ( 0.619 -7.681 -0.529) 7.724 6.344 ( -3.200 -15.034 2.161) 15.522 6.787 ( 2.163 2.375 -4.443) 5.482 6.850 ( 18.453 0.997 -4.841) 19.103 7.252 ( -0.275 -0.218 -1.116) 1.170 8.665 ( -1.166 8.737 10.551) 13.749 9.135 ( -8.378 2.405 -8.232) 11.989 16.417 ( -0.112 -5.431 -0.465) 5.452 16.560 ( 0.344 -3.381 0.047) 3.398 16.849 ( 5.557 -0.133 -0.649) 5.597 16.914 ( -0.746 -0.271 1.489) 1.688 22.694 ( -1.963 0.757 0.181) 2.111 22.816 ( 2.673 2.278 -1.183) 3.706 26.624 ( -1.903 2.070 -0.163) 2.817 26.641 ( 0.311 1.550 0.388) 1.628 36.125 ( -3.654 -4.062 1.522) 5.672 36.409 ( 1.807 2.053 -0.681) 2.818 36.506 ( -0.225 -5.603 4.035) 6.909 36.700 ( -0.684 -11.857 0.528) 11.889 ======================= Grid point 307 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.394 -23.962 6.872) 25.043 1.923 ( 8.861 -12.829 7.289) 17.211 2.197 ( 6.800 -6.977 -6.688) 11.818 2.563 ( 6.811 -7.870 -10.443) 14.744 2.841 ( 0.555 -4.020 12.127) 12.788 2.998 ( 5.962 -3.017 8.998) 11.208 3.625 ( -3.270 -11.969 5.608) 13.616 4.352 ( 0.381 0.517 14.697) 14.711 4.626 ( 3.729 -6.427 -3.437) 8.187 4.722 ( -2.490 -2.010 -2.695) 4.183 5.018 ( -5.350 -8.105 3.260) 10.245 5.256 ( 3.531 0.444 -5.852) 6.849 5.419 ( 7.842 -3.177 -2.287) 8.765 5.492 ( 1.866 0.477 -0.708) 2.052 5.720 ( 2.325 2.162 -3.233) 4.530 5.897 ( 8.169 -8.945 -12.290) 17.257 6.306 ( -1.124 -9.131 -1.689) 9.353 6.439 ( 7.874 -11.345 -0.467) 13.818 6.596 ( 2.442 -10.653 0.732) 10.954 6.799 ( 2.516 -4.235 1.393) 5.119 6.974 ( 12.052 2.959 -3.488) 12.891 7.207 ( -3.230 2.793 1.846) 4.652 8.442 ( -3.647 14.221 6.841) 16.197 8.966 ( -8.734 5.223 -9.768) 14.106 16.529 ( -1.173 -7.015 -0.050) 7.113 16.641 ( 0.068 -4.908 -0.485) 4.932 16.917 ( 4.831 -0.044 -0.014) 4.831 16.952 ( 4.954 -3.004 0.433) 5.810 22.659 ( -1.652 0.951 -0.347) 1.937 22.788 ( 1.384 2.636 -0.164) 2.981 26.559 ( -2.245 2.274 0.024) 3.196 26.608 ( 0.139 2.299 0.509) 2.359 36.150 ( -4.064 -2.553 2.748) 5.531 36.392 ( 4.059 2.806 -1.110) 5.058 36.667 ( 2.677 -8.238 6.043) 10.562 36.971 ( 2.043 -16.045 -4.365) 16.753 ======================= Grid point 308 (145/227) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 2.763 -11.544 3.840) 12.476 2.230 ( 4.826 -11.841 4.972) 13.719 2.368 ( 4.368 -7.402 -0.943) 8.646 2.653 ( -3.596 -3.313 -8.883) 10.140 2.901 ( -1.429 -3.497 5.700) 6.838 3.228 ( 15.384 -3.059 15.397) 21.979 3.772 ( -4.342 -6.677 6.899) 10.537 4.413 ( 1.672 -3.317 11.144) 11.747 4.670 ( -1.206 -0.578 -5.962) 6.111 4.920 ( 6.119 -12.362 -4.350) 14.464 5.134 ( -4.914 -10.121 2.921) 11.624 5.252 ( 3.818 1.249 -8.954) 9.814 5.515 ( 4.024 -1.404 -3.012) 5.219 5.594 ( 7.086 -4.166 1.579) 8.370 5.723 ( 4.016 -0.502 -1.746) 4.408 6.108 ( 6.089 -7.319 -7.030) 11.835 6.449 ( -3.104 -7.808 -0.932) 8.454 6.650 ( 11.053 -1.739 -3.555) 11.740 6.803 ( 4.770 -10.441 1.347) 11.557 6.943 ( -4.844 1.424 5.240) 7.277 7.050 ( 10.078 -9.566 0.373) 13.900 7.167 ( 1.267 -1.202 -0.634) 1.857 8.115 ( -7.655 16.129 3.717) 18.236 8.715 ( -9.347 10.504 -9.195) 16.800 16.619 ( -2.224 -4.633 0.528) 5.167 16.721 ( 0.074 -3.644 -0.423) 3.669 16.975 ( 3.774 -1.691 0.343) 4.150 17.099 ( 7.188 -5.279 -0.978) 8.972 22.628 ( -1.083 0.782 -0.579) 1.456 22.759 ( 0.726 1.785 0.340) 1.956 26.505 ( -1.728 1.361 -0.052) 2.201 26.569 ( 0.060 2.072 0.589) 2.155 36.150 ( -4.454 -2.061 3.340) 5.937 36.386 ( 6.976 4.188 -1.487) 8.271 36.835 ( 0.469 -6.401 9.347) 11.338 37.260 ( 2.402 -13.967 -8.973) 16.774 ======================= Grid point 309 (146/227) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.076 -3.672 3.122) 4.821 2.455 ( 1.438 -8.339 3.519) 9.165 2.536 ( 1.473 -5.167 1.619) 5.611 2.622 ( -4.645 0.087 -2.956) 5.507 2.968 ( 1.549 -3.881 5.034) 6.542 3.433 ( 10.673 -1.527 12.456) 16.474 3.805 ( -4.418 -1.668 6.610) 8.124 4.526 ( 1.295 -5.111 7.927) 9.520 4.640 ( -2.000 1.110 -7.231) 7.584 5.079 ( 3.802 0.189 -6.932) 7.909 5.190 ( -2.936 -3.481 -5.519) 7.156 5.382 ( 3.356 -7.291 -0.307) 8.032 5.566 ( 2.131 -0.833 -2.583) 3.451 5.725 ( 6.592 -2.483 2.200) 7.380 5.834 ( 4.130 -5.765 -1.325) 7.214 6.250 ( 3.425 -3.899 -0.481) 5.212 6.503 ( -4.820 -4.039 0.062) 6.289 6.769 ( 5.345 0.311 5.520) 7.690 6.940 ( 6.716 -3.679 -6.212) 9.860 6.983 ( 0.799 -4.815 -1.179) 5.021 7.176 ( 5.681 0.453 -1.649) 5.933 7.398 ( 5.115 -14.375 2.194) 15.415 7.744 ( -10.768 13.498 1.943) 17.376 8.368 ( -9.417 15.080 -5.630) 18.649 16.658 ( -1.514 -2.147 0.511) 2.676 16.765 ( 0.244 -1.189 -0.133) 1.221 17.045 ( 2.294 -1.879 0.429) 2.996 17.255 ( 4.601 -4.650 -1.770) 6.777 22.606 ( -0.554 0.521 -0.511) 0.916 22.741 ( 0.340 0.876 0.439) 1.037 26.474 ( -1.002 0.487 -0.042) 1.115 26.543 ( 0.191 0.951 0.287) 1.012 36.150 ( -4.982 -2.906 3.488) 6.741 36.379 ( 7.727 4.923 -1.565) 9.294 36.927 ( -2.145 -2.814 10.551) 11.128 37.481 ( 2.726 -9.599 -10.984) 14.839 ======================= Grid point 310 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -4.456 0.732 8.950) 10.024 2.517 ( -3.849 2.071 -0.588) 4.411 2.573 ( 1.254 1.356 -1.707) 2.515 2.599 ( -0.413 -2.542 4.049) 4.799 3.099 ( 2.287 -6.214 2.330) 7.020 3.531 ( 2.105 0.150 5.581) 5.967 3.806 ( -0.716 -0.760 11.631) 11.678 4.549 ( -5.324 3.462 -7.169) 9.577 4.638 ( 2.155 -3.696 5.000) 6.580 5.035 ( 1.181 4.536 -4.208) 6.299 5.229 ( 0.923 -2.440 -9.954) 10.290 5.462 ( 0.695 0.256 2.167) 2.290 5.581 ( 0.117 0.029 -1.930) 1.934 5.764 ( 1.701 3.714 3.424) 5.330 5.928 ( -1.404 -0.861 -1.432) 2.182 6.333 ( -3.715 -3.585 0.734) 5.215 6.528 ( 1.591 -1.718 0.856) 2.493 6.820 ( 1.946 -0.238 1.191) 2.294 7.006 ( -1.822 0.384 -1.786) 2.580 7.058 ( 5.045 -0.256 -6.944) 8.587 7.201 ( -0.812 0.479 0.221) 0.969 7.453 ( -5.188 2.882 2.069) 6.285 7.713 ( 6.185 -6.105 -0.874) 8.735 8.025 ( -3.143 9.123 0.624) 9.669 16.673 ( -0.093 -0.379 0.269) 0.474 16.775 ( 0.372 0.273 0.000) 0.462 17.072 ( -0.302 0.391 0.733) 0.884 17.334 ( 0.350 -1.254 -2.592) 2.900 22.595 ( -0.105 0.280 -0.271) 0.403 22.735 ( 0.027 0.196 0.468) 0.508 26.465 ( -0.267 -0.169 0.045) 0.319 26.543 ( 0.364 -0.635 -0.330) 0.803 36.164 ( -5.332 -4.013 3.265) 7.430 36.365 ( 6.397 4.520 -1.416) 7.959 36.927 ( -3.168 1.757 10.402) 11.015 37.626 ( 2.632 -5.657 -12.592) 14.054 ======================= Grid point 311 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -4.917 5.731 14.658) 16.489 2.367 ( -6.979 7.803 2.181) 10.694 2.567 ( 2.006 1.769 -3.953) 4.773 2.608 ( -1.153 1.625 0.076) 1.993 3.169 ( -2.883 0.050 -2.844) 4.050 3.531 ( -2.524 -1.035 4.341) 5.127 3.861 ( 2.054 -1.563 15.676) 15.887 4.381 ( -7.449 5.903 -8.681) 12.872 4.709 ( 3.027 0.402 4.958) 5.823 4.951 ( -2.241 3.559 0.056) 4.206 5.251 ( 2.205 -0.159 -10.863) 11.086 5.392 ( 0.426 8.890 1.883) 9.097 5.568 ( -1.566 -0.044 -2.325) 2.804 5.680 ( -3.997 3.401 4.008) 6.603 5.857 ( -0.917 5.174 -4.340) 6.815 6.228 ( -13.686 5.975 -0.411) 14.939 6.557 ( 5.605 3.602 -1.583) 6.848 6.700 ( -9.069 6.501 2.154) 11.364 6.957 ( -3.231 3.641 -0.462) 4.890 7.099 ( 0.734 1.960 -3.952) 4.472 7.157 ( -0.774 -2.369 -2.625) 3.620 7.426 ( -3.099 6.024 1.474) 6.933 7.679 ( 1.167 -4.015 4.311) 6.005 8.211 ( 15.994 -11.335 0.192) 19.604 16.668 ( 1.180 1.615 0.183) 2.009 16.766 ( 0.408 1.222 -0.218) 1.307 17.027 ( -3.007 2.583 0.988) 4.086 17.296 ( -3.910 2.608 -3.325) 5.758 22.594 ( 0.416 -0.015 0.071) 0.422 22.736 ( -0.262 -0.322 0.582) 0.714 26.476 ( 0.521 -0.992 -0.042) 1.121 26.568 ( 0.199 -1.818 -0.833) 2.010 36.193 ( -4.969 -4.549 2.733) 7.270 36.346 ( 3.943 3.289 -1.170) 5.267 36.838 ( -2.703 6.451 9.654) 11.921 37.693 ( 0.808 -2.252 -15.156) 15.344 ======================= Grid point 312 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -9.049 10.845 5.962) 15.331 2.131 ( -4.390 8.644 16.982) 19.555 2.483 ( -3.659 6.633 -5.278) 9.233 2.533 ( 2.166 6.443 -5.827) 8.953 3.018 ( -10.093 7.724 -0.773) 12.733 3.517 ( -5.708 -0.132 3.108) 6.501 3.961 ( 3.102 -3.552 17.005) 17.647 4.159 ( -8.006 8.025 -9.310) 14.669 4.681 ( 1.749 6.272 3.050) 7.190 4.874 ( -4.003 1.400 4.897) 6.478 5.187 ( -0.540 9.810 0.916) 9.867 5.259 ( 1.914 1.693 -10.070) 10.389 5.526 ( -3.006 1.600 -2.572) 4.268 5.623 ( -1.120 0.432 2.230) 2.532 5.725 ( -4.258 7.520 -3.079) 9.174 5.883 ( -8.802 13.342 -3.714) 16.409 6.471 ( -1.130 8.181 0.415) 8.269 6.591 ( -2.231 0.873 -2.446) 3.424 6.820 ( -5.823 5.791 1.567) 8.360 6.909 ( -10.517 7.275 0.336) 12.792 7.141 ( -1.951 9.891 0.907) 10.123 7.296 ( 2.559 1.372 -4.708) 5.531 7.949 ( 2.463 -17.108 10.281) 20.110 8.602 ( 19.192 -11.247 -4.385) 22.673 16.635 ( 1.947 4.044 0.146) 4.490 16.726 ( 0.130 3.900 -0.869) 3.998 16.943 ( -5.134 1.452 1.229) 5.475 17.165 ( -6.480 4.472 -3.458) 8.599 22.607 ( 1.257 -0.555 0.444) 1.444 22.742 ( -0.549 -0.717 0.840) 1.233 26.511 ( 1.243 -1.870 -0.174) 2.252 26.603 ( -0.396 -2.257 -1.016) 2.507 36.231 ( -3.213 -3.927 1.910) 5.421 36.324 ( 0.994 1.922 -0.739) 2.287 36.683 ( -1.070 9.802 8.251) 12.857 37.655 ( -4.588 1.691 -18.475) 19.111 ======================= Grid point 313 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -11.657 15.448 8.385) 21.091 1.973 ( -5.006 9.582 18.278) 21.236 2.238 ( -5.736 12.956 -9.126) 16.853 2.380 ( 2.325 12.278 -8.418) 15.067 2.733 ( -12.350 8.939 8.935) 17.671 3.419 ( -10.239 1.128 -1.397) 10.396 3.886 ( -9.674 9.525 -6.380) 15.000 4.120 ( 5.586 -5.201 14.083) 16.018 4.573 ( -0.169 5.741 1.405) 5.913 4.834 ( -2.894 0.116 6.822) 7.411 5.049 ( 2.033 6.042 1.077) 6.466 5.234 ( 1.631 1.861 -6.923) 7.352 5.408 ( -7.998 9.829 -0.064) 12.672 5.494 ( -4.306 1.157 0.455) 4.482 5.630 ( 2.144 0.388 1.386) 2.582 5.710 ( 3.105 5.119 -12.963) 14.279 6.294 ( -2.255 9.053 -0.400) 9.338 6.442 ( -4.504 11.382 -0.290) 12.244 6.644 ( -0.821 9.233 0.107) 9.270 6.784 ( -6.831 -3.279 -1.000) 7.643 6.893 ( -7.952 10.440 1.925) 13.264 7.291 ( -0.111 0.826 -2.364) 2.507 8.296 ( 5.241 -13.876 10.915) 18.416 8.975 ( 14.605 -10.763 -7.827) 19.759 16.555 ( 1.144 6.986 -0.876) 7.134 16.630 ( -0.230 5.459 -0.288) 5.472 16.882 ( -6.224 -0.728 0.828) 6.321 17.024 ( -5.395 2.769 -2.275) 6.476 22.645 ( 2.523 -1.419 0.518) 2.940 22.752 ( -0.764 -0.883 1.207) 1.680 26.565 ( 1.617 -2.272 -0.116) 2.791 26.635 ( -0.985 -2.159 -0.792) 2.502 36.264 ( 2.020 1.395 -1.502) 2.878 36.293 ( -4.417 -1.687 2.707) 5.448 36.520 ( 1.991 9.266 5.824) 11.124 37.449 ( -14.517 6.819 -19.800) 25.481 ======================= Grid point 314 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -10.790 19.727 11.954) 25.465 1.665 ( -14.362 13.483 14.706) 24.583 1.974 ( -1.058 9.126 -10.694) 14.098 2.148 ( 3.744 11.649 -6.083) 13.664 2.575 ( -4.504 1.274 17.281) 17.903 3.287 ( -11.629 -0.207 -4.615) 12.513 3.611 ( -9.062 7.937 -7.101) 13.983 4.300 ( 3.576 -5.703 13.765) 15.323 4.498 ( 0.561 3.130 1.383) 3.468 4.838 ( -2.608 -2.443 5.814) 6.825 4.981 ( 0.362 4.863 3.649) 6.091 5.166 ( -1.678 4.659 -1.239) 5.105 5.249 ( 1.475 1.390 -6.826) 7.120 5.520 ( 1.163 -4.792 1.551) 5.169 5.640 ( 4.027 3.179 -14.133) 15.035 5.669 ( 4.321 0.238 0.099) 4.328 6.129 ( -2.498 4.936 0.149) 5.534 6.215 ( -2.529 7.989 0.001) 8.379 6.412 ( 3.563 18.574 -1.571) 18.977 6.689 ( -9.352 0.137 2.652) 9.722 6.802 ( -2.137 -2.924 -4.294) 5.618 7.261 ( -0.160 1.603 -1.872) 2.470 8.573 ( 5.961 -7.734 11.711) 15.248 9.224 ( 4.349 -6.451 -9.500) 12.280 16.426 ( -0.412 6.106 -0.916) 6.188 16.552 ( 0.242 3.202 0.391) 3.235 16.834 ( -4.359 -0.277 0.034) 4.368 16.955 ( -3.154 0.270 -0.475) 3.201 22.705 ( 2.322 -1.543 -0.088) 2.790 22.765 ( 0.531 -0.896 1.096) 1.512 26.618 ( 1.446 -1.628 0.102) 2.180 26.658 ( -1.052 -1.658 -0.387) 2.001 36.186 ( -1.929 4.394 -0.680) 4.847 36.336 ( 1.809 -2.359 2.411) 3.827 36.434 ( 3.997 4.887 3.500) 7.219 37.057 ( -24.523 8.892 -13.727) 29.477 ======================= Grid point 316 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 9.987 0.000 16.319) 19.132 1.654 ( 14.052 0.000 12.675) 18.924 1.987 ( 11.447 0.000 -15.016) 18.882 2.389 ( 17.284 0.000 -9.757) 19.848 2.828 ( 8.378 0.000 19.285) 21.026 2.964 ( -2.553 -0.000 2.639) 3.672 3.301 ( -3.591 -0.000 3.724) 5.174 4.404 ( -3.242 -0.000 16.605) 16.919 4.505 ( 1.382 0.000 -2.081) 2.498 4.764 ( -4.360 -0.000 -3.611) 5.661 4.838 ( -2.550 -0.000 3.536) 4.359 5.267 ( 7.300 0.000 -2.851) 7.837 5.340 ( 4.909 0.000 -0.353) 4.921 5.584 ( -2.443 -0.000 2.022) 3.172 5.682 ( 8.321 0.000 -15.860) 17.910 5.738 ( -4.856 -0.000 -5.084) 7.031 6.083 ( -0.797 -0.000 -2.972) 3.077 6.177 ( 8.657 0.000 0.327) 8.663 6.277 ( 10.233 0.000 0.852) 10.268 6.827 ( 3.237 0.000 -5.513) 6.393 7.065 ( 17.858 0.000 -6.305) 18.938 7.254 ( 1.359 0.000 -1.935) 2.364 8.728 ( -5.471 -0.000 10.389) 11.742 9.032 ( -10.385 -0.000 -7.781) 12.977 16.371 ( 0.823 0.000 -0.053) 0.824 16.532 ( 0.339 0.000 -0.027) 0.340 16.912 ( 2.329 0.000 1.109) 2.580 16.927 ( 7.350 0.000 -0.006) 7.350 22.678 ( -2.286 -0.000 -0.050) 2.286 22.858 ( 1.422 0.000 -2.097) 2.533 26.619 ( -2.862 -0.000 -0.067) 2.863 26.658 ( -0.028 -0.000 0.405) 0.406 36.035 ( -4.643 -0.000 2.022) 5.064 36.391 ( -0.746 -0.000 1.566) 1.735 36.446 ( 1.320 0.000 -1.671) 2.129 36.732 ( 13.121 0.000 10.707) 16.935 ======================= Grid point 317 (153/227) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 10.518 -22.343 11.394) 27.196 1.890 ( 13.996 -6.366 9.644) 18.150 2.163 ( 11.650 -6.586 -11.373) 17.562 2.534 ( 6.644 -2.074 -11.640) 13.563 2.840 ( 2.490 2.118 4.308) 5.408 3.100 ( 16.447 -2.111 18.443) 24.801 3.398 ( -1.287 -10.692 7.796) 13.295 4.384 ( -2.569 1.076 16.997) 17.224 4.556 ( 2.602 -4.381 -3.413) 6.133 4.688 ( -2.517 1.777 -5.588) 6.382 4.874 ( -1.515 -4.626 1.870) 5.215 5.325 ( 6.264 1.572 -1.799) 6.704 5.421 ( 5.141 -3.479 -0.940) 6.278 5.519 ( -0.643 2.018 -2.835) 3.539 5.729 ( -1.443 -3.692 -5.856) 7.071 5.824 ( 8.300 -6.544 -9.069) 13.927 6.125 ( 0.200 -4.800 -3.164) 5.752 6.363 ( 11.897 -7.595 -0.349) 14.119 6.470 ( 10.842 -7.839 1.278) 13.441 6.840 ( 4.360 1.677 -4.435) 6.442 7.173 ( 11.343 2.873 -4.416) 12.507 7.230 ( -2.474 3.273 1.372) 4.326 8.597 ( -8.465 8.014 8.696) 14.543 8.908 ( -7.973 1.602 -11.658) 14.214 16.423 ( 0.748 -4.289 0.247) 4.361 16.567 ( 0.405 -3.302 -0.485) 3.362 16.939 ( 2.480 -0.457 2.474) 3.532 17.023 ( 10.460 0.219 -1.351) 10.549 22.651 ( -1.927 0.402 -0.492) 2.029 22.842 ( 0.326 2.047 -1.204) 2.397 26.570 ( -2.979 1.657 0.191) 3.414 26.642 ( -0.386 1.450 0.590) 1.612 36.044 ( -4.768 -4.822 1.930) 7.051 36.398 ( 0.481 -0.357 1.811) 1.908 36.579 ( 7.251 -9.491 -6.190) 13.453 36.898 ( 11.816 -0.943 12.999) 17.592 ======================= Grid point 318 (154/227) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 5.937 -18.089 7.994) 20.649 2.170 ( 10.341 -8.244 7.864) 15.386 2.348 ( 7.753 -3.210 -6.569) 10.657 2.565 ( -0.949 -2.655 -7.839) 8.331 2.893 ( 6.483 -0.020 4.387) 7.828 3.361 ( 16.093 -2.970 14.388) 21.791 3.598 ( -2.089 -9.882 9.471) 13.846 4.392 ( -2.191 -1.561 15.806) 16.033 4.634 ( 0.327 -0.693 -10.506) 10.534 4.755 ( 6.083 -11.541 -3.699) 13.560 4.971 ( 0.718 -6.255 2.111) 6.641 5.325 ( 4.495 3.243 -5.158) 7.571 5.519 ( 1.652 -1.703 -1.297) 2.704 5.576 ( 6.801 -5.632 -2.072) 9.070 5.776 ( 4.076 -1.136 -3.130) 5.263 6.024 ( 5.592 -8.453 -5.740) 11.648 6.246 ( -0.356 -8.234 -2.302) 8.558 6.648 ( 10.871 -9.729 -1.608) 14.677 6.738 ( 9.828 -7.949 -0.833) 12.668 6.863 ( 2.830 -0.306 2.179) 3.585 7.101 ( -2.191 4.571 2.893) 5.837 7.233 ( 7.647 1.302 -3.349) 8.449 8.298 ( -12.139 14.239 6.114) 19.685 8.743 ( -7.885 5.911 -12.979) 16.297 16.521 ( 0.369 -5.246 0.801) 5.320 16.647 ( 0.652 -4.721 -1.028) 4.876 16.988 ( 3.380 -0.967 1.983) 4.036 17.131 ( 9.694 -0.806 -1.307) 9.815 22.625 ( -1.276 0.447 -0.751) 1.546 22.802 ( 0.046 2.250 -0.218) 2.261 26.512 ( -2.126 1.573 0.244) 2.656 26.606 ( -0.583 2.046 0.728) 2.248 36.075 ( -3.852 -2.946 1.553) 5.092 36.437 ( 0.688 -2.939 2.122) 3.690 36.820 ( 11.194 -4.810 -5.259) 13.270 37.064 ( 4.571 -6.928 8.293) 11.733 ======================= Grid point 319 (155/227) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.500 -8.578 6.172) 10.579 2.407 ( 7.692 -5.295 4.739) 10.472 2.451 ( 2.451 -5.296 -0.821) 5.893 2.621 ( 5.079 -1.355 -2.772) 5.943 2.948 ( 2.382 -0.242 5.177) 5.704 3.541 ( 8.388 0.100 8.908) 12.236 3.719 ( -2.772 -5.039 10.592) 12.052 4.444 ( -3.226 -4.565 11.078) 12.409 4.635 ( 1.660 0.169 -11.615) 11.734 5.017 ( 3.582 -8.901 -6.050) 11.343 5.135 ( 5.439 -6.004 4.085) 9.073 5.322 ( 4.483 -1.031 -8.519) 9.682 5.572 ( 2.660 -1.031 -0.344) 2.873 5.711 ( 3.651 -3.911 -1.257) 5.496 5.886 ( 11.285 -2.031 -0.263) 11.469 6.203 ( 3.128 -5.748 -2.310) 6.940 6.357 ( -2.653 -5.944 -0.821) 6.561 6.845 ( -1.151 1.579 7.729) 7.972 6.895 ( 7.133 -6.672 -2.392) 10.055 6.938 ( 9.408 -4.703 -4.508) 11.443 7.163 ( 0.514 -7.764 1.376) 7.901 7.302 ( 9.455 -1.675 -2.748) 9.988 7.884 ( -14.116 16.171 2.952) 21.668 8.477 ( -10.262 10.625 -9.191) 17.397 16.607 ( 0.820 -3.444 0.889) 3.650 16.732 ( 1.022 -3.583 -0.935) 3.842 17.041 ( 2.476 -1.005 0.836) 2.800 17.244 ( 6.527 -2.126 -0.971) 6.933 22.606 ( -0.654 0.320 -0.704) 1.013 22.767 ( 0.004 1.596 0.200) 1.608 26.474 ( -1.094 0.765 0.172) 1.346 26.566 ( -0.602 1.671 0.566) 1.864 36.076 ( -3.276 -1.261 1.588) 3.853 36.509 ( 4.172 -1.178 1.035) 4.457 36.924 ( 5.889 2.306 6.803) 9.289 37.281 ( 1.156 -12.354 -5.222) 13.461 ======================= Grid point 320 (156/227) ======================= q-point: ( 0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.016 -2.724 8.363) 8.854 2.518 ( 1.804 -0.420 -1.379) 2.309 2.558 ( 1.916 -2.906 3.745) 5.113 2.680 ( 7.860 3.053 1.117) 8.506 3.010 ( 0.264 -4.937 5.075) 7.085 3.561 ( -1.426 2.123 2.113) 3.317 3.795 ( 0.333 -2.857 14.561) 14.843 4.497 ( -5.915 -3.187 1.065) 6.803 4.623 ( 3.126 0.408 -6.240) 6.991 5.150 ( 3.453 -2.918 -9.036) 10.104 5.182 ( 5.622 3.932 1.823) 7.099 5.425 ( 0.203 -4.817 -3.713) 6.085 5.587 ( 0.871 1.147 -0.816) 1.655 5.828 ( 1.114 -3.593 2.949) 4.779 5.999 ( 12.682 4.454 -1.476) 13.522 6.244 ( -4.227 -0.098 0.783) 4.300 6.458 ( 1.159 -7.748 1.443) 7.966 6.884 ( 5.400 0.084 1.520) 5.610 6.993 ( 0.730 -0.933 -3.953) 4.127 7.092 ( 6.585 -1.433 -4.179) 7.930 7.215 ( -0.602 0.576 0.052) 0.835 7.453 ( -10.210 4.297 0.406) 11.085 7.593 ( 5.992 -8.696 1.579) 10.677 8.148 ( -9.783 11.268 -3.844) 15.410 16.667 ( 2.023 -1.546 0.579) 2.611 16.785 ( 1.569 -0.947 -0.632) 1.939 17.069 ( -0.024 -0.260 0.420) 0.495 17.319 ( 1.939 -0.862 -1.290) 2.483 22.597 ( -0.169 0.149 -0.453) 0.506 22.745 ( -0.095 0.885 0.307) 0.942 26.460 ( -0.284 0.054 0.205) 0.354 26.540 ( -0.460 0.459 0.044) 0.651 36.068 ( -3.398 -1.544 1.747) 4.121 36.548 ( 8.014 4.395 -0.457) 9.151 36.924 ( -1.709 1.229 11.425) 11.617 37.481 ( 0.748 -9.920 -10.694) 14.606 ======================= Grid point 321 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 0.072 2.731 14.095) 14.357 2.460 ( -0.974 6.242 -1.278) 6.446 2.599 ( 0.640 0.727 1.706) 1.962 2.689 ( 6.793 3.924 0.655) 7.872 3.102 ( -2.892 -3.560 0.865) 4.667 3.487 ( -5.821 0.664 1.813) 6.133 3.878 ( 1.640 -2.255 15.723) 15.968 4.402 ( -5.282 4.669 -9.204) 11.594 4.692 ( 1.471 -3.918 2.583) 4.918 5.098 ( 6.321 9.267 -1.708) 11.347 5.236 ( 2.677 -1.872 -8.580) 9.181 5.460 ( -2.510 -0.826 1.032) 2.837 5.561 ( -0.371 1.226 -1.469) 1.949 5.782 ( -2.252 8.125 5.552) 10.095 6.006 ( 10.481 7.248 -5.732) 13.973 6.151 ( -10.394 2.205 1.332) 10.709 6.581 ( -2.485 -2.113 0.911) 3.387 6.818 ( -0.695 10.195 -0.940) 10.262 7.010 ( 2.925 1.734 -3.110) 4.608 7.089 ( 0.314 -2.237 -5.050) 5.532 7.179 ( 0.603 4.199 -0.721) 4.303 7.336 ( -7.355 -3.648 5.981) 10.158 7.764 ( -1.014 5.610 -2.425) 6.195 8.092 ( 7.845 -14.793 1.575) 16.819 16.708 ( 3.209 0.165 0.267) 3.225 16.801 ( 2.007 0.983 -0.401) 2.271 17.042 ( -2.628 1.946 0.494) 3.307 17.299 ( -2.591 2.351 -2.045) 4.053 22.596 ( 0.267 -0.111 -0.107) 0.308 22.733 ( -0.273 0.303 0.347) 0.536 26.466 ( 0.357 -0.601 0.228) 0.735 26.540 ( -0.445 -0.940 -0.537) 1.170 36.073 ( -3.501 -2.880 1.786) 4.873 36.514 ( 7.109 7.708 -0.666) 10.507 36.893 ( -3.648 1.490 11.850) 12.488 37.605 ( 0.027 -5.508 -13.769) 14.830 ======================= Grid point 322 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -2.900 9.998 5.561) 11.803 2.318 ( 3.027 9.762 12.845) 16.415 2.546 ( -2.101 4.546 -0.472) 5.030 2.678 ( 6.219 5.317 -3.415) 8.866 3.027 ( -8.733 4.068 -0.989) 9.685 3.441 ( -7.766 -1.460 2.226) 8.209 3.964 ( 1.045 -2.280 17.009) 17.193 4.230 ( -2.159 7.371 -9.590) 12.287 4.759 ( -0.427 -1.509 4.074) 4.366 4.963 ( 3.799 11.228 0.097) 11.853 5.262 ( 2.107 -0.285 -9.854) 10.081 5.383 ( -1.444 7.690 1.076) 7.898 5.523 ( -2.290 2.882 -1.859) 4.124 5.628 ( -1.430 3.071 4.142) 5.351 5.887 ( -4.387 12.591 -0.626) 13.348 5.980 ( 0.180 6.504 -6.300) 9.057 6.528 ( -5.442 1.263 -1.323) 5.741 6.631 ( -0.238 6.322 -1.214) 6.442 6.873 ( -3.784 8.852 0.736) 9.655 7.030 ( -2.902 10.323 -0.719) 10.748 7.217 ( 3.750 -0.675 -3.369) 5.087 7.328 ( -7.210 -0.644 4.044) 8.292 7.747 ( 4.368 -7.613 4.410) 9.823 8.510 ( 11.452 -16.748 -2.310) 20.420 16.726 ( 4.059 2.332 0.042) 4.681 16.791 ( 1.876 2.463 -0.385) 3.120 16.951 ( -4.235 3.847 0.526) 5.746 17.182 ( -5.489 5.027 -2.450) 7.836 22.608 ( 0.797 -0.624 0.251) 1.043 22.729 ( -0.470 -0.189 0.440) 0.671 26.491 ( 0.876 -1.472 0.116) 1.717 26.558 ( -0.804 -1.784 -0.809) 2.117 36.108 ( -2.783 -4.389 1.694) 5.466 36.432 ( 2.693 6.690 0.064) 7.212 36.827 ( -1.211 5.225 10.585) 11.867 37.617 ( -2.326 0.548 -16.728) 16.898 ======================= Grid point 323 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -2.054 15.600 2.913) 16.002 2.185 ( 1.828 12.350 16.408) 20.618 2.388 ( -3.396 9.443 -4.047) 10.820 2.594 ( 4.691 9.060 -6.668) 12.188 2.827 ( -6.827 8.862 7.440) 13.435 3.335 ( -11.625 1.809 -1.953) 11.926 3.947 ( -7.048 6.091 6.092) 11.131 4.155 ( 6.859 0.513 5.064) 8.541 4.714 ( 0.052 7.747 2.278) 8.075 4.824 ( -1.256 3.687 2.352) 4.550 5.221 ( 1.761 7.494 -2.904) 8.228 5.269 ( 3.700 1.701 -4.633) 6.168 5.446 ( -3.536 1.677 -4.054) 5.635 5.537 ( -9.178 11.581 6.221) 16.033 5.644 ( 0.827 0.209 -0.277) 0.897 5.876 ( 7.601 8.644 -12.467) 16.968 6.434 ( -0.234 6.230 -0.864) 6.294 6.552 ( -3.656 4.426 -0.811) 5.798 6.694 ( -3.210 4.203 1.369) 5.463 6.794 ( -1.064 10.050 -1.959) 10.295 7.102 ( -2.144 12.903 2.363) 13.292 7.280 ( -3.440 -0.682 0.831) 3.604 8.066 ( 5.113 -17.154 6.954) 19.203 8.879 ( 8.179 -12.965 -6.068) 16.486 16.696 ( 3.143 6.013 -0.959) 6.852 16.733 ( 0.595 5.498 -0.298) 5.538 16.850 ( -3.222 2.029 0.529) 3.844 17.029 ( -4.905 4.376 -1.484) 6.738 22.639 ( 1.304 -1.527 0.397) 2.047 22.732 ( -0.451 -0.638 0.637) 1.008 26.536 ( 1.082 -2.289 0.032) 2.532 26.581 ( -1.312 -2.116 -0.654) 2.574 36.180 ( -0.836 -5.278 1.652) 5.594 36.339 ( -1.220 4.505 0.849) 4.744 36.720 ( 1.735 8.604 8.669) 12.336 37.458 ( -6.971 8.798 -18.361) 21.521 ======================= Grid point 324 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.500 18.427 6.752) 19.935 1.907 ( -5.591 19.915 10.141) 23.037 2.150 ( 0.093 11.665 -6.663) 13.434 2.443 ( 6.423 13.125 -9.388) 17.368 2.653 ( 1.272 6.737 20.413) 21.533 3.167 ( -12.008 1.492 -4.531) 12.921 3.710 ( -6.119 11.415 0.399) 12.958 4.268 ( 3.342 -3.571 13.467) 14.327 4.580 ( 1.013 6.139 0.089) 6.223 4.784 ( -2.883 -0.323 1.966) 3.504 5.112 ( -1.160 7.741 2.504) 8.218 5.244 ( -2.305 6.232 -3.582) 7.549 5.287 ( 4.429 1.279 -3.589) 5.842 5.462 ( 0.294 -2.016 0.779) 2.181 5.682 ( 2.526 -1.883 -1.520) 3.498 5.780 ( 7.511 8.132 -15.024) 18.662 6.271 ( 1.530 10.463 -0.403) 10.582 6.378 ( -1.028 10.508 0.403) 10.566 6.630 ( -4.052 1.794 0.815) 4.506 6.744 ( 5.743 0.645 -4.737) 7.472 6.798 ( -0.313 14.894 2.975) 15.192 7.264 ( -2.118 -0.531 -0.051) 2.184 8.420 ( 2.663 -15.062 8.808) 17.650 9.104 ( 0.289 -7.931 -8.554) 11.669 16.557 ( -0.807 8.639 -1.555) 8.815 16.639 ( 0.606 5.577 0.169) 5.612 16.819 ( 1.213 0.566 -0.031) 1.339 16.941 ( -2.100 1.508 0.327) 2.606 22.683 ( 0.059 -1.872 0.079) 1.874 22.753 ( 1.232 -1.610 0.546) 2.100 26.590 ( 0.409 -2.524 0.010) 2.556 26.606 ( -1.158 -2.306 -0.112) 2.583 36.225 ( -3.730 2.327 2.352) 4.985 36.306 ( 3.138 -3.698 0.408) 4.867 36.600 ( 2.836 8.366 6.797) 11.146 37.094 ( -11.017 16.797 -14.289) 24.651 ======================= Grid point 327 (161/227) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 19.061 0.000 12.659) 22.882 2.009 ( 15.005 0.000 8.919) 17.455 2.202 ( 12.473 0.000 -11.041) 16.658 2.521 ( -2.098 -0.000 -10.531) 10.738 2.966 ( 11.594 0.000 2.909) 11.953 3.301 ( 0.828 0.000 11.573) 11.603 3.301 ( 18.486 0.000 17.069) 25.161 4.388 ( -4.288 -0.000 18.185) 18.684 4.528 ( 1.873 0.000 -2.900) 3.452 4.694 ( 0.351 0.000 -9.072) 9.079 4.816 ( -0.299 -0.000 0.289) 0.416 5.384 ( 3.570 0.000 -3.084) 4.718 5.449 ( 4.216 0.000 2.909) 5.122 5.538 ( -1.424 -0.000 1.478) 2.053 5.573 ( -5.509 -0.000 -9.961) 11.383 5.860 ( 11.046 0.000 -6.909) 13.028 6.154 ( 9.421 0.000 -6.219) 11.289 6.428 ( 13.961 0.000 -0.016) 13.961 6.537 ( 13.765 0.000 0.928) 13.796 6.897 ( 5.270 0.000 -5.885) 7.900 7.218 ( -2.942 -0.000 2.664) 3.969 7.288 ( 2.744 0.000 -2.303) 3.582 8.576 ( -12.335 -0.000 8.943) 15.236 8.844 ( -3.173 -0.000 -15.615) 15.935 16.396 ( 1.351 0.000 0.364) 1.399 16.538 ( 0.305 0.000 -0.508) 0.592 16.976 ( 4.391 0.000 2.393) 5.001 17.140 ( 11.161 0.000 -0.953) 11.201 22.634 ( -1.642 -0.000 -0.720) 1.793 22.856 ( -0.780 -0.000 -1.286) 1.504 26.552 ( -3.130 -0.000 0.336) 3.147 26.650 ( -0.865 -0.000 0.677) 1.099 35.940 ( -5.049 -0.000 3.106) 5.928 36.447 ( -0.392 -0.000 -2.957) 2.983 36.530 ( 11.618 0.000 -1.778) 11.753 37.075 ( 14.430 0.000 14.225) 20.263 ======================= Grid point 328 (162/227) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 15.390 -12.288 9.597) 21.908 2.196 ( 11.467 -3.096 7.943) 14.289 2.356 ( 8.961 -3.696 -7.552) 12.289 2.494 ( -0.837 -2.634 -6.703) 7.251 3.041 ( 10.130 4.170 3.488) 11.497 3.436 ( 1.154 -8.625 13.363) 15.947 3.520 ( 15.949 -0.603 11.832) 19.867 4.366 ( -5.314 0.038 17.216) 18.017 4.612 ( 4.585 -6.156 -5.687) 9.553 4.659 ( 2.109 0.810 -7.026) 7.380 4.890 ( 2.785 -5.912 -2.301) 6.928 5.409 ( -0.919 2.117 -5.188) 5.678 5.459 ( 1.842 -5.679 -1.506) 6.158 5.564 ( 3.918 -1.224 -1.590) 4.401 5.644 ( -2.521 -9.562 -0.350) 9.895 5.974 ( 8.392 -1.489 -3.249) 9.121 6.265 ( 13.569 0.106 -6.084) 14.871 6.624 ( 11.893 -5.311 -0.298) 13.029 6.731 ( 12.692 -4.900 1.224) 13.660 6.937 ( 6.848 1.006 -5.942) 9.122 7.121 ( -9.212 3.329 6.530) 11.772 7.314 ( 5.044 0.474 -2.845) 5.810 8.374 ( -14.792 7.986 7.133) 18.261 8.750 ( -3.642 4.466 -16.589) 17.561 16.447 ( 1.241 -3.751 0.789) 4.030 16.573 ( 0.426 -3.458 -1.051) 3.639 17.031 ( 5.332 0.270 2.109) 5.740 17.243 ( 10.276 0.996 -0.724) 10.350 22.616 ( -1.071 0.181 -0.864) 1.388 22.830 ( -0.986 1.354 -0.649) 1.797 26.514 ( -2.177 1.003 0.418) 2.434 26.628 ( -1.184 1.270 0.777) 1.903 35.949 ( -4.723 -5.235 2.446) 7.463 36.419 ( 0.317 0.453 0.147) 0.572 36.752 ( 10.557 -9.424 -7.040) 15.806 37.203 ( 12.105 4.473 14.448) 19.372 ======================= Grid point 329 (163/227) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 7.625 -8.823 6.984) 13.592 2.365 ( 4.338 -5.338 4.252) 8.087 2.456 ( 7.610 -1.585 -0.009) 7.773 2.612 ( 5.709 -5.748 -2.407) 8.452 3.051 ( 6.232 4.990 3.901) 8.886 3.594 ( -0.686 -4.764 9.642) 10.777 3.669 ( 7.484 -0.292 10.860) 13.192 4.349 ( -5.863 -2.175 11.751) 13.311 4.650 ( 4.190 0.292 -8.982) 9.916 4.863 ( 5.054 -11.794 -4.674) 13.656 5.064 ( 7.002 -8.492 -3.066) 11.425 5.378 ( 1.616 0.946 -5.973) 6.260 5.580 ( 3.954 -2.993 3.954) 6.343 5.639 ( -0.563 -5.350 -3.830) 6.604 5.832 ( 1.583 -12.070 -1.113) 12.224 6.102 ( 6.846 -5.119 -0.342) 8.555 6.378 ( 11.624 1.980 -2.935) 12.151 6.796 ( 2.106 -2.814 0.735) 3.591 6.905 ( 3.425 -1.894 4.223) 5.758 7.003 ( 11.728 -0.578 -5.838) 13.113 7.061 ( -0.438 -5.028 2.561) 5.660 7.358 ( 4.775 0.190 -2.731) 5.504 8.027 ( -13.637 14.016 3.303) 19.833 8.533 ( -8.847 9.373 -12.098) 17.677 16.544 ( 1.285 -4.999 1.133) 5.284 16.657 ( 0.644 -5.060 -1.609) 5.348 17.076 ( 4.277 0.915 1.288) 4.559 17.316 ( 7.968 1.285 -0.345) 8.078 22.603 ( -0.512 0.180 -0.809) 0.974 22.793 ( -0.725 1.536 -0.123) 1.703 26.480 ( -0.874 0.947 0.349) 1.335 26.588 ( -1.294 1.725 0.679) 2.261 36.002 ( -3.328 -4.278 0.616) 5.454 36.458 ( 0.449 -4.136 3.466) 5.415 37.022 ( 8.567 -10.606 -11.532) 17.857 37.210 ( 6.581 8.305 14.251) 17.759 ======================= Grid point 330 (164/227) ======================= q-point: ( 0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 3.144 -4.240 7.292) 9.002 2.501 ( 2.681 -3.780 1.017) 4.744 2.570 ( 6.211 -1.495 3.424) 7.248 2.774 ( 7.555 -4.400 1.866) 8.940 3.010 ( 2.191 4.602 3.896) 6.415 3.589 ( -3.142 3.308 1.101) 4.693 3.767 ( 0.911 -3.345 16.148) 16.516 4.364 ( -5.605 -4.204 5.270) 8.767 4.668 ( 4.353 1.241 -9.038) 10.108 5.061 ( 2.676 -7.170 -6.492) 10.036 5.280 ( 2.518 -7.636 -2.729) 8.491 5.380 ( 6.603 2.966 -3.435) 8.012 5.636 ( 2.516 1.826 0.674) 3.181 5.730 ( -1.761 -6.717 2.893) 7.523 6.105 ( 8.037 -12.137 -2.334) 14.743 6.240 ( 3.890 -0.869 -0.113) 3.988 6.424 ( 8.798 3.871 0.215) 9.615 6.856 ( 1.628 -5.884 1.374) 6.258 6.967 ( -0.809 -2.609 0.366) 2.756 7.139 ( 5.570 -1.009 -1.346) 5.818 7.182 ( 4.394 -4.352 -1.112) 6.283 7.371 ( -4.575 0.022 -2.443) 5.186 7.675 ( -2.502 11.024 0.650) 11.323 8.216 ( -12.221 10.595 -6.043) 17.266 16.645 ( 2.087 -3.937 0.950) 4.556 16.749 ( 0.831 -4.280 -1.536) 4.622 17.086 ( 1.651 1.598 0.240) 2.310 17.357 ( 4.365 1.646 -0.041) 4.665 22.596 ( -0.122 0.085 -0.595) 0.613 22.762 ( -0.478 1.187 0.126) 1.286 26.464 ( 0.088 0.459 0.292) 0.551 26.548 ( -1.155 1.237 0.300) 1.719 36.025 ( -1.804 -1.354 -0.435) 2.298 36.576 ( 1.825 -6.119 4.941) 8.074 37.091 ( 4.557 12.161 10.144) 16.479 37.271 ( 2.132 -11.679 -10.534) 15.872 ======================= Grid point 331 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 3.974 -1.880 11.254) 12.082 2.536 ( 1.580 1.667 -0.558) 2.364 2.632 ( 2.703 0.618 2.693) 3.865 2.869 ( 8.547 5.986 2.805) 10.806 3.003 ( -2.047 -4.307 2.990) 5.629 3.454 ( -8.085 4.140 -0.417) 9.092 3.861 ( 0.072 -3.453 16.116) 16.482 4.375 ( -3.653 -1.322 -2.446) 4.591 4.678 ( 3.489 0.184 -4.693) 5.851 5.162 ( 0.812 -3.424 -9.667) 10.287 5.366 ( -2.272 -3.184 -4.408) 5.893 5.388 ( 9.512 5.485 2.969) 11.375 5.598 ( 0.242 2.734 -2.530) 3.733 5.802 ( -4.426 -2.313 8.194) 9.596 6.188 ( 0.459 7.823 0.243) 7.840 6.307 ( 15.793 6.941 -3.601) 17.623 6.485 ( 0.545 -4.453 0.699) 4.540 6.927 ( -5.671 -6.384 -5.352) 10.077 6.980 ( 0.402 6.945 -1.098) 7.043 7.128 ( 0.632 3.392 -0.729) 3.526 7.214 ( -3.113 -0.343 -0.520) 3.175 7.288 ( 0.305 1.598 1.140) 1.987 7.735 ( 3.936 -8.711 -0.251) 9.562 7.955 ( -6.756 1.065 -0.091) 6.840 16.730 ( 3.231 -2.184 0.527) 3.935 16.814 ( 1.118 -1.933 -1.073) 2.477 17.053 ( -1.254 2.235 -0.256) 2.576 17.337 ( 0.466 3.567 -0.381) 3.617 22.596 ( 0.133 -0.118 -0.312) 0.359 22.741 ( -0.365 0.761 0.228) 0.874 26.465 ( 0.629 -0.073 0.321) 0.710 26.525 ( -0.949 0.111 -0.225) 0.982 36.024 ( -0.933 -0.641 -0.527) 1.249 36.693 ( 5.260 -0.002 3.042) 6.076 36.920 ( -3.502 7.625 12.615) 15.150 37.456 ( 1.739 -8.561 -13.511) 16.089 ======================= Grid point 332 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.123 6.759 5.323) 8.605 2.543 ( 7.598 4.084 9.711) 12.989 2.612 ( 0.980 4.013 1.505) 4.396 2.821 ( 3.708 4.770 0.482) 6.061 3.009 ( -3.823 2.920 -1.298) 4.982 3.317 ( -11.130 -0.892 2.151) 11.371 3.944 ( -1.301 -2.978 14.738) 15.092 4.325 ( 1.925 4.106 -6.479) 7.909 4.720 ( 0.820 -2.021 0.761) 2.310 5.167 ( 0.173 1.943 -8.466) 8.688 5.328 ( 6.757 8.544 -3.799) 11.537 5.393 ( -2.653 -1.667 0.093) 3.134 5.562 ( 0.787 1.909 -3.887) 4.402 5.733 ( -3.703 5.777 10.397) 12.457 5.987 ( -4.510 11.369 1.435) 12.314 6.257 ( 13.534 13.342 -7.961) 20.605 6.482 ( -3.347 -0.059 -2.599) 4.238 6.736 ( -6.620 9.616 -1.822) 11.815 7.035 ( 0.517 8.448 -0.609) 8.486 7.073 ( -5.842 -10.099 3.724) 12.247 7.210 ( 1.084 4.035 -1.351) 4.391 7.255 ( 2.640 0.527 0.669) 2.774 7.730 ( -1.088 0.113 -0.134) 1.102 8.239 ( 4.322 -21.435 0.355) 21.870 16.791 ( 3.791 -0.307 0.189) 3.808 16.837 ( 0.879 0.403 -0.546) 1.110 16.979 ( -2.807 3.530 -0.420) 4.529 17.238 ( -1.809 6.161 -0.974) 6.494 22.603 ( 0.341 -0.528 -0.036) 0.630 22.727 ( -0.317 0.356 0.291) 0.559 26.481 ( 0.913 -0.719 0.298) 1.200 26.522 ( -1.004 -0.966 -0.567) 1.505 36.039 ( 0.078 -1.917 -0.444) 1.969 36.611 ( 0.322 10.675 2.896) 11.066 36.874 ( -1.339 -0.737 12.167) 12.263 37.553 ( 0.521 -3.248 -15.520) 15.865 ======================= Grid point 333 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.994 11.441 0.979) 11.525 2.488 ( 1.979 9.141 7.787) 12.170 2.502 ( 1.321 11.365 5.073) 12.516 2.785 ( 4.594 6.499 -4.156) 8.979 2.886 ( -1.976 2.637 4.855) 5.867 3.218 ( -13.145 -0.202 1.383) 13.219 3.963 ( -4.658 0.781 10.642) 11.643 4.284 ( 7.221 4.330 -0.967) 8.475 4.742 ( -1.901 -0.268 2.705) 3.317 5.040 ( 2.550 12.212 -2.034) 12.640 5.252 ( 0.338 1.958 -10.192) 10.384 5.393 ( 1.808 1.289 -0.779) 2.353 5.468 ( -0.626 6.410 -2.785) 7.017 5.648 ( -1.648 5.023 7.185) 8.920 5.716 ( -3.446 10.845 1.475) 11.474 6.119 ( 8.350 11.138 -10.631) 17.515 6.470 ( 0.670 -0.429 -1.931) 2.088 6.582 ( -1.322 3.850 -1.579) 4.366 6.852 ( 1.380 10.864 0.740) 10.977 6.988 ( -1.204 11.356 -0.154) 11.421 7.170 ( -8.650 -4.402 6.185) 11.509 7.270 ( 2.115 5.903 0.074) 6.271 7.859 ( 4.095 -11.962 1.429) 12.724 8.638 ( 1.473 -18.506 -3.424) 18.878 16.806 ( 1.005 2.523 -0.085) 2.717 16.811 ( -1.266 2.764 -0.374) 3.063 16.885 ( 0.685 3.890 -0.564) 3.990 17.097 ( -0.664 7.105 -0.859) 7.188 22.623 ( 0.363 -1.182 0.087) 1.239 22.723 ( -0.097 -0.143 0.406) 0.441 26.511 ( 0.849 -1.526 0.102) 1.750 26.533 ( -1.257 -1.591 -0.416) 2.070 36.101 ( 1.912 -3.998 -0.356) 4.445 36.424 ( -4.070 7.634 3.799) 9.448 36.870 ( 1.348 4.008 10.626) 11.436 37.511 ( -1.351 4.754 -16.915) 17.622 ======================= Grid point 334 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 6.432 13.225 1.409) 14.773 2.234 ( -1.916 18.087 7.289) 19.594 2.329 ( -0.594 9.299 -1.509) 9.440 2.673 ( 4.306 8.300 -6.641) 11.469 2.879 ( 8.089 6.955 16.587) 19.722 3.064 ( -11.813 0.999 -1.360) 11.933 3.844 ( -4.906 7.933 5.966) 11.072 4.310 ( 4.890 1.366 8.945) 10.285 4.704 ( -1.041 2.802 0.310) 3.005 4.841 ( 2.360 10.926 -1.506) 11.279 5.203 ( -0.789 3.731 -4.333) 5.772 5.305 ( -6.274 6.352 -6.047) 10.783 5.395 ( 7.466 3.719 -1.681) 8.509 5.487 ( 1.253 3.702 5.473) 6.725 5.678 ( 2.102 -0.085 -2.080) 2.959 6.004 ( 7.600 9.362 -11.916) 16.953 6.464 ( 1.521 8.191 -2.040) 8.577 6.502 ( 2.566 1.064 0.146) 2.781 6.716 ( 3.194 9.839 1.047) 10.397 6.829 ( 6.177 3.932 -3.476) 8.106 7.062 ( -3.925 13.170 6.365) 15.145 7.190 ( -4.092 -2.667 2.002) 5.278 8.164 ( 1.334 -16.253 3.899) 16.767 8.895 ( -3.834 -12.082 -7.275) 14.615 16.684 ( -3.163 6.998 -0.683) 7.711 16.735 ( -1.056 4.530 -0.166) 4.654 16.876 ( 5.196 1.713 -0.767) 5.525 16.992 ( 2.051 5.129 0.321) 5.533 22.648 ( -0.508 -1.510 -0.150) 1.600 22.738 ( 0.843 -1.241 0.514) 1.586 26.541 ( -1.376 -1.902 -0.357) 2.374 26.561 ( 0.268 -2.295 0.401) 2.345 36.203 ( 0.680 -2.580 1.222) 2.934 36.296 ( -0.924 1.182 1.894) 2.416 36.792 ( 1.296 7.988 9.852) 12.750 37.291 ( -2.350 13.947 -15.152) 20.727 ======================= Grid point 338 (169/227) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 18.730 0.000 8.670) 20.640 2.293 ( 6.796 0.000 6.404) 9.338 2.399 ( 8.843 0.000 -6.656) 11.068 2.462 ( 3.431 0.000 -3.817) 5.132 3.192 ( 7.499 0.000 4.064) 8.529 3.402 ( 3.809 0.000 16.573) 17.005 3.694 ( 13.280 0.000 7.744) 15.373 4.340 ( -5.984 -0.000 17.323) 18.328 4.573 ( 3.603 0.000 -3.017) 4.699 4.726 ( 5.486 0.000 -10.449) 11.802 4.818 ( 0.754 0.000 -2.973) 3.067 5.350 ( -4.690 -0.000 -2.595) 5.360 5.359 ( -7.063 -0.000 -9.650) 11.958 5.571 ( 3.015 0.000 -0.208) 3.023 5.630 ( 7.155 0.000 3.785) 8.095 6.074 ( 11.575 0.000 -3.415) 12.069 6.421 ( 15.999 0.000 -4.399) 16.592 6.701 ( 10.845 0.000 0.041) 10.845 6.827 ( 12.674 0.000 1.683) 12.785 6.979 ( -2.146 -0.000 -2.967) 3.662 7.075 ( -2.858 -0.000 3.519) 4.533 7.361 ( 5.212 0.000 -3.028) 6.028 8.295 ( -15.975 -0.000 6.782) 17.355 8.734 ( -3.864 -0.000 -17.523) 17.944 16.425 ( 1.145 0.000 1.016) 1.531 16.542 ( 0.343 0.000 -1.117) 1.168 17.104 ( 6.738 0.000 1.510) 6.905 17.356 ( 9.211 0.000 -0.178) 9.213 22.607 ( -0.654 -0.000 -0.898) 1.110 22.827 ( -1.469 -0.000 -0.592) 1.584 26.504 ( -1.415 -0.000 0.495) 1.499 26.627 ( -1.631 -0.000 0.738) 1.790 35.854 ( -4.039 -0.000 3.596) 5.408 36.414 ( -1.455 -0.000 -3.618) 3.899 36.775 ( 10.970 0.000 -2.501) 11.251 37.408 ( 12.733 0.000 12.471) 17.822 ======================= Grid point 339 (170/227) ======================= q-point: ( 0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 13.272 -4.480 6.315) 15.366 2.342 ( 1.925 -1.905 2.738) 3.851 2.516 ( 7.264 -2.687 -0.359) 7.753 2.559 ( 6.954 -4.148 -0.836) 8.141 3.220 ( 5.889 4.589 5.020) 8.997 3.526 ( 2.429 -4.606 16.753) 17.544 3.788 ( 6.276 2.624 3.818) 7.801 4.299 ( -5.370 0.562 13.730) 14.754 4.705 ( 5.480 -1.463 -6.658) 8.747 4.709 ( 4.301 -5.654 -4.016) 8.160 4.957 ( 4.956 -9.638 -6.850) 12.821 5.300 ( -6.149 -3.519 -8.269) 10.889 5.385 ( -6.299 -10.036 -2.774) 12.169 5.634 ( 2.926 -3.081 1.183) 4.411 5.721 ( 6.021 -1.840 3.310) 7.113 6.182 ( 12.657 0.936 -3.286) 13.110 6.554 ( 12.840 2.118 -0.578) 13.027 6.811 ( 4.939 -0.728 -0.118) 4.993 6.882 ( -8.082 -0.453 5.298) 9.674 6.994 ( 7.211 -4.307 2.941) 8.899 7.112 ( 10.232 0.996 -6.993) 12.433 7.414 ( 5.512 0.394 -2.928) 6.254 8.079 ( -14.037 6.930 4.417) 16.266 8.578 ( -8.439 7.159 -14.095) 17.920 16.473 ( 0.785 -3.761 1.385) 4.084 16.577 ( 0.441 -3.558 -1.603) 3.927 17.161 ( 6.077 1.737 0.845) 6.377 17.428 ( 7.191 1.605 0.097) 7.368 22.600 ( -0.248 0.084 -0.814) 0.855 22.803 ( -1.307 0.802 -0.283) 1.560 26.490 ( -0.152 0.652 0.436) 0.799 26.599 ( -1.796 1.070 0.588) 2.172 35.874 ( -3.055 -5.073 2.628) 6.479 36.409 ( -0.814 -1.987 -1.369) 2.546 36.920 ( 6.337 -5.529 -2.977) 8.921 37.490 ( 11.240 7.045 9.456) 16.291 ======================= Grid point 340 (171/227) ======================= q-point: ( 0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 4.740 -2.701 5.449) 7.711 2.461 ( 4.617 -5.113 2.688) 7.395 2.619 ( 5.297 -1.236 2.400) 5.945 2.720 ( 4.208 -6.693 1.237) 8.002 3.180 ( 5.255 7.018 4.717) 9.955 3.610 ( -1.521 0.834 9.316) 9.476 3.774 ( 0.495 1.173 8.016) 8.117 4.273 ( -3.985 -1.408 8.777) 9.741 4.722 ( 5.184 0.833 -8.284) 9.808 4.927 ( 2.552 -9.307 -5.497) 11.107 5.155 ( 1.731 -6.379 -8.820) 11.021 5.378 ( 1.844 -9.491 -2.276) 9.933 5.520 ( -6.716 -11.112 -1.726) 13.098 5.718 ( 4.316 -0.289 5.885) 7.304 5.876 ( 2.969 -12.351 -1.015) 12.744 6.308 ( 11.979 -0.434 -2.204) 12.187 6.612 ( 7.912 3.143 1.221) 8.600 6.799 ( -2.983 -3.482 3.416) 5.718 6.897 ( 0.904 0.132 -0.351) 0.979 7.135 ( 3.583 -3.209 3.319) 5.844 7.198 ( 7.163 -0.797 -6.430) 9.658 7.410 ( 1.315 4.993 -2.862) 5.903 7.820 ( -5.717 8.583 1.425) 10.411 8.271 ( -12.587 11.403 -8.269) 18.891 16.571 ( 0.677 -5.657 1.404) 5.868 16.661 ( 0.429 -5.227 -1.907) 5.581 17.164 ( 3.586 3.608 0.015) 5.087 17.451 ( 4.711 2.767 0.345) 5.475 22.596 ( -0.013 0.084 -0.640) 0.646 22.775 ( -0.902 0.966 0.002) 1.322 26.481 ( 0.861 0.812 0.315) 1.224 26.559 ( -1.608 1.368 0.287) 2.130 35.950 ( -1.529 -4.934 0.097) 5.166 36.478 ( 0.330 -5.901 3.065) 6.657 37.066 ( -1.426 -7.178 -0.622) 7.345 37.435 ( 10.971 11.984 2.557) 16.448 ======================= Grid point 341 (172/227) ======================= q-point: ( 0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 3.271 -4.719 7.334) 9.314 2.558 ( 2.242 -1.162 1.327) 2.853 2.676 ( 2.653 0.206 2.117) 3.400 2.882 ( 0.869 -7.272 3.620) 8.170 3.104 ( 6.273 8.530 4.688) 11.580 3.477 ( -7.114 7.372 -1.038) 10.297 3.824 ( -0.674 -2.925 15.516) 15.804 4.303 ( -1.067 -3.379 4.252) 5.535 4.733 ( 4.630 1.914 -9.322) 10.583 5.064 ( -0.270 -5.921 -8.116) 10.050 5.229 ( -2.514 -5.638 -5.807) 8.475 5.528 ( 5.264 -1.574 -0.955) 5.576 5.592 ( -5.335 -3.754 -1.008) 6.600 5.753 ( 0.185 0.318 11.105) 11.111 6.218 ( 5.086 -16.653 -3.986) 17.863 6.397 ( 11.857 3.602 -2.174) 12.581 6.615 ( 1.099 1.093 -2.036) 2.559 6.825 ( -0.926 7.756 1.173) 7.898 6.973 ( 3.766 -11.650 1.987) 12.404 7.156 ( -3.088 0.830 0.117) 3.200 7.208 ( -5.440 5.864 -3.615) 8.777 7.301 ( 3.927 1.427 -3.037) 5.166 7.715 ( 2.985 2.035 1.699) 3.993 7.942 ( -11.810 7.857 -2.235) 14.360 16.683 ( 0.860 -5.402 0.962) 5.554 16.754 ( 0.307 -4.665 -1.609) 4.945 17.111 ( 0.827 4.443 -0.583) 4.557 17.426 ( 2.138 4.149 0.240) 4.674 22.595 ( 0.059 -0.025 -0.438) 0.443 22.751 ( -0.535 0.839 0.195) 1.014 26.480 ( 1.241 0.598 0.256) 1.401 26.523 ( -1.133 0.900 -0.109) 1.451 36.002 ( 0.175 -1.826 -1.769) 2.548 36.629 ( 1.340 -8.335 6.383) 10.584 37.060 ( -8.689 4.801 10.008) 14.096 37.396 ( 11.210 2.115 -11.913) 16.494 ======================= Grid point 342 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -0.220 0.835 5.372) 5.441 2.610 ( 2.938 -2.296 5.025) 6.257 2.679 ( 1.664 0.553 0.930) 1.985 2.932 ( -2.872 3.150 1.467) 4.508 3.075 ( 7.835 2.999 7.253) 11.090 3.243 ( -10.509 7.185 -2.369) 12.949 3.888 ( -2.762 -3.114 13.712) 14.330 4.371 ( 3.620 -1.730 0.366) 4.029 4.729 ( 2.917 1.214 -5.765) 6.574 5.109 ( -2.567 -2.906 -9.877) 10.611 5.301 ( -0.932 -5.194 -3.750) 6.474 5.520 ( -1.189 5.566 0.480) 5.712 5.589 ( 1.778 0.092 -4.487) 4.828 5.746 ( -4.012 0.491 14.037) 14.607 6.291 ( 6.431 17.380 -1.651) 18.605 6.413 ( 0.888 -2.052 -4.798) 5.294 6.665 ( 13.274 10.629 -5.827) 17.975 6.760 ( -7.460 -11.082 1.702) 13.467 6.847 ( -9.191 10.845 -1.539) 14.299 7.141 ( 0.105 3.180 -0.725) 3.263 7.219 ( 2.515 -5.533 -1.755) 6.326 7.333 ( 1.826 0.401 1.019) 2.129 7.709 ( -3.976 1.855 0.934) 4.486 7.902 ( -0.893 -15.016 2.099) 15.188 16.775 ( -0.025 -3.687 0.415) 3.710 16.819 ( -0.100 -2.347 -0.883) 2.509 17.032 ( -0.078 4.205 -0.670) 4.259 17.349 ( 0.909 5.944 -0.409) 6.027 22.597 ( 0.061 -0.307 -0.258) 0.405 22.734 ( -0.269 0.625 0.311) 0.748 26.486 ( 1.036 0.018 0.306) 1.080 26.504 ( -0.633 0.178 -0.473) 0.810 36.027 ( 1.707 -0.708 -2.170) 2.850 36.779 ( 0.016 1.740 3.541) 3.945 36.839 ( -6.901 3.224 14.229) 16.140 37.491 ( 6.331 -2.977 -14.843) 16.409 ======================= Grid point 343 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -0.170 6.489 1.096) 6.583 2.579 ( -2.047 4.748 5.023) 7.208 2.770 ( -5.839 4.964 -1.021) 7.731 2.816 ( 9.351 -0.510 7.700) 12.124 2.992 ( -5.573 7.915 -7.285) 12.115 3.121 ( -0.175 1.390 12.734) 12.811 3.919 ( -4.554 -2.014 9.657) 10.865 4.424 ( 7.048 2.248 -0.532) 7.417 4.727 ( -0.620 0.196 -0.518) 0.831 5.101 ( -2.560 -1.322 -9.284) 9.721 5.353 ( -2.142 3.903 -4.975) 6.676 5.391 ( 2.327 1.358 -0.566) 2.753 5.560 ( 0.752 3.392 -3.595) 4.999 5.715 ( -2.784 2.475 11.687) 12.266 5.991 ( 3.024 18.019 -2.385) 18.426 6.382 ( -1.077 14.298 -7.566) 16.213 6.476 ( 3.719 0.023 -2.361) 4.405 6.691 ( 5.600 6.002 -0.343) 8.216 6.913 ( -7.980 -6.853 6.135) 12.177 7.047 ( 0.899 5.249 -1.842) 5.635 7.194 ( -1.412 8.038 0.195) 8.164 7.383 ( 6.901 0.711 -1.340) 7.066 7.706 ( -1.937 -6.104 0.924) 6.470 8.252 ( -2.881 -22.051 -0.334) 22.241 16.798 ( -3.533 -0.471 -0.073) 3.565 16.825 ( -1.669 0.564 -0.094) 1.764 16.978 ( 3.178 3.153 -0.430) 4.497 17.243 ( 2.446 7.116 -1.100) 7.605 22.607 ( -0.041 -0.735 -0.178) 0.757 22.725 ( 0.011 0.263 0.398) 0.477 26.498 ( -1.102 -0.803 -0.360) 1.410 26.504 ( 1.194 -0.388 0.140) 1.263 36.074 ( 3.590 -2.196 -2.024) 4.670 36.534 ( -8.046 10.197 6.288) 14.431 36.918 ( 0.627 -2.002 10.637) 10.842 37.542 ( 3.711 0.929 -15.402) 15.870 ======================= Grid point 344 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 3.488 7.600 -0.408) 8.372 2.451 ( -2.257 8.513 5.816) 10.554 2.538 ( -1.444 12.758 0.939) 12.874 2.793 ( -4.942 5.664 -7.875) 10.887 2.946 ( -2.730 -3.247 4.485) 6.173 3.119 ( 10.748 5.206 16.158) 20.092 3.888 ( -5.187 1.696 6.791) 8.712 4.434 ( 5.469 4.221 4.209) 8.090 4.702 ( -2.368 0.432 -0.286) 2.424 5.054 ( 0.939 5.030 -5.871) 7.788 5.243 ( 1.714 2.666 -9.636) 10.144 5.368 ( -2.526 7.332 -0.349) 7.762 5.516 ( 3.512 2.713 -2.171) 4.941 5.611 ( 0.917 6.025 7.049) 9.318 5.769 ( 3.751 9.005 -2.371) 10.039 6.192 ( 2.756 6.779 -6.007) 9.468 6.527 ( 3.578 -0.040 -0.529) 3.617 6.629 ( 5.360 6.895 -1.626) 8.883 6.898 ( 0.648 1.086 2.620) 2.909 6.975 ( 0.111 8.297 -0.527) 8.315 7.070 ( 0.519 0.715 1.066) 1.384 7.319 ( 2.350 11.162 2.316) 11.640 7.885 ( -2.686 -14.311 0.787) 14.582 8.562 ( -6.612 -17.450 -4.725) 19.249 16.726 ( -4.673 2.907 -0.039) 5.504 16.780 ( -1.556 2.131 0.081) 2.639 16.971 ( 4.649 2.680 -0.246) 5.372 17.152 ( 5.077 7.032 -1.153) 8.750 22.620 ( -0.482 -1.004 -0.321) 1.159 22.730 ( 0.485 -0.548 0.493) 0.882 26.500 ( -1.321 -0.981 -0.389) 1.691 26.532 ( 0.647 -1.455 0.437) 1.651 36.172 ( 3.933 -3.293 -0.819) 5.195 36.326 ( -4.726 4.677 4.134) 7.830 36.923 ( -0.460 3.650 10.705) 11.320 37.466 ( 2.206 8.223 -14.359) 16.694 ======================= Grid point 349 (176/227) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 13.581 0.000 4.355) 14.262 2.334 ( -0.799 -0.000 3.487) 3.578 2.512 ( 3.404 0.000 -3.050) 4.571 2.630 ( 7.795 0.000 2.850) 8.300 3.329 ( 4.778 0.000 7.097) 8.556 3.557 ( 4.900 0.000 18.302) 18.947 3.868 ( 1.933 0.000 0.663) 2.044 4.284 ( -4.244 -0.000 14.430) 15.041 4.658 ( 5.151 0.000 -2.427) 5.694 4.824 ( 1.330 0.000 -5.266) 5.432 4.824 ( 6.786 0.000 -9.176) 11.413 5.183 ( -5.972 -0.000 -10.297) 11.904 5.208 ( -7.529 -0.000 -4.642) 8.845 5.619 ( 1.146 0.000 0.890) 1.451 5.786 ( 5.512 0.000 4.617) 7.190 6.332 ( 14.227 0.000 -5.096) 15.112 6.649 ( -3.591 -0.000 2.493) 4.372 6.814 ( 1.264 0.000 6.746) 6.863 6.858 ( 4.423 0.000 -0.254) 4.430 7.049 ( 7.287 0.000 2.873) 7.833 7.215 ( 9.226 0.000 -7.230) 11.722 7.469 ( 5.331 0.000 -3.718) 6.500 8.012 ( -10.983 -0.000 3.366) 11.487 8.525 ( -10.874 -0.000 -12.587) 16.634 16.446 ( 0.261 0.000 1.748) 1.767 16.546 ( 0.496 0.000 -1.714) 1.784 17.244 ( 5.805 0.000 0.156) 5.807 17.509 ( 5.150 0.000 0.243) 5.156 22.598 ( -0.031 -0.000 -0.732) 0.733 22.795 ( -1.380 -0.000 -0.194) 1.394 26.501 ( 0.937 0.000 0.402) 1.019 26.590 ( -1.969 -0.000 0.345) 1.999 35.805 ( -1.723 -0.000 3.518) 3.918 36.367 ( -1.744 -0.000 -3.615) 4.014 36.934 ( 4.314 0.000 0.114) 4.316 37.688 ( 10.822 0.000 6.643) 12.698 ======================= Grid point 350 (177/227) ======================= q-point: ( 0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 1.823 0.918 4.442) 4.889 2.426 ( 5.762 -5.039 2.670) 8.107 2.582 ( 0.316 -5.133 -0.758) 5.198 2.706 ( 4.244 -0.866 2.496) 4.999 3.354 ( 5.575 4.351 7.677) 10.438 3.643 ( 2.616 0.326 15.909) 16.126 3.825 ( -1.892 3.358 0.394) 3.874 4.253 ( -3.486 0.895 11.744) 12.283 4.780 ( 3.711 -1.116 -7.204) 8.180 4.789 ( 4.395 -4.793 -4.091) 7.682 5.047 ( 5.613 -9.679 -10.463) 15.318 5.148 ( -4.103 -8.494 -5.660) 11.001 5.223 ( -8.320 -10.543 -2.902) 13.740 5.669 ( 0.088 -4.651 1.555) 4.905 5.839 ( 2.876 -0.165 4.363) 5.228 6.453 ( 12.471 1.586 -5.012) 13.534 6.581 ( -9.372 -3.192 2.874) 10.310 6.810 ( 3.407 4.477 3.764) 6.769 6.951 ( 6.146 -2.023 1.256) 6.591 7.129 ( 2.931 -1.845 3.472) 4.904 7.258 ( 3.087 1.695 -5.501) 6.532 7.499 ( 3.194 1.706 -3.453) 5.004 7.888 ( -2.999 5.068 0.425) 5.905 8.307 ( -12.751 7.869 -8.245) 17.102 16.486 ( -0.126 -3.886 1.856) 4.308 16.581 ( 0.423 -3.489 -1.917) 4.004 17.267 ( 3.564 3.060 -0.515) 4.725 17.535 ( 2.922 1.744 0.255) 3.412 22.596 ( 0.025 0.063 -0.606) 0.610 22.777 ( -1.035 0.468 0.044) 1.137 26.510 ( 1.789 0.694 0.268) 1.938 26.562 ( -1.648 0.850 0.029) 1.854 35.846 ( -0.305 -4.678 2.257) 5.203 36.382 ( -1.120 -4.198 -1.663) 4.652 36.978 ( -0.608 -2.030 1.508) 2.601 37.733 ( 9.883 7.650 2.336) 12.714 ======================= Grid point 351 (178/227) ======================= q-point: (-0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.570 -3.384 5.847) 6.780 2.548 ( 2.299 -2.875 1.036) 3.824 2.672 ( -0.555 -3.865 0.896) 4.006 2.770 ( -0.556 -4.348 2.249) 4.926 3.326 ( 6.778 6.970 7.765) 12.443 3.556 ( -5.336 8.245 0.605) 9.840 3.811 ( 0.223 -0.788 12.474) 12.500 4.256 ( -0.576 -2.312 8.495) 8.823 4.796 ( 4.263 1.345 -9.936) 10.895 4.927 ( -0.372 -6.855 -6.541) 9.482 5.109 ( -0.871 -4.113 -9.798) 10.662 5.361 ( -7.730 -12.709 2.362) 15.061 5.446 ( 3.847 -12.822 -1.449) 13.464 5.767 ( -1.503 -2.927 5.792) 6.661 5.932 ( 1.910 -12.845 -1.243) 13.046 6.475 ( -5.045 -1.447 -2.472) 5.802 6.639 ( 6.825 -0.430 -0.694) 6.873 6.792 ( 2.092 -2.219 1.489) 3.394 7.023 ( 5.460 0.799 -0.185) 5.521 7.149 ( -4.172 2.268 4.625) 6.629 7.206 ( -2.798 1.236 -3.679) 4.785 7.442 ( 3.066 7.380 -5.190) 9.529 7.800 ( 2.584 4.329 0.879) 5.118 7.990 ( -10.952 10.861 -2.579) 15.638 16.579 ( -0.419 -6.030 1.530) 6.235 16.663 ( 0.324 -5.215 -1.876) 5.552 17.212 ( 0.925 5.216 -0.936) 5.379 17.510 ( 0.780 3.136 0.093) 3.233 22.594 ( -0.052 0.048 -0.475) 0.480 22.759 ( -0.576 0.636 0.298) 0.908 26.510 ( 0.821 1.119 0.108) 1.392 26.534 ( 0.225 1.085 -0.266) 1.139 35.945 ( 1.168 -4.790 -0.538) 4.960 36.491 ( -0.077 -8.296 2.524) 8.672 36.982 ( -6.915 -1.559 4.468) 8.379 37.654 ( 9.902 11.134 -4.360) 15.525 ======================= Grid point 352 (179/227) ======================= q-point: (-0.30 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -2.977 -5.531 6.626) 9.131 2.592 ( -0.198 -1.372 0.472) 1.464 2.691 ( -1.368 -0.022 0.069) 1.370 2.849 ( -4.686 -5.464 3.331) 7.931 3.284 ( 5.764 7.929 11.849) 15.378 3.326 ( -3.183 8.978 -6.843) 11.729 3.840 ( -2.652 -1.136 13.427) 13.734 4.354 ( 3.945 -4.727 5.052) 7.964 4.779 ( 1.644 2.019 -8.962) 9.332 4.997 ( -2.517 -4.243 -8.191) 9.562 5.185 ( 0.459 -6.063 -6.965) 9.246 5.471 ( -6.183 -5.457 3.898) 9.122 5.591 ( 2.162 -2.512 -1.856) 3.799 5.750 ( -3.707 1.182 10.169) 10.888 6.306 ( 3.055 -20.157 -5.019) 20.996 6.384 ( -13.340 0.627 -3.911) 13.916 6.651 ( 8.103 5.625 -2.707) 10.229 6.936 ( 1.376 -1.119 -1.290) 2.194 6.985 ( -3.043 9.914 1.968) 10.556 7.063 ( 1.113 -3.715 -1.997) 4.362 7.177 ( 1.606 -2.587 0.290) 3.059 7.322 ( -0.116 4.709 -3.287) 5.744 7.736 ( -6.945 5.706 0.594) 9.008 7.787 ( 3.012 0.959 4.348) 5.375 16.681 ( -1.329 -5.509 0.980) 5.751 16.754 ( 0.146 -4.521 -1.477) 4.758 17.115 ( -0.250 5.041 -0.734) 5.100 17.445 ( -0.384 4.080 -0.549) 4.135 22.593 ( -0.132 -0.109 -0.354) 0.393 22.744 ( -0.228 0.652 0.462) 0.831 26.492 ( -0.583 0.601 -0.171) 0.854 26.526 ( 1.954 1.269 -0.283) 2.347 36.024 ( 2.614 -2.080 -2.582) 4.222 36.670 ( 0.352 -9.852 5.620) 11.348 36.873 ( -11.554 4.624 8.825) 15.256 37.581 ( 9.848 5.917 -11.544) 16.287 ======================= Grid point 353 (180/227) ======================= q-point: (-0.20 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -3.805 -0.151 4.828) 6.149 2.604 ( -3.582 -0.989 1.806) 4.132 2.681 ( -2.356 -1.893 -1.450) 3.352 2.837 ( -9.199 -0.018 4.545) 10.261 3.103 ( 0.637 9.005 -2.008) 9.249 3.295 ( 9.717 5.117 9.379) 14.441 3.848 ( -4.470 -1.770 10.115) 11.199 4.490 ( 5.986 -2.790 2.069) 6.921 4.730 ( -2.352 1.514 -3.918) 4.814 5.017 ( -1.706 -2.601 -8.892) 9.420 5.295 ( 0.914 -5.134 -5.953) 7.914 5.432 ( -4.931 1.388 1.308) 5.287 5.609 ( 0.720 1.899 -2.986) 3.611 5.734 ( -1.227 -0.284 11.511) 11.580 6.194 ( -9.038 5.550 -4.270) 11.433 6.531 ( -7.790 8.613 -5.384) 12.800 6.575 ( 1.946 -5.107 -1.834) 5.765 6.748 ( 5.381 7.635 1.535) 9.466 6.943 ( 9.330 6.765 -3.212) 11.963 7.103 ( -3.690 -0.932 -0.091) 3.807 7.243 ( 0.222 0.961 -0.686) 1.202 7.364 ( 1.872 -6.695 -1.216) 7.057 7.656 ( -1.770 -0.964 2.461) 3.181 7.879 ( -1.347 -11.158 3.356) 11.730 16.734 ( -3.131 -2.562 0.423) 4.067 16.802 ( -1.203 -1.281 -0.664) 1.879 17.049 ( 1.315 2.296 -0.134) 2.649 17.366 ( 0.783 4.360 -1.528) 4.686 22.595 ( -0.177 -0.384 -0.276) 0.505 22.733 ( -0.001 0.501 0.514) 0.717 26.480 ( -0.654 -0.042 -0.238) 0.697 26.525 ( 1.695 0.962 -0.250) 1.965 36.081 ( 4.226 -1.395 -3.006) 5.371 36.622 ( -11.482 9.132 6.952) 16.234 36.851 ( -0.347 -7.240 9.516) 11.962 37.593 ( 7.491 1.647 -13.961) 15.930 ======================= Grid point 354 (181/227) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -0.980 3.194 2.504) 4.175 2.562 ( -0.748 3.120 3.406) 4.680 2.645 ( -5.466 3.312 -2.014) 6.701 2.709 ( -11.805 -0.150 2.070) 11.986 3.011 ( 5.216 5.740 1.685) 7.937 3.343 ( 10.797 3.610 12.803) 17.133 3.844 ( -4.765 -1.204 6.828) 8.413 4.557 ( 4.673 2.135 1.563) 5.370 4.673 ( -4.438 0.166 -0.692) 4.495 5.038 ( 0.154 -2.565 -8.194) 8.588 5.274 ( -1.955 2.327 -8.998) 9.497 5.444 ( 1.118 -0.461 2.075) 2.402 5.571 ( 1.095 1.728 -2.355) 3.119 5.717 ( 0.448 3.245 7.437) 8.127 5.991 ( -2.119 9.641 -3.216) 10.382 6.311 ( 0.215 6.706 -3.292) 7.473 6.592 ( -0.287 2.778 1.340) 3.097 6.729 ( 1.873 1.260 5.150) 5.623 6.935 ( 7.433 3.079 -6.805) 10.538 7.056 ( -0.186 3.065 -1.362) 3.359 7.178 ( 0.865 4.447 0.010) 4.531 7.495 ( 3.000 -2.113 -0.873) 3.772 7.653 ( -2.440 -1.557 2.655) 3.927 8.143 ( -6.441 -19.283 -0.947) 20.352 16.712 ( -3.567 0.624 0.134) 3.624 16.787 ( -1.453 0.618 0.107) 1.582 17.047 ( 2.539 1.158 0.268) 2.803 17.303 ( 3.062 4.590 -2.104) 5.905 22.601 ( -0.310 -0.591 -0.323) 0.741 22.730 ( 0.218 0.007 0.507) 0.552 26.476 ( -0.802 -0.354 -0.186) 0.896 26.528 ( 1.010 0.112 -0.044) 1.017 36.165 ( 5.045 -2.575 -2.065) 6.029 36.373 ( -7.792 6.675 5.309) 11.552 36.944 ( -1.637 -1.989 10.046) 10.371 37.588 ( 4.850 4.249 -13.446) 14.913 ======================= Grid point 360 (182/227) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -3.920 -0.000 6.763) 7.817 2.439 ( 5.524 0.000 -0.499) 5.546 2.514 ( -2.706 -0.000 -0.363) 2.730 2.731 ( 0.632 0.000 1.921) 2.022 3.469 ( 5.935 0.000 9.057) 10.828 3.727 ( 5.519 0.000 16.659) 17.549 3.818 ( -5.148 -0.000 -1.887) 5.483 4.245 ( -4.706 -0.000 12.751) 13.591 4.735 ( 2.201 0.000 -4.765) 5.249 4.867 ( 4.777 0.000 -3.284) 5.797 4.935 ( 6.222 0.000 -6.913) 9.301 5.006 ( -9.584 -0.000 -5.570) 11.085 5.061 ( -1.326 -0.000 -12.282) 12.354 5.624 ( -1.153 -0.000 2.298) 2.572 5.860 ( -0.575 -0.000 4.644) 4.679 6.409 ( -12.626 -0.000 1.917) 12.770 6.627 ( 14.423 0.000 -5.545) 15.453 6.901 ( 0.124 0.000 -0.445) 0.462 6.960 ( 2.407 0.000 7.096) 7.493 7.134 ( -0.415 -0.000 3.294) 3.320 7.270 ( -2.997 -0.000 -3.057) 4.281 7.519 ( 0.150 0.000 -3.754) 3.757 7.955 ( 6.527 0.000 -3.210) 7.273 8.238 ( -11.930 -0.000 -4.682) 12.816 16.449 ( -0.485 -0.000 2.091) 2.147 16.548 ( 0.247 0.000 -1.888) 1.904 17.324 ( 1.625 0.000 -1.152) 1.991 17.570 ( 0.611 0.000 0.015) 0.612 22.596 ( -0.077 -0.000 -0.534) 0.540 22.772 ( -0.781 -0.000 0.271) 0.826 26.537 ( 1.214 0.000 0.145) 1.222 26.557 ( 0.051 0.000 -0.332) 0.336 35.811 ( 1.330 0.000 2.838) 3.134 36.321 ( -1.465 -0.000 -2.882) 3.233 36.953 ( -2.834 -0.000 2.682) 3.902 37.903 ( 8.598 0.000 -0.263) 8.602 ======================= Grid point 361 (183/227) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -5.120 -1.035 7.700) 9.305 2.500 ( -1.714 -3.665 -0.657) 4.099 2.538 ( -2.891 -5.867 -0.412) 6.553 2.725 ( -2.856 -0.595 1.014) 3.088 3.507 ( 5.288 3.842 7.331) 9.822 3.656 ( -4.768 8.157 2.366) 9.740 3.839 ( 2.825 -0.429 10.555) 10.935 4.222 ( -3.402 -1.539 11.981) 12.549 4.774 ( -2.060 -3.430 -8.816) 9.681 4.861 ( 1.203 -0.352 -4.346) 4.523 5.008 ( -1.872 -5.817 -10.169) 11.864 5.084 ( -0.466 -7.089 -4.694) 8.515 5.188 ( 5.264 -17.274 -1.349) 18.108 5.651 ( -2.396 -4.607 2.427) 5.732 5.844 ( -3.909 -0.576 4.322) 5.856 6.311 ( -11.874 -2.916 0.392) 12.233 6.736 ( 8.848 1.288 -3.219) 9.503 6.855 ( 0.493 3.207 0.362) 3.265 6.981 ( -6.161 -2.091 1.831) 6.759 7.135 ( -3.063 -1.627 3.154) 4.687 7.202 ( -2.802 2.383 -2.763) 4.601 7.508 ( -1.558 -0.190 -3.509) 3.844 7.981 ( 10.968 7.221 -3.695) 13.642 8.057 ( -8.365 7.013 0.894) 10.952 16.483 ( -0.677 -3.884 1.925) 4.388 16.579 ( 0.046 -3.537 -1.836) 3.985 17.293 ( -0.729 3.458 -1.579) 3.871 17.548 ( -1.739 1.648 -0.280) 2.412 22.593 ( -0.228 0.042 -0.444) 0.501 22.764 ( -0.362 0.334 0.569) 0.753 26.525 ( -0.767 0.822 -0.323) 1.170 26.571 ( 2.915 0.840 -0.339) 3.052 35.879 ( 2.770 -4.155 1.287) 5.157 36.355 ( -1.000 -5.626 -0.965) 5.795 36.911 ( -6.464 0.119 3.893) 7.547 37.913 ( 7.408 7.409 -4.456) 11.385 ======================= Grid point 362 (184/227) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -6.442 -4.595 8.368) 11.517 2.532 ( -5.000 -3.559 0.460) 6.154 2.616 ( -3.928 -5.605 -1.893) 7.101 2.712 ( -5.044 -3.161 0.768) 6.002 3.420 ( -5.834 7.781 -5.234) 11.044 3.503 ( 5.682 6.731 11.258) 14.295 3.852 ( -0.571 1.954 11.968) 12.140 4.304 ( 2.137 -5.822 7.780) 9.949 4.751 ( -6.684 -1.560 -7.689) 10.307 4.907 ( 0.106 -3.479 -3.973) 5.282 5.080 ( 2.737 -4.729 -13.513) 14.576 5.270 ( -1.651 -11.078 3.220) 11.654 5.509 ( 2.668 -10.016 -0.304) 10.369 5.713 ( -5.548 -2.636 7.120) 9.403 5.916 ( -3.015 -16.188 -2.410) 16.642 6.240 ( -12.280 -2.865 -1.621) 12.714 6.727 ( -7.334 1.608 -2.570) 7.936 6.834 ( 0.662 -2.180 0.054) 2.279 6.957 ( -4.228 -2.813 0.144) 5.080 7.108 ( -3.447 1.297 2.813) 4.634 7.175 ( 2.706 0.045 -4.418) 5.181 7.453 ( -1.296 4.606 -4.638) 6.664 7.862 ( 1.091 9.969 2.106) 10.247 7.918 ( 6.855 8.787 3.227) 11.603 16.567 ( -1.053 -5.602 1.476) 5.889 16.661 ( 0.068 -5.395 -1.759) 5.675 17.195 ( -1.979 5.000 -1.267) 5.524 17.480 ( -3.594 2.366 -0.876) 4.392 22.589 ( -0.265 -0.015 -0.327) 0.421 22.754 ( -0.077 0.564 0.766) 0.954 26.501 ( -0.326 1.034 -0.455) 1.176 26.578 ( 2.767 1.598 -0.518) 3.237 35.995 ( 3.861 -4.197 -1.478) 5.891 36.492 ( -0.626 -9.897 2.359) 10.193 36.821 ( -10.057 1.557 6.319) 11.978 37.808 ( 6.869 9.852 -9.523) 15.328 ======================= Grid point 363 (185/227) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -7.810 -6.095 9.270) 13.567 2.521 ( -6.802 -2.429 0.925) 7.282 2.630 ( -3.633 -1.598 -4.059) 5.677 2.727 ( -7.143 -3.311 2.682) 8.317 3.238 ( -1.105 6.013 -4.726) 7.727 3.482 ( 5.914 4.484 9.175) 11.801 3.823 ( -2.436 1.356 12.168) 12.483 4.462 ( 3.743 -6.246 1.060) 7.358 4.683 ( -7.727 -0.526 -1.502) 7.889 4.958 ( 0.236 -2.747 -4.302) 5.110 5.192 ( 3.221 -6.207 -10.924) 12.970 5.359 ( -5.740 -2.782 1.352) 6.520 5.623 ( 0.444 -0.889 -1.666) 1.939 5.702 ( -3.247 -2.997 10.156) 11.076 6.072 ( -12.261 -3.367 -4.213) 13.394 6.319 ( -3.567 -18.242 -2.727) 18.787 6.561 ( -8.806 4.813 -4.500) 10.998 6.874 ( -5.206 -1.915 0.152) 5.549 6.990 ( -1.490 -2.708 -0.587) 3.146 7.114 ( 2.445 0.433 2.281) 3.371 7.197 ( -0.741 -5.415 -3.878) 6.701 7.342 ( 0.122 3.553 -1.101) 3.722 7.704 ( 7.575 12.503 -2.079) 14.766 7.889 ( 4.944 2.148 8.442) 10.016 16.647 ( -1.912 -4.231 0.916) 4.733 16.747 ( -0.312 -3.898 -1.403) 4.155 17.094 ( -1.758 3.141 -0.127) 3.602 17.403 ( -3.155 1.525 -1.954) 4.012 22.588 ( -0.165 -0.167 -0.213) 0.317 22.744 ( 0.003 0.636 0.770) 0.999 26.482 ( -0.021 0.760 -0.394) 0.856 26.570 ( 2.082 1.875 -0.630) 2.872 36.092 ( 4.726 -2.152 -3.132) 6.064 36.627 ( -9.316 1.498 2.906) 9.874 36.709 ( -3.560 -6.530 10.501) 12.868 37.713 ( 6.586 5.708 -13.314) 15.913 ======================= Grid point 364 (186/227) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -6.917 -4.007 9.368) 12.315 2.506 ( -5.916 -3.518 1.389) 7.021 2.598 ( -4.046 -0.246 -4.331) 5.932 2.669 ( -5.556 1.852 3.386) 6.765 3.162 ( 3.355 4.413 -2.209) 5.968 3.497 ( 4.946 2.044 7.932) 9.569 3.806 ( -2.087 0.174 11.424) 11.614 4.557 ( -3.691 -3.655 -8.870) 10.279 4.639 ( -0.644 -0.173 8.189) 8.216 4.991 ( 0.000 -1.663 -4.472) 4.771 5.263 ( -0.220 -0.165 -10.485) 10.489 5.382 ( -0.594 -6.242 1.589) 6.468 5.597 ( -0.667 1.197 -1.925) 2.363 5.741 ( -2.709 -1.053 7.220) 7.783 5.984 ( -8.881 -1.147 -2.235) 9.229 6.407 ( -1.351 3.536 -3.986) 5.497 6.519 ( -4.774 -6.383 -0.093) 7.971 6.843 ( -2.382 0.449 1.264) 2.733 7.012 ( -2.441 -1.811 -0.556) 3.090 7.052 ( 2.840 3.750 -5.636) 7.341 7.225 ( -2.111 1.183 -0.201) 2.428 7.436 ( 2.783 -3.526 1.257) 4.665 7.640 ( 1.084 -4.011 -1.113) 4.302 7.938 ( 7.071 1.473 5.025) 8.799 16.677 ( -1.937 -1.419 0.307) 2.421 16.775 ( -1.017 -0.575 -0.322) 1.212 17.062 ( -0.543 -0.492 0.617) 0.958 17.358 ( -1.050 0.727 -2.811) 3.088 22.591 ( -0.072 -0.303 -0.174) 0.356 22.736 ( 0.010 0.405 0.632) 0.751 26.471 ( -0.065 0.402 -0.190) 0.449 26.555 ( 1.230 1.520 -0.584) 2.041 36.174 ( 5.232 -1.949 -2.800) 6.246 36.413 ( -9.700 6.713 5.419) 12.982 36.858 ( -2.009 -7.079 9.026) 11.645 37.681 ( 5.039 3.042 -13.877) 15.074 ======================= Grid point 371 (187/227) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -8.010 -0.000 10.244) 13.004 2.380 ( -9.840 -0.000 2.130) 10.068 2.466 ( -2.285 -0.000 -5.439) 5.900 2.673 ( -6.119 -0.000 0.128) 6.120 3.566 ( -3.378 -0.000 0.592) 3.429 3.715 ( -1.263 -0.000 5.140) 5.292 3.900 ( 6.254 0.000 11.104) 12.745 4.171 ( -6.194 -0.000 13.951) 15.264 4.679 ( -8.162 -0.000 -10.449) 13.258 4.784 ( -3.900 -0.000 -2.417) 4.588 5.015 ( 1.869 0.000 1.877) 2.649 5.023 ( 7.267 0.000 1.958) 7.526 5.066 ( 7.118 0.000 -20.149) 21.370 5.589 ( -2.877 -0.000 2.621) 3.892 5.787 ( -7.670 -0.000 5.398) 9.379 6.169 ( -10.589 -0.000 0.409) 10.597 6.750 ( -11.808 -0.000 -1.104) 11.859 6.853 ( -5.252 -0.000 0.258) 5.259 6.934 ( 2.176 0.000 -1.238) 2.503 7.058 ( -7.467 -0.000 2.357) 7.830 7.235 ( 4.947 0.000 -3.767) 6.218 7.451 ( -4.910 -0.000 -3.114) 5.814 8.046 ( -6.844 -0.000 7.337) 10.034 8.197 ( 16.305 0.000 -6.471) 17.542 16.442 ( -0.870 -0.000 1.896) 2.087 16.542 ( -0.274 -0.000 -1.560) 1.583 17.303 ( -2.850 -0.000 -2.215) 3.609 17.532 ( -4.239 -0.000 -0.702) 4.296 22.590 ( -0.325 -0.000 -0.340) 0.471 22.766 ( -0.043 -0.000 0.924) 0.925 26.526 ( -0.276 -0.000 -0.596) 0.657 26.611 ( 3.256 0.000 -0.551) 3.302 35.878 ( 4.246 0.000 1.496) 4.501 36.288 ( -1.010 -0.000 -1.380) 1.711 36.845 ( -8.135 -0.000 3.655) 8.918 38.037 ( 5.200 0.000 -7.453) 9.088 ======================= Grid point 372 (188/227) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -8.809 -2.006 11.272) 14.446 2.334 ( -12.471 -6.909 3.438) 14.665 2.466 ( -4.548 -5.007 -6.795) 9.588 2.608 ( -7.932 -1.532 -0.990) 8.139 3.440 ( -10.203 4.211 -3.614) 11.614 3.676 ( 1.980 5.318 9.005) 10.644 3.934 ( 2.145 3.871 9.413) 10.401 4.211 ( -1.120 -6.567 9.955) 11.979 4.590 ( -10.888 -3.551 -6.502) 13.169 4.807 ( -2.376 -4.412 -1.001) 5.110 5.059 ( 6.491 -1.591 -10.263) 12.247 5.118 ( 3.594 -5.888 -4.418) 8.192 5.292 ( 4.804 -15.036 -0.520) 15.794 5.588 ( -4.528 -3.239 3.804) 6.743 5.725 ( -7.847 -2.510 4.112) 9.208 6.071 ( -11.218 -1.147 -1.030) 11.323 6.580 ( -17.329 -0.938 -2.857) 17.588 6.790 ( -7.708 -1.109 1.279) 7.892 6.916 ( -2.045 1.368 -0.228) 2.471 7.021 ( -8.137 -3.309 1.489) 8.910 7.252 ( 6.838 3.767 -6.168) 9.949 7.426 ( -4.085 -1.534 -3.939) 5.878 7.974 ( -1.694 2.946 12.470) 12.925 8.266 ( 17.035 10.792 -5.810) 20.986 16.472 ( -0.935 -3.868 1.515) 4.258 16.570 ( -0.339 -3.721 -1.390) 3.986 17.235 ( -3.844 2.819 -2.206) 5.253 17.457 ( -6.729 1.459 -1.199) 6.989 22.586 ( -0.188 0.011 -0.166) 0.251 22.765 ( 0.114 0.373 1.176) 1.239 26.518 ( 0.415 0.830 -0.663) 1.141 26.632 ( 2.793 1.130 -0.795) 3.115 35.966 ( 5.247 -3.576 -0.308) 6.357 36.335 ( -0.801 -6.302 0.597) 6.381 36.749 ( -9.967 0.957 4.319) 10.904 37.999 ( 2.999 6.670 -11.474) 13.606 ======================= Grid point 373 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -8.837 -4.985 12.417) 16.035 2.339 ( -13.415 -6.963 4.163) 15.677 2.511 ( -4.573 -5.845 -6.663) 9.974 2.583 ( -6.815 -4.739 -2.150) 8.574 3.259 ( -8.536 2.613 -4.105) 9.825 3.612 ( 0.599 4.489 7.940) 9.140 3.887 ( 0.577 4.064 12.316) 12.982 4.343 ( -2.645 -7.453 -2.926) 8.432 4.565 ( -6.117 -4.237 3.693) 8.308 4.865 ( -2.792 -5.195 1.313) 6.042 5.140 ( 6.272 -2.705 -15.743) 17.161 5.242 ( -2.751 -4.654 -0.806) 5.466 5.561 ( 0.956 -7.711 -0.131) 7.771 5.605 ( -5.789 -3.826 9.344) 11.639 5.815 ( -4.580 -14.601 -3.580) 15.716 5.976 ( -12.826 -4.597 -0.652) 13.640 6.464 ( -10.799 -3.544 -4.395) 12.186 6.753 ( -8.444 -3.555 1.603) 9.301 6.894 ( -3.486 -2.926 -1.176) 4.701 7.007 ( -5.797 -4.967 2.502) 8.034 7.227 ( 1.245 3.382 -4.858) 6.049 7.346 ( -6.462 2.692 -2.618) 7.474 7.997 ( 5.948 1.004 12.143) 13.558 8.160 ( 18.133 18.490 -4.786) 26.336 16.549 ( -0.962 -4.988 1.067) 5.191 16.653 ( -0.224 -5.597 -1.509) 5.801 17.127 ( -4.093 3.845 -0.815) 5.675 17.357 ( -7.363 0.294 -2.217) 7.695 22.585 ( 0.125 -0.014 0.014) 0.127 22.758 ( 0.027 0.678 1.170) 1.353 26.505 ( 0.831 1.257 -0.573) 1.612 26.627 ( 1.925 1.999 -0.959) 2.936 36.089 ( 5.583 -3.458 -2.629) 7.074 36.481 ( -1.245 -9.367 2.508) 9.777 36.622 ( -10.643 1.624 6.896) 12.785 37.860 ( 1.638 7.513 -14.903) 16.770 ======================= Grid point 374 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -7.850 -6.457 13.915) 17.232 2.329 ( -11.758 -6.677 4.426) 14.227 2.539 ( -2.080 -2.743 -7.166) 7.950 2.602 ( -5.144 -3.700 -1.044) 6.422 3.183 ( -3.996 -1.731 -4.646) 6.368 3.564 ( -0.615 2.229 6.405) 6.809 3.855 ( 1.182 2.908 14.712) 15.044 4.382 ( -8.972 -5.849 -8.631) 13.755 4.628 ( 1.336 -3.558 6.815) 7.804 4.932 ( -2.577 -3.777 2.831) 5.378 5.235 ( 3.847 -4.362 -12.058) 13.387 5.246 ( -4.144 -3.433 -2.396) 5.890 5.585 ( -2.525 -0.966 -0.251) 2.715 5.665 ( -3.675 -3.329 4.829) 6.921 5.851 ( -7.616 -2.265 -3.485) 8.676 6.141 ( -11.957 -19.373 -1.177) 22.797 6.454 ( 0.421 -2.336 -3.103) 3.907 6.721 ( -8.528 -2.465 1.811) 9.060 6.926 ( -4.394 -4.669 -0.666) 6.446 7.112 ( -5.208 -2.574 0.782) 5.861 7.174 ( -1.246 -6.373 -1.220) 6.607 7.262 ( -1.139 -1.181 -3.836) 4.172 7.877 ( 3.142 16.291 6.917) 17.975 8.168 ( 20.782 6.467 -0.159) 21.765 16.620 ( -0.554 -3.495 0.547) 3.581 16.734 ( -0.429 -3.342 -1.126) 3.552 17.036 ( -3.893 0.681 0.855) 4.043 17.303 ( -5.345 -2.145 -3.348) 6.662 22.589 ( 0.385 -0.032 0.113) 0.402 22.746 ( -0.161 0.703 0.914) 1.165 26.490 ( 0.812 1.243 -0.355) 1.526 26.601 ( 0.995 2.241 -0.981) 2.641 36.190 ( 5.245 -2.023 -3.132) 6.435 36.427 ( -9.499 4.949 4.497) 11.617 36.692 ( -2.047 -10.215 7.903) 13.076 37.749 ( 1.438 3.312 -16.110) 16.510 ======================= Grid point 382 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -9.442 -0.000 14.039) 16.919 2.111 ( -16.957 -0.000 5.311) 17.769 2.332 ( -7.335 -0.000 -10.474) 12.787 2.491 ( -10.747 -0.000 -1.336) 10.830 3.337 ( -15.637 -0.000 -1.032) 15.671 3.736 ( -2.288 -0.000 5.649) 6.095 4.040 ( 3.906 0.000 -2.288) 4.527 4.122 ( -2.815 -0.000 16.090) 16.334 4.425 ( -10.173 -0.000 -2.356) 10.443 4.753 ( -0.207 -0.000 -0.983) 1.005 5.055 ( 1.170 0.000 4.288) 4.445 5.164 ( 7.819 0.000 -19.231) 20.760 5.170 ( 4.927 0.000 3.151) 5.848 5.535 ( -2.434 -0.000 2.109) 3.220 5.613 ( -9.873 -0.000 6.233) 11.675 5.952 ( -10.309 -0.000 -1.491) 10.416 6.374 ( -17.031 -0.000 -4.566) 17.632 6.667 ( -12.569 -0.000 1.875) 12.708 6.848 ( -12.971 -0.000 0.473) 12.980 6.938 ( -1.676 -0.000 -0.847) 1.878 7.337 ( -4.149 -0.000 -2.155) 4.676 7.371 ( 3.619 0.000 -6.873) 7.768 8.010 ( 1.450 0.000 15.592) 15.659 8.554 ( 19.596 0.000 -7.214) 20.882 16.425 ( -1.226 -0.000 1.133) 1.670 16.529 ( -0.427 -0.000 -0.748) 0.861 17.207 ( -4.982 -0.000 -2.752) 5.692 17.386 ( -9.176 -0.000 -1.608) 9.316 22.586 ( 0.255 0.000 0.103) 0.275 22.773 ( 0.159 0.000 1.536) 1.544 26.534 ( 1.229 0.000 -0.688) 1.409 26.668 ( 2.159 0.000 -1.013) 2.385 35.991 ( 6.077 0.000 -0.677) 6.115 36.269 ( -0.717 -0.000 0.996) 1.227 36.658 ( -10.351 -0.000 3.201) 10.835 38.047 ( -1.314 -0.000 -15.414) 15.470 ======================= Grid point 383 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -11.296 -3.797 13.225) 17.803 2.030 ( -15.900 -7.673 8.901) 19.771 2.311 ( -6.711 -7.743 -10.860) 14.931 2.403 ( -10.673 -3.997 -2.483) 11.664 3.145 ( -17.269 0.549 0.399) 17.283 3.673 ( -4.604 3.006 4.201) 6.920 4.002 ( 1.754 3.961 4.646) 6.352 4.157 ( -7.623 -4.279 -1.943) 8.955 4.431 ( -1.757 -6.646 7.453) 10.139 4.773 ( -0.670 -2.374 1.334) 2.805 5.112 ( -0.666 -2.875 0.575) 3.007 5.184 ( 4.738 -0.869 -11.829) 12.772 5.346 ( -1.390 -11.618 1.734) 11.829 5.518 ( -2.447 -2.182 5.491) 6.395 5.599 ( -3.729 -5.357 0.003) 6.527 5.834 ( -10.173 0.638 -3.133) 10.664 6.257 ( -9.595 -4.671 -5.282) 11.907 6.570 ( -12.719 -4.247 1.947) 13.550 6.746 ( -12.899 -4.468 0.356) 13.656 6.914 ( -2.748 -0.268 -0.965) 2.924 7.265 ( -5.535 3.385 -1.440) 6.646 7.330 ( -3.959 1.457 -3.467) 5.460 8.096 ( 8.577 -0.167 13.639) 16.113 8.637 ( 20.060 11.922 -6.955) 24.350 16.455 ( -0.974 -4.234 0.631) 4.390 16.558 ( -0.395 -3.717 -0.624) 3.790 17.133 ( -5.012 2.056 -1.986) 5.770 17.266 ( -10.596 0.667 -2.162) 10.834 22.592 ( 0.923 0.121 0.355) 0.997 22.772 ( -0.040 0.497 1.629) 1.704 26.539 ( 1.702 1.060 -0.570) 2.084 26.672 ( 1.213 1.264 -1.126) 2.083 36.084 ( 6.140 -3.071 -2.564) 7.329 36.327 ( -0.513 -6.534 3.047) 7.228 36.547 ( -10.063 1.075 3.524) 10.716 37.929 ( -5.558 4.785 -18.686) 20.074 ======================= Grid point 384 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -10.296 -7.414 12.547) 17.844 2.042 ( -13.345 -8.687 12.024) 19.952 2.398 ( -3.738 -8.723 -10.921) 14.468 2.424 ( -6.109 -8.395 -3.544) 10.971 3.014 ( -13.973 -5.030 0.143) 14.851 3.580 ( -5.368 1.639 3.937) 6.856 3.972 ( 3.466 4.201 11.832) 13.025 4.142 ( -11.314 -6.915 -7.297) 15.135 4.560 ( 0.579 -5.833 4.980) 7.691 4.836 ( -0.797 -4.443 5.800) 7.349 5.109 ( -5.902 -2.659 -0.540) 6.496 5.223 ( 3.098 -1.507 -11.714) 12.210 5.498 ( -3.175 -5.936 1.368) 6.870 5.597 ( -0.286 -3.971 2.160) 4.530 5.688 ( -10.693 -12.101 1.191) 16.192 5.744 ( -3.754 -2.368 -6.409) 7.796 6.329 ( -1.640 -8.954 -2.831) 9.533 6.570 ( -8.086 -6.954 0.094) 10.665 6.750 ( -8.103 -7.686 0.267) 11.172 6.917 ( -4.909 -5.240 0.857) 7.231 7.093 ( -10.686 2.327 0.463) 10.946 7.291 ( 0.857 1.121 -4.005) 4.246 8.147 ( 4.970 8.150 12.031) 15.358 8.593 ( 22.605 13.533 -6.278) 27.084 16.541 ( 0.056 -5.194 0.334) 5.205 16.642 ( -0.438 -5.638 -1.079) 5.758 17.019 ( -6.191 3.022 0.507) 6.907 17.178 ( -8.102 -2.692 -3.450) 9.208 22.601 ( 1.355 0.359 0.475) 1.480 22.760 ( -0.362 0.831 1.345) 1.622 26.530 ( 1.651 1.760 -0.410) 2.447 26.647 ( 0.295 2.117 -1.121) 2.414 36.196 ( 5.208 -2.789 -3.388) 6.810 36.412 ( -7.368 2.698 3.112) 8.442 36.494 ( -1.920 -10.157 6.563) 12.244 37.751 ( -6.744 2.541 -19.609) 20.892 ======================= Grid point 393 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -21.896 -0.000 8.635) 23.537 1.929 ( -9.182 -0.000 18.253) 20.432 2.117 ( -8.258 -0.000 -14.734) 16.890 2.235 ( -12.583 -0.000 -1.101) 12.631 2.946 ( -20.973 -0.000 5.035) 21.569 3.635 ( -8.183 -0.000 0.991) 8.243 3.937 ( -9.167 -0.000 -17.130) 19.429 4.168 ( 1.966 0.000 15.874) 15.996 4.362 ( 1.790 0.000 7.758) 7.962 4.768 ( 1.758 0.000 2.087) 2.729 5.085 ( -1.194 -0.000 5.054) 5.194 5.210 ( 0.614 0.000 -8.465) 8.487 5.211 ( -2.102 -0.000 2.721) 3.438 5.475 ( -1.728 -0.000 -1.805) 2.498 5.534 ( 1.842 0.000 1.783) 2.564 5.743 ( -7.753 -0.000 -4.496) 8.962 6.124 ( -4.605 -0.000 -5.709) 7.335 6.384 ( -13.858 -0.000 2.382) 14.061 6.542 ( -15.364 -0.000 0.228) 15.365 6.884 ( -3.048 -0.000 -1.611) 3.447 7.227 ( -14.211 -0.000 0.300) 14.214 7.272 ( -1.648 -0.000 -1.699) 2.367 8.232 ( 12.566 0.000 12.455) 17.693 8.942 ( 19.236 0.000 -8.470) 21.018 16.400 ( -1.349 -0.000 0.241) 1.371 16.521 ( -0.211 -0.000 0.098) 0.233 17.092 ( -4.981 -0.000 -2.356) 5.510 17.151 ( -12.032 -0.000 -2.038) 12.203 22.610 ( 2.167 0.000 0.589) 2.246 22.778 ( -0.296 -0.000 1.923) 1.946 26.570 ( 2.202 0.000 -0.374) 2.233 26.690 ( 0.357 0.000 -1.091) 1.148 36.109 ( 5.317 0.000 -3.962) 6.631 36.269 ( 0.108 0.000 4.449) 4.450 36.465 ( -8.167 -0.000 2.227) 8.465 37.833 ( -13.975 -0.000 -21.879) 25.961 ======================= Grid point 394 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -19.902 -12.527 9.845) 25.494 1.891 ( -9.969 -4.470 19.055) 21.964 2.119 ( -7.907 -10.243 -13.696) 18.842 2.191 ( -6.331 -8.863 -3.160) 11.341 2.770 ( -17.370 -2.744 7.292) 19.037 3.526 ( -9.683 0.995 -0.529) 9.748 3.862 ( -10.572 -6.324 -14.049) 18.685 4.151 ( 4.133 6.250 15.530) 17.243 4.471 ( 1.382 -5.572 4.257) 7.146 4.804 ( 2.356 -1.112 5.499) 6.085 5.033 ( -6.332 0.889 3.338) 7.213 5.200 ( 0.414 -1.546 -6.320) 6.520 5.293 ( -3.344 -8.821 1.691) 9.584 5.498 ( 0.568 -1.632 -3.772) 4.149 5.592 ( 1.259 -1.855 2.468) 3.334 5.672 ( -2.696 -0.924 -7.624) 8.139 6.161 ( 0.440 -6.919 -3.915) 7.962 6.326 ( -9.796 -7.569 1.518) 12.472 6.483 ( -10.551 -9.788 0.424) 14.398 6.844 ( -3.637 -0.120 -1.571) 3.964 7.018 ( -15.578 3.920 1.770) 16.161 7.277 ( -0.904 -1.536 -2.223) 2.849 8.354 ( 10.419 3.904 11.748) 16.181 9.016 ( 17.251 10.002 -8.645) 21.734 16.439 ( -0.640 -5.241 -0.325) 5.290 16.551 ( -0.202 -3.371 0.079) 3.378 16.999 ( -9.109 2.518 -0.119) 9.451 17.050 ( -6.368 -1.473 -2.939) 7.167 22.634 ( 2.989 0.691 0.567) 3.119 22.771 ( -0.649 0.606 1.782) 1.991 26.580 ( 2.110 1.394 -0.206) 2.537 26.676 ( -0.362 1.339 -0.939) 1.675 36.181 ( 3.520 -3.365 -4.138) 6.390 36.342 ( 0.034 -5.774 5.527) 7.993 36.387 ( -4.497 1.010 2.265) 5.136 37.606 ( -18.772 -0.160 -21.608) 28.624 ======================= Grid point 404 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -21.689 -0.000 12.195) 24.882 1.706 ( -19.394 -0.000 18.031) 26.481 1.924 ( -3.862 -0.000 -17.417) 17.840 2.047 ( -3.087 -0.000 1.266) 3.337 2.616 ( -10.796 -0.000 13.053) 16.939 3.420 ( -11.309 -0.000 -3.426) 11.816 3.661 ( -10.911 -0.000 -12.559) 16.636 4.305 ( 4.743 0.000 14.387) 15.148 4.434 ( 2.462 0.000 2.314) 3.379 4.841 ( 3.334 0.000 5.192) 6.170 4.985 ( -7.568 -0.000 6.851) 10.208 5.143 ( -3.454 -0.000 0.333) 3.470 5.222 ( 3.229 0.000 -10.523) 11.007 5.549 ( 7.861 0.000 1.973) 8.104 5.588 ( 1.835 0.000 1.784) 2.560 5.624 ( -1.123 -0.000 -10.162) 10.224 6.114 ( 4.556 0.000 -5.256) 6.956 6.160 ( -7.195 -0.000 2.214) 7.528 6.255 ( -11.275 -0.000 0.654) 11.294 6.785 ( -8.186 -0.000 1.483) 8.319 6.908 ( -11.280 -0.000 -2.396) 11.531 7.247 ( -0.396 -0.000 -1.642) 1.689 8.528 ( 10.463 0.000 11.876) 15.828 9.237 ( 10.277 0.000 -10.031) 14.361 16.375 ( -0.907 -0.000 -0.216) 0.932 16.521 ( 0.045 0.000 0.433) 0.435 16.911 ( -9.109 -0.000 -0.788) 9.144 16.992 ( -3.863 -0.000 -1.303) 4.076 22.682 ( 4.209 0.000 0.016) 4.209 22.772 ( -0.746 -0.000 1.861) 2.005 26.615 ( 1.971 0.000 0.055) 1.971 26.682 ( -0.610 -0.000 -0.630) 0.877 36.153 ( 0.065 0.000 -3.151) 3.151 36.322 ( 3.334 0.000 3.708) 4.987 36.367 ( -1.303 -0.000 2.479) 2.800 37.305 ( -28.244 -0.000 -18.173) 33.586 ======================= Grid point 405 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.700 ( -0.000 -0.000 0.000) 0.000 1.990 ( 0.000 0.000 -0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.006 ( -0.000 -0.000 -0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.101 ( -0.000 0.000 0.000) 0.000 5.198 ( -0.000 -0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.627 ( -0.000 -0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.119 ( -0.000 -0.000 0.000) 0.000 6.129 ( -0.000 -0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.679 ( -0.000 -0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.222 ( -0.000 -0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.529 ( -0.000 -0.000 0.000) 0.000 16.813 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 22.727 ( 0.000 0.000 0.000) 0.000 22.791 ( 0.000 0.000 0.000) 0.000 26.649 ( 0.000 0.000 0.000) 0.000 26.660 ( -0.000 -0.000 0.000) 0.000 36.114 ( 0.000 0.000 0.000) 0.000 36.406 ( -0.000 -0.000 0.000) 0.000 36.509 ( -0.000 -0.000 -0.000) 0.000 36.635 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 407 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.925 -22.927 3.310) 23.683 1.687 ( 8.722 -5.593 -0.189) 10.363 1.934 ( 1.705 -16.749 5.133) 17.600 2.084 ( 9.292 -6.196 -9.232) 14.490 2.873 ( -4.835 0.555 -9.749) 10.896 3.103 ( 10.838 -0.196 13.195) 17.076 3.498 ( 1.852 -10.686 3.927) 11.535 4.458 ( -0.507 1.439 -2.286) 2.748 4.556 ( -1.193 0.139 -1.800) 2.164 4.890 ( -3.651 1.737 9.608) 10.425 4.979 ( -2.480 -3.613 -2.307) 4.952 5.150 ( -0.194 -0.265 -0.360) 0.487 5.259 ( 8.294 -4.045 -6.786) 11.454 5.403 ( 2.187 -3.444 0.962) 4.191 5.553 ( 0.237 3.564 -0.829) 3.667 5.714 ( -1.789 1.323 -2.262) 3.173 6.136 ( 2.051 -5.474 -0.611) 5.878 6.209 ( 2.254 -8.157 0.358) 8.470 6.384 ( -2.996 -17.115 1.549) 17.445 6.744 ( 4.730 -0.610 -0.915) 4.856 6.764 ( 11.614 1.340 -2.473) 11.950 7.237 ( 0.174 -1.182 0.115) 1.200 8.760 ( -4.360 9.663 -4.102) 11.367 9.061 ( -6.012 4.032 3.987) 8.264 16.414 ( 0.346 -5.367 0.234) 5.383 16.558 ( -0.056 -3.216 -0.207) 3.223 16.838 ( 4.618 -0.051 -0.378) 4.633 16.940 ( 1.093 -0.169 0.993) 1.487 22.700 ( -2.397 1.146 0.311) 2.675 22.789 ( 1.481 1.165 -1.295) 2.286 26.621 ( -1.625 1.813 -0.143) 2.439 26.649 ( 0.569 1.627 0.424) 1.775 36.160 ( -1.798 -4.846 1.668) 5.431 36.381 ( 0.583 2.305 -1.914) 3.052 36.505 ( -5.383 -6.914 -2.811) 9.202 36.819 ( 14.494 -5.913 9.494) 18.308 ======================= Grid point 408 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 11.259 -10.953 -7.117) 17.245 2.008 ( 5.542 -18.599 10.187) 21.919 2.208 ( 2.426 -11.064 6.322) 12.972 2.320 ( 3.869 -9.898 -12.704) 16.562 2.870 ( 0.729 -4.537 -3.709) 5.906 3.283 ( 13.411 -2.823 11.823) 18.100 3.746 ( 1.715 -12.008 6.190) 13.617 4.393 ( -0.509 2.927 -9.532) 9.984 4.601 ( 1.198 -5.613 -1.128) 5.850 4.867 ( -4.431 -1.620 14.599) 15.343 5.022 ( -0.985 -3.840 -5.750) 6.984 5.127 ( -0.474 0.661 -2.010) 2.169 5.402 ( 6.794 -2.892 0.636) 7.411 5.519 ( 1.109 -5.703 4.347) 7.256 5.623 ( 7.734 -6.634 -8.130) 13.035 5.688 ( 2.100 -0.612 -4.831) 5.303 6.291 ( 0.630 -9.410 -0.175) 9.432 6.433 ( 4.859 -10.181 0.190) 11.283 6.617 ( 1.600 -8.807 1.652) 9.102 6.809 ( 7.085 -3.104 -1.544) 7.888 6.923 ( 8.288 -5.482 -1.174) 10.006 7.243 ( -1.672 0.697 1.937) 2.652 8.477 ( -3.520 15.720 -4.848) 16.823 8.863 ( -12.758 7.008 1.359) 14.620 16.536 ( -0.468 -7.138 0.753) 7.193 16.633 ( -0.248 -4.927 -0.347) 4.945 16.901 ( 6.699 0.152 -0.950) 6.768 16.982 ( 3.474 -2.472 1.854) 4.649 22.652 ( -2.148 1.182 -0.277) 2.467 22.775 ( 1.136 1.610 -0.988) 2.205 26.562 ( -1.951 2.317 0.172) 3.033 26.620 ( 0.491 2.260 0.645) 2.401 36.211 ( -3.953 -3.316 3.012) 5.975 36.354 ( 4.624 3.300 -2.561) 6.231 36.644 ( -1.724 -12.539 -5.674) 13.870 37.099 ( 10.901 -6.837 13.760) 18.839 ======================= Grid point 409 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 10.510 -7.326 -3.785) 13.359 2.338 ( 0.448 -12.272 6.524) 13.906 2.427 ( 4.123 -8.346 4.176) 10.203 2.442 ( -2.005 -6.500 -10.909) 12.856 2.989 ( 3.223 -4.583 2.616) 6.183 3.482 ( 10.754 -1.979 7.345) 13.172 3.927 ( -1.404 -5.916 8.712) 10.624 4.349 ( 3.424 0.757 -14.665) 15.078 4.729 ( -1.233 -6.258 1.107) 6.474 4.905 ( -2.736 -3.548 8.936) 9.996 5.063 ( 4.554 0.835 -6.414) 7.910 5.181 ( -1.768 -10.264 1.373) 10.505 5.501 ( 4.105 -1.405 1.017) 4.457 5.645 ( 1.625 -4.802 2.995) 5.888 5.701 ( 5.635 -1.935 -1.071) 6.053 5.931 ( 11.242 -12.589 -8.111) 18.726 6.459 ( -2.623 -8.287 1.270) 8.784 6.583 ( 8.014 -2.272 -1.847) 8.532 6.826 ( 3.877 -9.516 0.716) 10.300 6.946 ( 11.576 -0.298 -2.711) 11.893 7.147 ( -0.777 -14.754 3.737) 15.240 7.174 ( -3.030 3.863 3.453) 6.002 8.117 ( -4.238 18.426 -4.436) 19.420 8.575 ( -14.348 8.554 -2.857) 16.947 16.631 ( -1.784 -4.322 0.543) 4.707 16.716 ( -0.173 -4.087 0.066) 4.091 16.966 ( 5.020 -1.307 -0.963) 5.276 17.110 ( 6.082 -4.761 1.790) 7.929 22.617 ( -1.288 0.706 -0.484) 1.547 22.756 ( 0.675 1.268 -0.482) 1.515 26.507 ( -1.501 1.633 0.212) 2.228 26.584 ( 0.193 2.175 0.849) 2.343 36.216 ( -3.774 -1.607 2.747) 4.937 36.346 ( 5.804 3.357 -2.205) 7.058 36.853 ( 0.196 -11.658 -7.020) 13.610 37.312 ( 5.090 -4.704 13.231) 14.936 ======================= Grid point 410 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.991 -4.568 0.177) 7.536 2.488 ( -1.660 -4.735 0.518) 5.044 2.505 ( -1.381 -4.385 -6.080) 7.623 2.589 ( 2.931 -4.142 2.090) 5.487 3.090 ( 2.287 -2.797 5.242) 6.366 3.571 ( 3.634 1.082 1.060) 3.937 3.991 ( -0.669 -1.938 7.884) 8.146 4.376 ( 4.147 -1.065 -11.690) 12.450 4.788 ( -4.159 -3.575 6.881) 8.800 4.913 ( -0.371 1.295 -2.750) 3.062 5.082 ( 2.366 0.100 -1.742) 2.940 5.399 ( -0.341 -10.398 0.736) 10.430 5.546 ( 1.896 -0.508 0.304) 1.987 5.779 ( 4.217 -7.239 -0.706) 8.407 5.798 ( 5.345 -1.078 -0.102) 5.453 6.227 ( 9.554 -6.689 -0.835) 11.692 6.522 ( -5.188 -5.151 1.565) 7.476 6.772 ( 12.060 -6.014 -4.473) 14.199 6.934 ( -1.052 1.805 3.217) 3.836 6.990 ( -2.560 -0.608 3.336) 4.249 7.151 ( 5.712 -1.188 -0.754) 5.882 7.430 ( 3.322 -12.478 0.800) 12.937 7.750 ( -7.067 12.774 -1.712) 14.698 8.256 ( -11.140 10.861 -4.328) 16.149 16.667 ( -1.282 -1.754 0.311) 2.194 16.763 ( -0.141 -1.467 0.006) 1.474 17.044 ( 2.819 -2.198 -0.526) 3.613 17.248 ( 4.112 -3.553 1.103) 5.545 22.598 ( -0.556 0.285 -0.313) 0.698 22.744 ( 0.317 0.640 -0.173) 0.735 26.475 ( -0.739 0.689 0.073) 1.013 26.552 ( -0.041 1.419 0.648) 1.560 36.209 ( -2.144 -0.707 1.582) 2.757 36.344 ( 3.866 2.144 -1.290) 4.605 37.015 ( 0.555 -6.597 -4.991) 8.291 37.423 ( 1.333 -2.130 8.180) 8.558 ======================= Grid point 411 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -0.000 0.000) 0.000 2.498 ( 0.000 0.000 -0.000) 0.000 2.539 ( -0.000 -0.000 0.000) 0.000 2.640 ( -0.000 0.000 0.000) 0.000 3.139 ( -0.000 0.000 0.000) 0.000 3.568 ( -0.000 0.000 0.000) 0.000 4.015 ( -0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 -0.000) 0.000 4.884 ( -0.000 -0.000 0.000) 0.000 5.094 ( -0.000 0.000 0.000) 0.000 5.482 ( -0.000 0.000 0.000) 0.000 5.568 ( -0.000 -0.000 0.000) 0.000 5.831 ( -0.000 0.000 0.000) 0.000 5.903 ( -0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.543 ( -0.000 -0.000 0.000) 0.000 6.858 ( -0.000 0.000 0.000) 0.000 6.941 ( -0.000 0.000 -0.000) 0.000 7.001 ( 0.000 0.000 -0.000) 0.000 7.204 ( -0.000 0.000 0.000) 0.000 7.476 ( -0.000 0.000 0.000) 0.000 7.704 ( -0.000 0.000 0.000) 0.000 8.029 ( 0.000 -0.000 0.000) 0.000 16.676 ( -0.000 0.000 0.000) 0.000 16.775 ( -0.000 0.000 0.000) 0.000 17.081 ( -0.000 0.000 0.000) 0.000 17.305 ( -0.000 0.000 0.000) 0.000 22.592 ( -0.000 0.000 0.000) 0.000 22.739 ( -0.000 0.000 0.000) 0.000 26.465 ( -0.000 0.000 0.000) 0.000 26.539 ( -0.000 0.000 0.000) 0.000 36.205 ( 0.000 0.000 -0.000) 0.000 36.344 ( -0.000 0.000 0.000) 0.000 37.074 ( -0.000 0.000 -0.000) 0.000 37.455 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 418 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 11.757 0.000 11.445) 16.408 1.727 ( 11.228 0.000 -6.240) 12.845 1.865 ( 11.845 0.000 6.233) 13.385 2.135 ( 12.996 0.000 -12.805) 18.245 2.843 ( 0.214 0.000 -7.204) 7.208 3.252 ( 12.666 0.000 13.213) 18.304 3.434 ( 4.042 0.000 9.049) 9.911 4.468 ( 0.040 0.000 -1.510) 1.510 4.525 ( -3.248 -0.000 -5.626) 6.497 4.886 ( -4.676 -0.000 0.672) 4.724 4.891 ( -5.842 -0.000 14.714) 15.832 5.193 ( 6.667 0.000 -3.859) 7.704 5.279 ( 8.775 0.000 -15.806) 18.078 5.428 ( 4.755 0.000 5.439) 7.224 5.606 ( -2.065 -0.000 0.099) 2.068 5.644 ( -6.149 -0.000 -4.827) 7.817 6.062 ( -2.655 -0.000 0.443) 2.692 6.182 ( 7.755 0.000 -0.073) 7.755 6.276 ( 10.704 0.000 -0.909) 10.742 6.776 ( 2.895 0.000 0.306) 2.911 6.946 ( 18.707 0.000 -4.794) 19.311 7.230 ( 0.833 0.000 -0.208) 0.859 8.749 ( -9.855 -0.000 -8.586) 13.071 9.037 ( -9.814 -0.000 8.604) 13.052 16.372 ( 0.997 0.000 0.100) 1.002 16.529 ( 0.036 0.000 -0.309) 0.311 16.906 ( 8.269 0.000 -0.269) 8.273 16.960 ( 2.405 0.000 1.814) 3.012 22.679 ( -3.187 -0.000 0.175) 3.192 22.814 ( 1.350 0.000 -2.145) 2.534 26.617 ( -2.369 -0.000 -0.102) 2.371 26.669 ( 0.164 0.000 0.625) 0.647 36.087 ( -2.980 -0.000 2.997) 4.226 36.396 ( -0.426 -0.000 -3.144) 3.172 36.401 ( -0.426 -0.000 -0.668) 0.792 36.983 ( 19.414 0.000 13.676) 23.747 ======================= Grid point 419 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 11.337 -16.718 10.324) 22.685 1.944 ( 14.322 -8.094 -4.919) 17.171 2.075 ( 9.569 -7.854 5.941) 13.731 2.256 ( 7.470 -2.939 -14.815) 16.850 2.870 ( 8.062 0.200 -1.591) 8.220 3.414 ( 13.543 -0.624 10.694) 17.267 3.595 ( 4.592 -9.080 11.351) 15.244 4.416 ( -0.754 2.827 -9.249) 9.700 4.536 ( 0.483 -3.409 -2.589) 4.308 4.833 ( -5.793 0.554 16.145) 17.162 4.891 ( -4.079 -4.038 0.289) 5.747 5.220 ( 5.575 4.281 -8.307) 10.882 5.372 ( 3.331 -6.306 -5.795) 9.189 5.489 ( 4.839 -0.547 3.614) 6.064 5.608 ( 7.567 -3.170 -4.486) 9.351 5.668 ( -0.413 -3.647 -5.245) 6.401 6.112 ( -1.799 -7.140 0.998) 7.430 6.350 ( 10.911 -6.825 -0.856) 12.898 6.486 ( 10.594 -8.836 0.264) 13.798 6.809 ( 3.560 -0.366 0.872) 3.684 7.084 ( 14.279 3.493 -4.068) 15.252 7.245 ( 0.360 0.056 0.805) 0.884 8.589 ( -8.172 4.469 -10.139) 13.768 8.850 ( -15.312 7.602 6.747) 18.379 16.430 ( 1.037 -4.733 0.437) 4.865 16.557 ( 0.044 -3.079 -0.441) 3.111 16.991 ( 3.289 0.290 2.192) 3.963 17.006 ( 10.436 0.009 -0.069) 10.436 22.642 ( -2.542 0.544 -0.342) 2.622 22.809 ( 0.689 1.161 -1.856) 2.295 26.575 ( -2.570 1.535 0.262) 3.005 26.657 ( -0.084 1.391 0.834) 1.624 36.101 ( -4.375 -4.141 3.493) 6.964 36.413 ( 0.739 -1.061 -0.462) 1.373 36.460 ( 4.488 -5.757 -5.532) 9.159 37.209 ( 15.916 -0.345 17.100) 23.363 ======================= Grid point 420 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 7.719 -13.964 5.942) 17.026 2.210 ( 9.701 -6.098 -1.501) 11.556 2.308 ( 4.864 -6.897 -0.451) 8.451 2.370 ( 7.563 -6.204 -6.379) 11.678 2.983 ( 8.132 -1.706 3.324) 8.950 3.570 ( 9.290 -0.744 5.150) 10.648 3.826 ( 3.066 -8.125 12.459) 15.187 4.366 ( 2.476 0.968 -14.699) 14.937 4.630 ( 1.491 -5.205 -1.131) 5.531 4.820 ( -4.968 -3.095 16.885) 17.871 4.964 ( -1.054 -7.809 -3.829) 8.760 5.186 ( 5.276 3.282 -5.524) 8.314 5.534 ( 5.619 -1.939 -0.040) 5.944 5.582 ( 3.110 -6.856 4.194) 8.618 5.708 ( 4.060 -3.544 -3.570) 6.465 5.833 ( 12.032 -8.414 -10.592) 18.105 6.264 ( -1.556 -9.891 2.924) 10.430 6.593 ( 10.352 -6.475 -2.306) 12.426 6.739 ( 8.068 -6.880 0.865) 10.638 6.920 ( 3.827 -8.942 1.563) 9.851 7.115 ( 7.376 5.307 -1.406) 9.195 7.218 ( 0.110 2.192 2.353) 3.217 8.358 ( -6.742 14.111 -4.238) 16.203 8.525 ( -17.153 6.379 -3.567) 18.645 16.537 ( 0.502 -5.392 0.655) 5.455 16.633 ( 0.225 -4.961 -0.230) 4.971 17.019 ( 4.285 1.060 0.761) 4.480 17.127 ( 9.266 -1.736 1.185) 9.502 22.611 ( -1.463 0.434 -0.563) 1.627 22.786 ( 0.280 1.476 -1.143) 1.888 26.520 ( -1.943 1.692 0.500) 2.624 26.624 ( -0.454 2.086 1.025) 2.368 36.126 ( -4.981 -3.165 3.158) 6.693 36.453 ( 4.202 -0.377 -0.652) 4.269 36.652 ( 5.351 -10.041 -8.487) 14.195 37.362 ( 7.949 0.670 17.592) 19.316 ======================= Grid point 421 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 0.242 -5.628 2.665) 6.231 2.381 ( 7.177 -5.926 -1.480) 9.424 2.465 ( 6.544 -3.987 -2.490) 8.058 2.574 ( 8.688 -5.224 0.675) 10.160 3.074 ( 2.402 -1.289 5.990) 6.581 3.622 ( 1.529 1.768 0.304) 2.357 3.968 ( 1.655 -3.159 8.852) 9.543 4.378 ( 3.498 -0.737 -11.525) 12.067 4.694 ( -3.676 -3.053 8.039) 9.352 4.885 ( -0.322 -3.502 -0.549) 3.559 5.135 ( 3.636 -6.131 -7.173) 10.113 5.211 ( 4.725 -3.719 2.549) 6.531 5.583 ( 3.354 1.028 0.565) 3.553 5.721 ( 4.975 -5.160 1.371) 7.298 5.865 ( 9.646 -3.140 -3.302) 10.669 6.141 ( 9.213 -12.895 -1.990) 15.973 6.378 ( -3.118 -4.592 3.033) 6.325 6.791 ( 10.370 -4.686 -4.728) 12.322 6.912 ( 3.818 -4.968 0.468) 6.284 7.024 ( -1.912 3.704 7.714) 8.768 7.177 ( 0.781 -8.042 -0.286) 8.085 7.249 ( 9.489 -3.654 -1.953) 10.354 7.928 ( -13.823 17.868 1.011) 22.613 8.276 ( -10.395 6.177 -9.271) 15.237 16.623 ( 0.817 -3.242 0.411) 3.369 16.721 ( 0.449 -3.933 0.012) 3.959 17.048 ( 2.936 -0.024 -0.179) 2.941 17.250 ( 6.331 -2.019 1.565) 6.827 22.594 ( -0.606 0.144 -0.429) 0.756 22.762 ( 0.084 1.166 -0.581) 1.305 26.481 ( -0.971 0.980 0.437) 1.447 26.581 ( -0.802 1.982 0.903) 2.321 36.125 ( -5.059 -2.153 2.942) 6.236 36.498 ( 8.229 2.714 -2.094) 8.914 36.867 ( 3.842 -9.472 -8.490) 13.288 37.420 ( 0.207 0.246 14.634) 14.637 ======================= Grid point 422 (207/227) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 2.355 -4.268 3.403) 5.945 2.480 ( 1.571 -0.188 -1.052) 1.900 2.571 ( 5.657 -1.242 -1.152) 5.906 2.702 ( 7.871 1.241 0.313) 7.974 3.109 ( -2.219 -1.544 3.484) 4.410 3.570 ( -2.940 2.114 -0.755) 3.699 4.020 ( 1.349 -0.422 -0.619) 1.543 4.399 ( -0.389 -0.130 0.386) 0.564 4.730 ( -3.664 -4.177 8.752) 10.366 4.916 ( 2.480 -0.032 -9.170) 9.499 5.172 ( 6.449 3.518 -0.950) 7.407 5.390 ( -0.218 -8.113 -0.161) 8.117 5.579 ( 0.957 1.763 0.282) 2.026 5.872 ( 3.780 -3.546 -1.605) 5.426 5.966 ( 10.218 3.073 -1.502) 10.775 6.298 ( -2.789 0.440 5.065) 5.799 6.501 ( 3.381 -9.276 1.948) 10.064 6.888 ( -0.141 0.772 -2.530) 2.649 6.953 ( -0.211 4.625 2.187) 5.120 7.032 ( 7.169 -1.985 -1.561) 7.600 7.220 ( 0.602 0.791 0.236) 1.022 7.453 ( -6.162 -1.376 -0.387) 6.326 7.619 ( 1.184 -4.862 1.048) 5.113 8.048 ( -6.948 5.815 -5.467) 10.582 16.677 ( 2.002 -1.253 0.280) 2.378 16.774 ( 1.068 -1.223 -0.298) 1.650 17.071 ( -0.020 -0.434 -0.218) 0.486 17.316 ( 1.968 0.236 1.078) 2.257 22.590 ( -0.062 -0.111 -0.151) 0.198 22.745 ( -0.076 0.662 -0.260) 0.716 26.466 ( -0.110 0.182 0.303) 0.370 26.545 ( -0.839 1.038 0.382) 1.389 36.115 ( -5.264 -2.423 2.754) 6.416 36.508 ( 10.256 6.481 -3.406) 12.601 37.024 ( 1.809 -5.530 -4.591) 7.412 37.425 ( -3.902 -1.081 8.067) 9.026 ======================= Grid point 423 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -1.550 5.413 -1.483) 5.822 2.545 ( 3.953 -0.438 5.757) 6.997 2.613 ( 2.790 1.858 0.428) 3.379 2.704 ( 6.912 6.464 0.942) 9.511 3.080 ( -4.653 0.859 -3.256) 5.744 3.502 ( -6.601 -0.057 -1.906) 6.871 4.028 ( 3.691 1.006 -7.558) 8.471 4.366 ( -5.396 1.178 11.346) 12.618 4.798 ( -0.996 -4.259 3.685) 5.719 4.925 ( 4.141 0.787 -8.906) 9.853 5.155 ( 5.396 5.640 2.018) 8.062 5.465 ( -2.220 -1.510 -0.592) 2.749 5.545 ( -1.954 1.459 0.251) 2.452 5.875 ( 1.453 4.868 -4.268) 6.635 5.916 ( 3.919 11.094 2.239) 11.977 6.217 ( -6.356 3.692 4.951) 8.862 6.606 ( -3.374 1.690 0.524) 3.810 6.810 ( -5.058 8.615 0.470) 10.001 6.893 ( 5.614 -5.948 -5.861) 10.062 7.044 ( -0.380 4.108 -0.255) 4.134 7.176 ( -0.516 4.408 0.113) 4.439 7.445 ( -4.358 -5.147 4.072) 7.878 7.709 ( 0.951 2.073 -2.784) 3.599 8.118 ( 6.777 -14.971 1.215) 16.479 16.713 ( 3.301 0.461 0.104) 3.334 16.792 ( 1.623 0.628 -0.395) 1.785 17.048 ( -2.959 1.435 0.109) 3.291 17.279 ( -2.300 3.750 0.134) 4.401 22.596 ( 0.336 -0.404 0.126) 0.541 22.736 ( -0.281 0.133 -0.088) 0.323 26.471 ( 0.533 -0.431 0.270) 0.736 26.531 ( -0.665 -0.430 -0.307) 0.850 36.117 ( -5.294 -3.534 2.360) 6.789 36.470 ( 8.861 8.031 -3.620) 12.494 37.081 ( 0.326 0.105 1.794) 1.827 37.405 ( -4.238 -0.386 -0.917) 4.353 ======================= Grid point 424 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -3.981 9.180 0.599) 10.024 2.525 ( -0.427 6.112 -0.724) 6.170 2.545 ( 2.883 9.472 1.953) 10.091 2.643 ( 6.276 8.286 4.108) 11.177 3.009 ( -3.258 0.634 -1.528) 3.654 3.393 ( -10.281 2.092 -8.083) 13.245 4.034 ( 5.441 3.413 -7.923) 10.199 4.312 ( -6.008 -0.550 13.795) 15.056 4.841 ( 2.288 1.294 -3.584) 4.445 4.944 ( 1.846 0.100 -0.402) 1.892 5.081 ( 1.158 6.696 1.867) 7.047 5.378 ( -1.421 7.959 -1.074) 8.155 5.489 ( -3.641 1.742 -0.150) 4.039 5.720 ( -2.926 6.749 2.936) 7.920 5.778 ( 5.191 9.482 -7.977) 13.435 6.034 ( -9.111 9.248 8.039) 15.269 6.524 ( -6.419 -0.101 0.374) 6.431 6.605 ( -2.098 7.502 -0.526) 7.807 6.897 ( -3.730 6.226 1.558) 7.423 7.009 ( -1.542 10.918 -1.768) 11.167 7.132 ( 6.289 -5.612 -4.503) 9.556 7.356 ( -3.777 7.930 -0.765) 8.816 7.848 ( 1.831 -14.046 4.186) 14.770 8.495 ( 9.134 -14.817 1.236) 17.450 16.726 ( 4.087 2.646 -0.025) 4.869 16.784 ( 1.710 2.401 -0.309) 2.964 16.962 ( -4.904 3.225 0.522) 5.892 17.149 ( -4.576 5.954 -0.747) 7.546 22.613 ( 0.729 -0.870 0.300) 1.173 22.734 ( -0.523 -0.435 0.042) 0.682 26.494 ( 1.040 -1.204 0.186) 1.602 26.543 ( -0.643 -1.623 -0.646) 1.861 36.144 ( -4.448 -4.843 1.703) 6.793 36.402 ( 5.447 6.868 -2.809) 9.205 37.035 ( 0.611 6.183 5.986) 8.628 37.329 ( -4.259 3.562 -7.395) 9.248 ======================= Grid point 425 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -4.662 11.767 1.868) 12.795 2.303 ( -1.110 16.245 -1.963) 16.401 2.376 ( 0.029 10.684 -1.976) 10.866 2.531 ( 1.971 10.796 4.558) 11.883 2.983 ( 3.345 3.317 6.354) 7.910 3.195 ( -11.261 4.487 -11.738) 16.873 3.938 ( 0.955 10.076 -3.273) 10.637 4.340 ( -1.152 -4.212 6.656) 7.960 4.744 ( 0.349 10.180 0.213) 10.188 4.927 ( 1.613 2.916 -5.682) 6.588 5.010 ( -1.942 -0.333 3.299) 3.843 5.256 ( 5.121 6.173 0.416) 8.031 5.390 ( -6.012 3.505 -0.896) 7.016 5.621 ( 1.360 5.561 -5.279) 7.787 5.660 ( 0.281 4.625 -1.330) 4.821 5.763 ( -7.049 10.458 9.742) 15.937 6.430 ( -1.998 6.201 0.735) 6.556 6.526 ( -0.349 2.843 -1.577) 3.270 6.731 ( -6.157 5.692 0.851) 8.428 6.770 ( -1.999 9.505 0.840) 9.749 7.129 ( -0.657 12.656 -0.292) 12.677 7.252 ( 3.078 -0.290 -3.115) 4.389 8.178 ( 0.806 -19.173 2.872) 19.403 8.810 ( 6.232 -10.699 0.218) 12.383 16.680 ( 2.275 6.948 -0.371) 7.320 16.732 ( 1.223 4.866 0.090) 5.018 16.862 ( -4.296 1.811 0.637) 4.705 17.005 ( -2.881 4.290 -0.878) 5.242 22.645 ( 0.959 -1.520 0.221) 1.810 22.741 ( -0.669 -0.995 0.189) 1.214 26.537 ( 1.251 -2.149 0.069) 2.488 26.570 ( -0.780 -2.220 -0.462) 2.398 36.206 ( -2.134 -5.654 0.741) 6.088 36.332 ( 1.876 4.817 -1.284) 5.327 36.901 ( 1.992 11.053 5.743) 12.614 37.153 ( -4.958 9.060 -8.076) 13.110 ======================= Grid point 426 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -0.000 10.668 0.000) 10.668 1.931 ( -0.000 23.890 -0.000) 23.890 2.180 ( -0.000 9.881 0.000) 9.881 2.283 ( 0.000 18.070 -0.000) 18.070 2.967 ( -0.000 4.687 -0.000) 4.687 3.022 ( 0.000 1.617 0.000) 1.617 3.715 ( 0.000 13.583 0.000) 13.583 4.420 ( 0.000 -3.707 0.000) 3.707 4.593 ( 0.000 4.977 0.000) 4.977 4.892 ( 0.000 1.086 0.000) 1.086 5.019 ( 0.000 -0.418 0.000) 0.418 5.244 ( 0.000 4.904 -0.000) 4.904 5.244 ( -0.000 2.692 0.000) 2.692 5.510 ( -0.000 8.591 0.000) 8.591 5.537 ( 0.000 3.050 -0.000) 3.050 5.687 ( 0.000 -1.458 0.000) 1.458 6.265 ( 0.000 9.760 0.000) 9.760 6.382 ( 0.000 11.104 0.000) 11.104 6.665 ( -0.000 0.842 0.000) 0.842 6.667 ( 0.000 2.033 -0.000) 2.033 6.837 ( 0.000 16.701 0.000) 16.701 7.258 ( -0.000 0.869 0.000) 0.869 8.526 ( 0.000 -17.651 0.000) 17.651 9.000 ( 0.000 -6.698 0.000) 6.698 16.542 ( -0.000 8.367 0.000) 8.367 16.641 ( -0.000 5.501 0.000) 5.501 16.819 ( 0.000 0.576 0.000) 0.576 16.944 ( 0.000 1.299 0.000) 1.299 22.683 ( 0.000 -1.895 0.000) 1.895 22.758 ( 0.000 -1.330 0.000) 1.330 26.590 ( 0.000 -2.563 0.000) 2.563 26.606 ( -0.000 -2.370 0.000) 2.370 36.257 ( 0.000 4.563 -0.000) 4.563 36.302 ( -0.000 -5.531 0.000) 5.531 36.714 ( 0.000 11.274 0.000) 11.274 36.908 ( -0.000 12.212 0.000) 12.212 ======================= Grid point 430 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 15.487 0.000 13.948) 20.842 1.992 ( 15.191 0.000 -7.859) 17.103 2.156 ( 13.144 0.000 5.048) 14.080 2.267 ( 4.046 0.000 -13.643) 14.230 3.002 ( 14.001 0.000 -0.125) 14.001 3.565 ( 12.449 0.000 8.108) 14.856 3.589 ( 6.008 0.000 16.011) 17.101 4.458 ( 0.510 0.000 -11.274) 11.286 4.467 ( 0.899 0.000 -3.347) 3.465 4.807 ( -2.703 -0.000 -1.271) 2.987 4.815 ( -7.195 -0.000 19.567) 20.848 5.297 ( 3.569 0.000 -4.912) 6.072 5.302 ( -3.298 -0.000 -12.228) 12.665 5.554 ( -2.000 -0.000 -0.054) 2.001 5.555 ( 5.957 0.000 2.037) 6.296 5.695 ( 14.022 0.000 -5.633) 15.111 6.080 ( 5.499 0.000 -1.132) 5.615 6.419 ( 13.849 0.000 -0.967) 13.883 6.547 ( 14.648 0.000 -0.038) 14.648 6.848 ( 3.550 0.000 0.662) 3.611 7.237 ( 7.173 0.000 -0.241) 7.177 7.258 ( 2.017 0.000 -0.431) 2.062 8.506 ( -7.691 -0.000 -13.874) 15.863 8.777 ( -16.943 -0.000 7.585) 18.563 16.401 ( 1.672 0.000 0.130) 1.677 16.527 ( -0.027 -0.000 -0.470) 0.471 17.034 ( 4.369 0.000 2.990) 5.295 17.131 ( 11.616 0.000 0.161) 11.617 22.621 ( -2.060 -0.000 -0.521) 2.125 22.820 ( -0.006 -0.000 -2.027) 2.027 26.561 ( -2.710 -0.000 0.455) 2.748 26.668 ( -0.639 -0.000 1.002) 1.189 36.018 ( -4.617 -0.000 4.338) 6.335 36.368 ( -0.889 -0.000 -4.576) 4.662 36.502 ( 9.180 0.000 -1.363) 9.281 37.415 ( 15.063 0.000 18.543) 23.890 ======================= Grid point 431 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 12.088 -9.834 11.496) 19.364 2.197 ( 10.564 -5.300 -6.703) 13.588 2.297 ( 7.018 -4.083 -5.760) 9.955 2.349 ( 10.668 -3.585 0.059) 11.255 3.117 ( 12.043 2.933 3.070) 12.769 3.672 ( 7.479 1.140 4.800) 8.959 3.759 ( 6.181 -6.616 15.256) 17.740 4.400 ( 3.176 2.537 -13.502) 14.101 4.553 ( 2.101 -5.213 -3.893) 6.837 4.763 ( -6.856 -0.034 19.402) 20.578 4.833 ( -0.884 -5.030 -3.184) 6.018 5.244 ( -0.613 -0.199 -7.703) 7.730 5.402 ( 0.430 -10.005 -3.328) 10.552 5.596 ( 1.350 -3.640 0.663) 3.939 5.636 ( 4.527 -2.566 -0.612) 5.239 5.857 ( 13.700 -1.850 -6.460) 15.259 6.195 ( 11.374 -2.882 0.009) 11.733 6.605 ( 12.525 -4.336 -1.440) 13.332 6.746 ( 12.729 -4.275 0.354) 13.432 6.891 ( 4.075 -1.095 0.484) 4.248 7.228 ( -3.232 3.721 3.593) 6.099 7.277 ( 4.991 0.844 0.072) 5.062 8.404 ( -4.657 1.786 -15.663) 16.438 8.509 ( -18.231 10.127 5.453) 21.556 16.459 ( 1.550 -4.103 0.301) 4.396 16.556 ( 0.008 -3.242 -0.449) 3.273 17.082 ( 4.622 0.713 2.687) 5.394 17.239 ( 10.886 1.102 0.476) 10.952 22.601 ( -1.159 0.166 -0.579) 1.306 22.806 ( -0.361 0.872 -1.557) 1.821 26.526 ( -2.005 1.047 0.676) 2.361 26.648 ( -1.193 1.258 1.110) 2.058 36.014 ( -4.915 -3.603 3.647) 7.102 36.395 ( -0.797 -4.643 -2.601) 5.381 36.629 ( 11.066 -2.659 -4.776) 12.342 37.544 ( 9.690 4.111 18.080) 20.921 ======================= Grid point 432 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.962 -5.925 4.859) 8.626 2.355 ( 7.732 -5.808 -1.726) 9.823 2.481 ( 9.315 -4.003 -1.455) 10.242 2.555 ( 9.501 -7.193 -0.531) 11.928 3.157 ( 6.322 4.255 5.553) 9.429 3.683 ( 1.479 3.474 0.445) 3.802 3.934 ( 2.022 -4.572 10.482) 11.613 4.392 ( 3.850 0.489 -10.933) 11.601 4.631 ( -2.492 -1.931 6.247) 6.998 4.795 ( -0.633 -5.863 4.055) 7.157 4.968 ( 2.669 -9.691 -5.189) 11.312 5.275 ( 4.055 -1.832 -3.016) 5.375 5.583 ( -1.293 -7.224 -1.852) 7.569 5.697 ( 6.383 -2.845 5.688) 9.010 5.778 ( 3.308 -10.844 -4.316) 12.131 6.041 ( 10.428 -6.643 -5.298) 13.451 6.372 ( 11.875 -1.075 3.082) 12.316 6.790 ( 6.421 -4.177 -1.419) 7.790 6.889 ( 6.108 -2.409 -1.472) 6.729 7.017 ( 5.228 -4.209 2.460) 7.148 7.130 ( -2.421 1.170 3.879) 4.720 7.320 ( 5.545 0.773 -0.412) 5.613 8.084 ( -16.554 16.381 2.640) 23.438 8.265 ( -6.128 4.911 -13.324) 15.466 16.561 ( 1.458 -4.928 0.205) 5.143 16.636 ( 0.090 -5.248 -0.121) 5.250 17.104 ( 3.574 2.078 1.348) 4.348 17.323 ( 8.300 0.993 1.011) 8.421 22.590 ( -0.404 0.077 -0.434) 0.598 22.781 ( -0.375 1.093 -0.949) 1.495 26.491 ( -0.889 1.098 0.671) 1.564 26.606 ( -1.604 1.870 0.989) 2.655 36.035 ( -4.458 -3.218 2.360) 5.983 36.502 ( 1.011 -6.901 0.625) 7.003 36.797 ( 10.302 -4.579 -9.928) 15.022 37.531 ( 2.572 7.310 16.334) 18.079 ======================= Grid point 433 (215/227) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 3.724 -5.659 2.963) 7.394 2.499 ( 4.628 -1.907 0.142) 5.008 2.607 ( 6.115 -1.435 0.055) 6.281 2.774 ( 9.466 -5.404 -1.535) 11.007 3.118 ( 0.594 4.783 5.936) 7.646 3.590 ( -4.186 4.739 -1.649) 6.534 4.014 ( 1.370 -2.076 1.540) 2.925 4.399 ( 0.031 0.648 -0.759) 0.998 4.643 ( -3.643 -2.777 8.864) 9.978 4.891 ( 2.014 -3.582 -6.835) 7.975 5.161 ( 1.043 -8.666 -5.327) 10.226 5.365 ( 8.091 -0.618 0.336) 8.122 5.619 ( -0.400 0.567 -0.753) 1.024 5.829 ( 4.163 -3.981 1.547) 5.965 6.045 ( 9.376 -9.402 -2.915) 13.594 6.264 ( 2.318 -8.852 2.394) 9.459 6.457 ( 9.437 4.134 3.957) 11.037 6.870 ( -0.575 -2.108 0.280) 2.203 6.990 ( 1.633 -2.583 0.520) 3.100 7.103 ( 6.705 -0.372 0.851) 6.769 7.192 ( 1.291 -4.565 -0.858) 4.821 7.329 ( -5.175 0.313 -0.644) 5.224 7.681 ( -3.927 10.928 0.355) 11.617 8.064 ( -8.058 6.167 -8.271) 13.091 16.658 ( 2.161 -3.684 0.035) 4.272 16.730 ( 0.321 -4.562 -0.019) 4.574 17.091 ( 1.235 2.270 0.205) 2.592 17.369 ( 4.321 1.803 1.201) 4.833 22.588 ( 0.008 -0.083 -0.209) 0.225 22.758 ( -0.280 0.919 -0.487) 1.077 26.473 ( 0.051 0.570 0.508) 0.765 26.557 ( -1.619 1.594 0.575) 2.344 36.040 ( -3.658 -1.757 1.775) 4.429 36.641 ( 5.063 -3.901 1.266) 6.516 36.957 ( 8.116 -4.134 -12.798) 15.708 37.420 ( -4.831 5.599 14.488) 16.266 ======================= Grid point 434 (216/227) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.184 2.196 -1.074) 2.716 2.568 ( 6.118 -4.061 4.637) 8.684 2.662 ( 2.949 0.561 0.531) 3.048 2.905 ( 10.511 3.431 -0.418) 11.064 3.037 ( -4.578 2.184 1.585) 5.314 3.442 ( -8.569 3.110 -2.589) 9.477 4.065 ( 4.404 -0.940 -5.312) 6.964 4.354 ( -5.067 2.039 8.408) 10.027 4.701 ( -1.570 -5.157 4.740) 7.178 4.944 ( 2.712 -1.128 -7.643) 8.188 5.271 ( 1.125 -3.463 -2.847) 4.622 5.431 ( 5.392 2.051 0.951) 5.847 5.574 ( -1.418 2.842 0.345) 3.195 5.906 ( 1.277 -1.086 -1.643) 2.347 6.158 ( 7.201 7.324 -1.782) 10.425 6.362 ( 7.001 7.278 8.684) 13.320 6.520 ( -3.703 -4.634 2.521) 6.445 6.818 ( -2.651 -2.232 -4.555) 5.723 6.944 ( -3.655 10.211 -2.080) 11.043 7.109 ( 1.718 1.292 -0.756) 2.278 7.225 ( -1.438 -0.610 1.042) 1.877 7.327 ( -1.071 -3.522 2.225) 4.302 7.707 ( 3.108 -4.130 -2.217) 5.624 7.933 ( -2.258 -5.390 -1.916) 6.150 16.738 ( 3.185 -2.011 0.132) 3.769 16.798 ( 1.030 -2.139 -0.314) 2.394 17.049 ( -1.664 2.180 -0.112) 2.745 17.341 ( 0.323 4.291 0.778) 4.373 22.592 ( 0.181 -0.323 -0.013) 0.370 22.741 ( -0.222 0.630 -0.208) 0.699 26.473 ( 0.631 -0.065 0.412) 0.757 26.522 ( -1.301 0.564 -0.010) 1.419 36.034 ( -3.005 -1.426 1.442) 3.626 36.709 ( 8.930 5.605 -1.522) 10.653 37.056 ( 3.159 -2.246 -6.628) 7.678 37.327 ( -7.596 -1.148 8.154) 11.203 ======================= Grid point 435 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.404 7.978 -0.361) 7.996 2.624 ( 1.129 4.335 -0.399) 4.497 2.724 ( 8.124 0.794 4.705) 9.422 2.859 ( 2.866 8.809 4.110) 10.135 2.951 ( -4.150 1.020 -4.228) 6.011 3.317 ( -7.373 0.830 -4.343) 8.597 4.127 ( 7.783 0.169 -9.334) 12.154 4.264 ( -8.032 1.664 12.325) 14.805 4.794 ( -0.301 -5.112 1.290) 5.281 4.968 ( 1.830 -0.076 -3.963) 4.365 5.288 ( 4.717 7.004 0.460) 8.457 5.395 ( -2.570 1.498 -0.213) 2.982 5.513 ( -0.872 2.851 -0.053) 2.982 5.871 ( -0.266 7.633 0.633) 7.664 5.990 ( 1.192 10.611 -3.502) 11.237 6.209 ( 2.168 15.508 6.382) 16.910 6.456 ( -4.943 -0.197 -0.196) 4.951 6.699 ( -5.621 8.230 -1.318) 10.054 7.022 ( -0.428 3.030 -0.114) 3.062 7.056 ( 9.076 -7.636 -5.683) 13.152 7.183 ( -0.144 6.794 0.973) 6.865 7.330 ( -6.617 -0.284 3.819) 7.645 7.721 ( 0.577 -2.713 -0.606) 2.839 8.244 ( 3.627 -19.826 0.307) 20.158 16.795 ( 3.635 -0.170 0.186) 3.643 16.827 ( 1.265 0.213 -0.323) 1.323 16.973 ( -3.389 3.280 -0.044) 4.716 17.230 ( -1.722 6.845 0.153) 7.060 22.604 ( 0.229 -0.726 0.085) 0.766 22.730 ( -0.194 0.281 -0.062) 0.348 26.488 ( 0.876 -0.604 0.429) 1.147 26.512 ( -0.958 -0.788 -0.452) 1.320 36.044 ( -2.005 -2.606 0.871) 3.402 36.620 ( 5.079 10.858 -1.923) 12.141 37.095 ( 0.208 -0.490 1.821) 1.897 37.307 ( -3.496 -0.892 -1.007) 3.746 ======================= Grid point 436 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -0.000 11.395 0.000) 11.395 2.512 ( -0.000 8.441 0.000) 8.441 2.608 ( -0.000 13.724 0.000) 13.724 2.726 ( 0.000 8.762 -0.000) 8.762 2.984 ( -0.000 -4.857 0.000) 4.857 3.221 ( 0.000 5.117 0.000) 5.117 4.100 ( 0.000 7.098 0.000) 7.098 4.255 ( 0.000 -4.386 0.000) 4.386 4.857 ( 0.000 -0.626 -0.000) 0.626 4.967 ( -0.000 1.103 0.000) 1.103 5.103 ( 0.000 12.188 0.000) 12.188 5.383 ( 0.000 0.479 0.000) 0.479 5.417 ( -0.000 7.023 0.000) 7.023 5.691 ( 0.000 6.734 0.000) 6.734 5.878 ( 0.000 6.694 0.000) 6.694 5.911 ( -0.000 16.562 0.000) 16.562 6.450 ( 0.000 -0.893 0.000) 0.893 6.568 ( 0.000 3.412 0.000) 3.412 6.854 ( -0.000 10.705 0.000) 10.705 6.990 ( 0.000 12.929 0.000) 12.929 7.246 ( -0.000 -0.334 0.000) 0.334 7.268 ( 0.000 0.337 -0.000) 0.337 7.873 ( 0.000 -13.725 0.000) 13.725 8.598 ( 0.000 -16.300 0.000) 16.300 16.803 ( -0.000 3.721 -0.000) 3.721 16.807 ( 0.000 2.078 0.000) 2.078 16.879 ( 0.000 3.585 0.000) 3.585 17.089 ( 0.000 6.899 0.000) 6.899 22.623 ( 0.000 -1.253 0.000) 1.253 22.728 ( 0.000 -0.219 0.000) 0.219 26.512 ( 0.000 -1.410 0.000) 1.410 26.529 ( -0.000 -1.692 0.000) 1.692 36.098 ( -0.000 -4.613 0.000) 4.613 36.464 ( -0.000 8.457 0.000) 8.457 37.063 ( -0.000 5.013 0.000) 5.013 37.253 ( -0.000 4.811 0.000) 4.811 ======================= Grid point 442 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 13.672 0.000 10.719) 17.373 2.264 ( 12.369 0.000 -5.868) 13.690 2.281 ( 3.437 0.000 -7.103) 7.891 2.453 ( 12.074 0.000 2.334) 12.297 3.283 ( 10.742 0.000 4.077) 11.490 3.769 ( 4.911 0.000 18.068) 18.724 3.785 ( 6.506 0.000 0.993) 6.582 4.464 ( 3.991 0.000 -15.435) 15.942 4.498 ( 3.818 0.000 -4.651) 6.017 4.727 ( -7.753 -0.000 20.363) 21.789 4.763 ( -1.005 -0.000 -1.975) 2.216 5.172 ( -4.835 -0.000 -7.137) 8.621 5.263 ( -4.815 -0.000 -5.173) 7.067 5.564 ( 2.757 0.000 -0.727) 2.852 5.700 ( 7.309 0.000 0.612) 7.335 5.984 ( 12.900 0.000 -4.325) 13.606 6.344 ( 19.936 0.000 -2.013) 20.037 6.693 ( 11.290 0.000 -0.722) 11.313 6.852 ( 13.572 0.000 0.455) 13.580 6.919 ( 2.590 0.000 -0.254) 2.602 7.219 ( -8.034 -0.000 7.642) 11.088 7.319 ( 4.238 0.000 -0.666) 4.290 8.361 ( -1.876 -0.000 -18.056) 18.153 8.423 ( -18.198 -0.000 5.886) 19.126 16.438 ( 1.752 0.000 0.044) 1.753 16.524 ( -0.140 -0.000 -0.388) 0.412 17.150 ( 5.487 0.000 2.708) 6.119 17.362 ( 9.553 0.000 0.726) 9.581 22.593 ( -0.580 -0.000 -0.507) 0.771 22.804 ( -0.749 -0.000 -1.465) 1.645 26.518 ( -1.387 -0.000 0.800) 1.601 26.645 ( -1.880 -0.000 1.062) 2.160 35.935 ( -4.443 -0.000 3.899) 5.911 36.331 ( -1.058 -0.000 -4.139) 4.273 36.720 ( 11.167 0.000 -2.784) 11.509 37.713 ( 7.632 0.000 16.233) 17.937 ======================= Grid point 443 (220/227) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 7.351 -2.271 5.238) 9.308 2.339 ( 7.131 -4.091 -1.285) 8.321 2.452 ( 8.037 -7.230 -4.255) 11.618 2.585 ( 9.628 -1.408 1.543) 9.852 3.339 ( 7.887 5.165 5.913) 11.129 3.775 ( 1.330 4.490 0.507) 4.710 3.895 ( 2.020 -3.795 11.032) 11.840 4.445 ( 4.755 2.472 -11.496) 12.684 4.588 ( 1.306 -2.611 -0.905) 3.057 4.698 ( -3.515 -3.375 12.041) 12.989 4.834 ( 2.299 -7.550 -3.719) 8.725 5.169 ( -4.076 -6.489 -4.181) 8.729 5.326 ( -5.505 -12.965 -2.690) 14.340 5.634 ( 2.935 -4.728 -1.011) 5.656 5.779 ( 6.993 -0.170 0.627) 7.023 6.105 ( 12.258 -0.317 -3.670) 12.799 6.549 ( 18.683 1.017 0.210) 18.712 6.805 ( 5.910 -1.118 -0.307) 6.022 6.920 ( 1.556 -0.020 -0.949) 1.823 7.031 ( 9.121 -3.895 0.706) 9.943 7.114 ( -5.216 2.689 6.116) 8.476 7.380 ( 5.027 -0.509 0.156) 5.055 8.160 ( -15.587 9.276 3.170) 18.413 8.273 ( -3.991 4.128 -14.307) 15.416 16.492 ( 1.413 -3.813 0.024) 4.066 16.554 ( -0.117 -3.419 -0.236) 3.430 17.191 ( 4.600 2.075 1.956) 5.412 17.436 ( 7.329 1.574 0.752) 7.533 22.588 ( -0.085 0.040 -0.347) 0.359 22.788 ( -0.723 0.573 -1.036) 1.387 26.503 ( -0.318 0.741 0.763) 1.110 26.614 ( -2.299 1.098 0.862) 2.690 35.931 ( -3.773 -3.298 2.642) 5.665 36.370 ( -0.664 -6.004 -2.234) 6.441 36.839 ( 9.650 -1.624 -4.349) 10.709 37.736 ( 3.792 6.999 13.221) 15.433 ======================= Grid point 444 (221/227) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 3.650 -3.741 1.673) 5.488 2.499 ( 5.094 -3.944 1.629) 6.645 2.632 ( 5.219 -3.956 -1.143) 6.648 2.724 ( 6.109 -5.928 -0.422) 8.523 3.297 ( 5.797 8.229 6.206) 11.825 3.649 ( -4.299 7.045 -3.017) 8.787 3.981 ( 0.719 -3.149 4.667) 5.676 4.428 ( 1.511 2.186 -3.080) 4.068 4.588 ( -3.139 -0.837 6.556) 7.316 4.811 ( 1.606 -6.146 -3.107) 7.071 5.012 ( 2.077 -8.114 -3.790) 9.193 5.325 ( 2.397 -11.146 -2.393) 11.649 5.515 ( -3.682 -10.638 -0.176) 11.259 5.821 ( 2.033 -14.478 -0.239) 14.622 5.851 ( 5.358 -0.687 1.637) 5.645 6.255 ( 11.553 -2.142 -2.486) 12.010 6.661 ( 8.714 3.430 3.331) 9.939 6.834 ( 0.871 -0.949 -0.082) 1.291 6.930 ( -2.819 -1.551 3.053) 4.435 7.109 ( 5.476 -2.040 -1.286) 5.984 7.175 ( 4.001 -1.986 -0.461) 4.490 7.384 ( 0.216 5.647 1.195) 5.776 7.842 ( -5.895 10.605 1.040) 12.177 8.084 ( -7.380 7.231 -9.387) 13.959 16.591 ( 1.175 -5.301 -0.154) 5.432 16.635 ( -0.094 -5.433 0.055) 5.434 17.173 ( 2.436 4.129 0.825) 4.865 17.462 ( 4.493 2.625 0.753) 5.257 22.587 ( 0.124 0.004 -0.170) 0.211 22.768 ( -0.457 0.756 -0.558) 1.045 26.490 ( 0.605 0.903 0.552) 1.219 26.567 ( -2.215 1.493 0.505) 2.719 35.965 ( -2.624 -3.325 1.238) 4.413 36.516 ( 0.327 -10.063 0.336) 10.074 36.963 ( 7.501 -3.338 -7.132) 10.875 37.594 ( -0.528 12.448 10.457) 16.266 ======================= Grid point 445 (222/227) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 2.277 -5.956 1.092) 6.469 2.574 ( 2.065 -0.776 0.955) 2.404 2.699 ( 2.409 -0.021 0.061) 2.410 2.900 ( 2.446 -7.056 -1.417) 7.602 3.202 ( 5.961 9.728 5.108) 12.500 3.443 ( -7.791 7.387 -3.599) 11.323 4.055 ( 1.839 -3.236 -0.458) 3.750 4.376 ( -1.761 3.351 2.412) 4.488 4.611 ( -1.322 -3.551 2.692) 4.648 4.912 ( 1.305 -3.815 -3.374) 5.257 5.146 ( -0.719 -7.163 -1.792) 7.418 5.499 ( 3.864 -3.400 -0.749) 5.201 5.589 ( -1.157 -0.883 -0.424) 1.516 5.910 ( 3.095 -0.899 -0.822) 3.326 6.190 ( 0.123 -20.683 3.584) 20.991 6.355 ( 11.470 3.180 -1.157) 11.959 6.603 ( -4.950 4.989 1.347) 7.155 6.861 ( 4.697 7.815 2.629) 9.489 7.019 ( 0.846 -10.713 2.136) 10.956 7.099 ( -7.203 8.645 -5.338) 12.454 7.177 ( -0.762 0.906 0.240) 1.208 7.277 ( 2.704 -1.250 0.716) 3.064 7.736 ( 5.331 2.743 0.456) 6.012 7.876 ( -7.475 4.182 -3.931) 9.425 16.697 ( 1.178 -4.902 -0.143) 5.043 16.733 ( 0.004 -5.110 0.075) 5.111 17.106 ( 0.325 4.646 0.101) 4.658 17.433 ( 1.468 4.268 0.492) 4.540 22.590 ( 0.108 -0.126 -0.044) 0.172 22.751 ( -0.183 0.739 -0.198) 0.787 26.486 ( 0.988 0.566 0.331) 1.186 26.523 ( -1.620 1.116 0.079) 1.969 35.991 ( -1.334 -1.620 0.571) 2.174 36.712 ( 1.427 -9.523 1.317) 9.719 37.090 ( 7.154 -3.723 -10.650) 13.359 37.341 ( -5.679 12.886 10.378) 17.493 ======================= Grid point 446 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.000 3.684 0.000) 3.684 2.671 ( 0.000 -8.117 0.000) 8.117 2.692 ( -0.000 2.178 0.000) 2.178 2.962 ( -0.000 2.286 0.000) 2.286 3.085 ( -0.000 9.182 -0.000) 9.182 3.280 ( 0.000 2.457 0.000) 2.457 4.127 ( 0.000 -3.210 0.000) 3.210 4.293 ( -0.000 4.426 0.000) 4.426 4.692 ( -0.000 -5.617 0.000) 5.617 4.962 ( 0.000 -1.390 0.000) 1.390 5.258 ( -0.000 -5.808 0.000) 5.808 5.528 ( -0.000 6.621 0.000) 6.621 5.541 ( 0.000 0.611 -0.000) 0.611 5.927 ( 0.000 0.712 0.000) 0.712 6.271 ( -0.000 16.813 0.000) 16.813 6.360 ( -0.000 -1.506 0.000) 1.506 6.562 ( 0.000 6.495 0.000) 6.495 6.814 ( 0.000 10.291 0.000) 10.291 6.816 ( -0.000 -9.348 -0.000) 9.348 7.133 ( -0.000 2.664 0.000) 2.664 7.198 ( 0.000 -3.233 0.000) 3.233 7.347 ( -0.000 -0.391 0.000) 0.391 7.717 ( 0.000 2.293 0.000) 2.293 7.923 ( 0.000 -14.792 0.000) 14.792 16.780 ( -0.000 -3.285 0.000) 3.285 16.808 ( 0.000 -2.874 -0.000) 2.874 17.025 ( 0.000 4.195 0.000) 4.195 17.345 ( -0.000 6.181 0.000) 6.181 22.595 ( 0.000 -0.394 0.000) 0.394 22.737 ( 0.000 0.618 0.000) 0.618 26.491 ( 0.000 -0.268 0.000) 0.268 26.497 ( -0.000 0.491 -0.000) 0.491 36.005 ( -0.000 -1.043 0.000) 1.043 36.815 ( 0.000 3.179 0.000) 3.179 37.097 ( -0.000 4.948 0.000) 4.948 37.227 ( -0.000 -5.116 -0.000) 5.116 ======================= Grid point 454 (224/227) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 8.145 0.000 5.631) 9.902 2.345 ( 3.566 0.000 -2.742) 4.499 2.448 ( 6.466 0.000 -2.932) 7.100 2.668 ( 7.368 0.000 0.842) 7.416 3.482 ( 6.941 0.000 6.859) 9.758 3.830 ( -1.391 -0.000 -4.279) 4.500 3.894 ( 1.839 0.000 11.702) 11.845 4.514 ( 6.017 0.000 -16.213) 17.294 4.593 ( 5.403 0.000 -2.416) 5.918 4.642 ( -6.372 -0.000 17.531) 18.653 4.761 ( 2.029 0.000 -0.548) 2.102 5.060 ( -4.119 -0.000 -2.639) 4.892 5.102 ( -8.177 -0.000 -5.076) 9.624 5.622 ( 2.423 0.000 -0.649) 2.509 5.847 ( 5.819 0.000 0.289) 5.826 6.226 ( 12.516 0.000 -4.565) 13.322 6.713 ( 3.364 0.000 3.008) 4.513 6.855 ( 4.376 0.000 -0.036) 4.376 6.915 ( 4.376 0.000 1.368) 4.585 7.086 ( 8.158 0.000 0.205) 8.160 7.145 ( 1.701 0.000 2.428) 2.964 7.419 ( 4.713 0.000 -0.537) 4.743 8.088 ( -14.336 -0.000 4.111) 14.914 8.258 ( -3.342 -0.000 -12.403) 12.845 16.470 ( 1.142 0.000 -0.094) 1.146 16.520 ( -0.163 -0.000 -0.120) 0.203 17.263 ( 4.129 0.000 1.530) 4.403 17.517 ( 4.923 0.000 0.597) 4.959 22.588 ( 0.135 0.000 -0.211) 0.251 22.784 ( -0.704 -0.000 -0.795) 1.062 26.513 ( 0.602 0.000 0.688) 0.914 26.599 ( -2.643 -0.000 0.568) 2.703 35.869 ( -2.682 -0.000 2.248) 3.499 36.300 ( -0.716 -0.000 -2.397) 2.502 36.910 ( 7.153 0.000 -2.341) 7.526 37.859 ( 2.573 0.000 9.200) 9.553 ======================= Grid point 455 (225/227) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 2.387 0.214 0.296) 2.415 2.470 ( 3.597 -4.532 1.536) 5.987 2.557 ( 2.808 -6.236 -1.425) 6.986 2.733 ( 3.743 -0.648 0.296) 3.810 3.503 ( 5.452 5.719 5.778) 9.789 3.729 ( -3.715 6.605 -4.109) 8.621 3.945 ( 0.444 -2.183 4.635) 5.143 4.497 ( 2.766 3.766 -6.331) 7.869 4.575 ( -2.206 1.480 5.956) 6.521 4.711 ( 1.026 -5.816 0.305) 5.913 4.900 ( 3.593 -7.256 -1.592) 8.252 5.090 ( -0.632 -11.718 -1.764) 11.867 5.191 ( -6.257 -15.539 -0.662) 16.765 5.680 ( 1.335 -4.531 -0.426) 4.743 5.894 ( 3.111 0.123 0.218) 3.121 6.358 ( 12.830 -0.641 -3.800) 13.397 6.656 ( -10.748 -1.374 4.156) 11.605 6.862 ( 0.694 2.878 0.568) 3.014 7.001 ( 9.283 2.140 1.709) 9.679 7.152 ( 3.180 1.143 -1.072) 3.545 7.181 ( 4.307 -2.340 -0.353) 4.914 7.463 ( 2.014 0.917 0.356) 2.242 7.914 ( -7.496 5.503 2.176) 9.551 8.144 ( -3.548 6.521 -6.726) 10.017 16.514 ( 0.582 -3.711 -0.096) 3.758 16.551 ( -0.097 -3.487 -0.001) 3.488 17.269 ( 2.024 3.175 0.688) 3.828 17.541 ( 2.461 1.663 0.348) 2.991 22.589 ( 0.134 0.038 -0.087) 0.164 22.773 ( -0.369 0.389 -0.378) 0.656 26.517 ( 1.356 0.748 0.426) 1.606 26.565 ( -2.376 0.845 0.218) 2.531 35.882 ( -1.408 -3.164 0.955) 3.593 36.354 ( -0.266 -6.811 -0.846) 6.869 36.974 ( 3.784 -1.200 -1.868) 4.387 37.811 ( 0.769 8.485 4.854) 9.806 ======================= Grid point 456 (226/227) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -0.000 -3.708 -0.000) 3.708 2.557 ( -0.000 -2.747 0.000) 2.747 2.684 ( -0.000 -4.379 0.000) 4.379 2.789 ( -0.000 -4.782 0.000) 4.782 3.416 ( -0.000 8.273 -0.000) 8.273 3.544 ( 0.000 9.328 0.000) 9.328 4.000 ( -0.000 -3.320 0.000) 3.320 4.436 ( -0.000 3.736 0.000) 3.736 4.564 ( -0.000 -1.013 -0.000) 1.013 4.825 ( -0.000 -5.973 0.000) 5.973 5.020 ( -0.000 -6.235 0.000) 6.235 5.370 ( -0.000 -13.155 0.000) 13.155 5.456 ( -0.000 -14.276 0.000) 14.276 5.841 ( -0.000 -14.529 0.000) 14.529 5.913 ( -0.000 -0.567 -0.000) 0.567 6.448 ( -0.000 -0.006 0.000) 0.006 6.631 ( -0.000 -0.348 0.000) 0.348 6.822 ( -0.000 -3.131 0.000) 3.131 7.005 ( -0.000 3.277 -0.000) 3.277 7.164 ( -0.000 0.532 0.000) 0.532 7.219 ( -0.000 1.078 0.000) 1.078 7.371 ( -0.000 9.103 0.000) 9.103 7.810 ( -0.000 2.201 0.000) 2.201 7.958 ( -0.000 9.835 0.000) 9.835 16.604 ( -0.000 -5.562 0.000) 5.562 16.634 ( -0.000 -5.472 0.000) 5.472 17.202 ( -0.000 5.111 0.000) 5.111 17.511 ( -0.000 3.145 0.000) 3.145 22.589 ( -0.000 0.014 0.000) 0.014 22.762 ( -0.000 0.621 0.000) 0.621 26.511 ( -0.000 1.116 0.000) 1.116 26.531 ( -0.000 1.073 0.000) 1.073 35.939 ( -0.000 -3.369 0.000) 3.369 36.520 ( -0.000 -11.065 0.000) 11.065 37.033 ( -0.000 -3.644 0.000) 3.644 37.603 ( -0.000 14.753 0.000) 14.753 ======================= Grid point 467 (227/227) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -0.000 -0.000 0.000) 0.000 2.434 ( -0.000 -0.000 0.000) 0.000 2.511 ( -0.000 -0.000 0.000) 0.000 2.749 ( -0.000 -0.000 0.000) 0.000 3.596 ( -0.000 -0.000 -0.000) 0.000 3.769 ( -0.000 -0.000 0.000) 0.000 3.932 ( -0.000 -0.000 0.000) 0.000 4.571 ( -0.000 -0.000 0.000) 0.000 4.593 ( -0.000 -0.000 -0.000) 0.000 4.645 ( -0.000 -0.000 0.000) 0.000 4.849 ( -0.000 -0.000 -0.000) 0.000 4.941 ( -0.000 -0.000 0.000) 0.000 5.004 ( -0.000 -0.000 0.000) 0.000 5.648 ( -0.000 -0.000 0.000) 0.000 5.913 ( -0.000 -0.000 0.000) 0.000 6.454 ( -0.000 -0.000 0.000) 0.000 6.545 ( 0.000 0.000 -0.000) 0.000 6.896 ( -0.000 -0.000 0.000) 0.000 7.091 ( -0.000 -0.000 0.000) 0.000 7.175 ( -0.000 -0.000 -0.000) 0.000 7.185 ( -0.000 -0.000 -0.000) 0.000 7.474 ( -0.000 -0.000 0.000) 0.000 7.922 ( -0.000 -0.000 0.000) 0.000 8.183 ( -0.000 -0.000 -0.000) 0.000 16.482 ( -0.000 -0.000 0.000) 0.000 16.518 ( -0.000 -0.000 0.000) 0.000 17.312 ( -0.000 -0.000 0.000) 0.000 17.569 ( -0.000 -0.000 0.000) 0.000 22.590 ( -0.000 -0.000 0.000) 0.000 22.774 ( -0.000 -0.000 0.000) 0.000 26.539 ( -0.000 -0.000 0.000) 0.000 26.553 ( -0.000 -0.000 0.000) 0.000 35.844 ( -0.000 -0.000 -0.000) 0.000 36.288 ( -0.000 -0.000 0.000) 0.000 36.983 ( -0.000 -0.000 0.000) 0.000 37.899 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 570.459 348.736 361.780 -0.000 -16.367 0.000 3/28800 20.0 149.996 146.481 104.576 -0.000 -7.285 0.000 3/28800 30.0 57.613 58.258 40.895 -0.000 -2.906 0.000 3/28800 40.0 28.647 28.519 21.207 -0.000 -1.227 0.000 3/28800 50.0 17.103 16.695 13.163 -0.000 -0.603 0.000 3/28800 60.0 11.662 11.227 9.230 -0.000 -0.347 0.000 3/28800 70.0 8.729 8.336 7.031 -0.000 -0.231 0.000 3/28800 80.0 6.970 6.631 5.669 -0.000 -0.172 0.000 3/28800 90.0 5.824 5.533 4.757 -0.000 -0.140 0.000 3/28800 100.0 5.026 4.776 4.107 -0.000 -0.121 0.000 3/28800 110.0 4.442 4.223 3.622 -0.000 -0.109 0.000 3/28800 120.0 3.996 3.803 3.246 -0.000 -0.100 0.000 3/28800 130.0 3.645 3.472 2.946 -0.000 -0.094 0.000 3/28800 140.0 3.361 3.204 2.700 -0.000 -0.089 0.000 3/28800 150.0 3.126 2.982 2.495 -0.000 -0.085 0.000 3/28800 160.0 2.929 2.794 2.321 -0.000 -0.081 0.000 3/28800 170.0 2.760 2.634 2.171 -0.000 -0.078 0.000 3/28800 180.0 2.614 2.494 2.041 -0.000 -0.076 0.000 3/28800 190.0 2.485 2.371 1.927 -0.000 -0.073 0.000 3/28800 200.0 2.371 2.263 1.825 -0.000 -0.071 0.000 3/28800 210.0 2.269 2.165 1.735 -0.000 -0.069 0.000 3/28800 220.0 2.177 2.077 1.654 -0.000 -0.066 0.000 3/28800 230.0 2.094 1.997 1.580 -0.000 -0.065 0.000 3/28800 240.0 2.017 1.924 1.513 -0.000 -0.063 0.000 3/28800 250.0 1.947 1.858 1.453 -0.000 -0.061 0.000 3/28800 260.0 1.882 1.796 1.397 -0.000 -0.059 0.000 3/28800 270.0 1.822 1.739 1.346 -0.000 -0.058 0.000 3/28800 280.0 1.766 1.685 1.299 -0.000 -0.056 0.000 3/28800 290.0 1.714 1.636 1.255 -0.000 -0.055 0.000 3/28800 300.0 1.665 1.590 1.215 -0.000 -0.053 0.000 3/28800 310.0 1.619 1.546 1.177 -0.000 -0.052 0.000 3/28800 320.0 1.576 1.505 1.142 -0.000 -0.051 0.000 3/28800 330.0 1.536 1.467 1.109 -0.000 -0.049 0.000 3/28800 340.0 1.497 1.430 1.079 -0.000 -0.048 0.000 3/28800 350.0 1.461 1.396 1.050 -0.000 -0.047 0.000 3/28800 360.0 1.426 1.363 1.023 -0.000 -0.046 0.000 3/28800 370.0 1.393 1.332 0.997 -0.000 -0.045 0.000 3/28800 380.0 1.362 1.303 0.973 -0.000 -0.044 0.000 3/28800 390.0 1.332 1.275 0.950 -0.000 -0.043 0.000 3/28800 400.0 1.304 1.248 0.929 -0.000 -0.042 0.000 3/28800 410.0 1.277 1.223 0.909 -0.000 -0.041 0.000 3/28800 420.0 1.251 1.198 0.889 -0.000 -0.040 0.000 3/28800 430.0 1.226 1.175 0.871 -0.000 -0.039 0.000 3/28800 440.0 1.202 1.153 0.853 -0.000 -0.038 0.000 3/28800 450.0 1.179 1.131 0.837 -0.000 -0.037 0.000 3/28800 460.0 1.157 1.111 0.821 -0.000 -0.036 0.000 3/28800 470.0 1.136 1.091 0.805 -0.000 -0.035 0.000 3/28800 480.0 1.116 1.072 0.791 -0.000 -0.035 0.000 3/28800 490.0 1.096 1.053 0.777 -0.000 -0.034 0.000 3/28800 500.0 1.077 1.036 0.763 -0.000 -0.033 0.000 3/28800 510.0 1.059 1.019 0.750 -0.000 -0.033 0.000 3/28800 520.0 1.042 1.002 0.738 -0.000 -0.032 0.000 3/28800 530.0 1.025 0.987 0.726 -0.000 -0.031 0.000 3/28800 540.0 1.008 0.971 0.715 -0.000 -0.031 0.000 3/28800 550.0 0.993 0.956 0.704 -0.000 -0.030 0.000 3/28800 560.0 0.977 0.942 0.693 -0.000 -0.029 0.000 3/28800 570.0 0.963 0.928 0.683 -0.000 -0.029 0.000 3/28800 580.0 0.948 0.915 0.673 -0.000 -0.028 0.000 3/28800 590.0 0.934 0.902 0.663 -0.000 -0.028 0.000 3/28800 600.0 0.921 0.889 0.654 -0.000 -0.027 0.000 3/28800 610.0 0.908 0.877 0.645 -0.000 -0.027 0.000 3/28800 620.0 0.895 0.865 0.637 -0.000 -0.026 0.000 3/28800 630.0 0.883 0.853 0.628 -0.000 -0.026 0.000 3/28800 640.0 0.871 0.842 0.620 -0.000 -0.025 0.000 3/28800 650.0 0.859 0.831 0.612 -0.000 -0.025 0.000 3/28800 660.0 0.848 0.821 0.605 -0.000 -0.024 0.000 3/28800 670.0 0.837 0.810 0.597 -0.000 -0.024 0.000 3/28800 680.0 0.826 0.800 0.590 -0.000 -0.024 0.000 3/28800 690.0 0.816 0.790 0.583 -0.000 -0.023 0.000 3/28800 700.0 0.806 0.781 0.576 -0.000 -0.023 0.000 3/28800 710.0 0.796 0.771 0.569 -0.000 -0.022 0.000 3/28800 720.0 0.786 0.762 0.563 -0.000 -0.022 0.000 3/28800 730.0 0.777 0.754 0.556 -0.000 -0.022 0.000 3/28800 740.0 0.768 0.745 0.550 -0.000 -0.021 0.000 3/28800 750.0 0.759 0.737 0.544 -0.000 -0.021 0.000 3/28800 760.0 0.750 0.728 0.538 -0.000 -0.021 0.000 3/28800 770.0 0.741 0.720 0.533 -0.000 -0.020 0.000 3/28800 780.0 0.733 0.712 0.527 -0.000 -0.020 0.000 3/28800 790.0 0.725 0.705 0.522 -0.000 -0.020 0.000 3/28800 800.0 0.717 0.697 0.516 -0.000 -0.019 0.000 3/28800 810.0 0.709 0.690 0.511 -0.000 -0.019 0.000 3/28800 820.0 0.702 0.683 0.506 -0.000 -0.019 0.000 3/28800 830.0 0.694 0.676 0.501 -0.000 -0.019 0.000 3/28800 840.0 0.687 0.669 0.496 -0.000 -0.018 0.000 3/28800 850.0 0.680 0.662 0.492 -0.000 -0.018 0.000 3/28800 860.0 0.673 0.656 0.487 -0.000 -0.018 0.000 3/28800 870.0 0.666 0.649 0.482 -0.000 -0.018 0.000 3/28800 880.0 0.660 0.643 0.478 -0.000 -0.017 0.000 3/28800 890.0 0.653 0.637 0.474 -0.000 -0.017 0.000 3/28800 900.0 0.647 0.631 0.469 -0.000 -0.017 0.000 3/28800 910.0 0.641 0.625 0.465 -0.000 -0.017 0.000 3/28800 920.0 0.634 0.619 0.461 -0.000 -0.016 0.000 3/28800 930.0 0.628 0.613 0.457 -0.000 -0.016 0.000 3/28800 940.0 0.623 0.608 0.453 -0.000 -0.016 0.000 3/28800 950.0 0.617 0.602 0.449 -0.000 -0.016 0.000 3/28800 960.0 0.611 0.597 0.445 -0.000 -0.016 0.000 3/28800 970.0 0.606 0.591 0.442 -0.000 -0.015 0.000 3/28800 980.0 0.600 0.586 0.438 -0.000 -0.015 0.000 3/28800 990.0 0.595 0.581 0.435 -0.000 -0.015 0.000 3/28800 1000.0 0.590 0.576 0.431 -0.000 -0.015 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:58:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|