----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:09:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.724205620000000 -4.113395335000001 0.000000000000000 b 2.724205620000000 4.113395335000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.544310330000002 Atomic positions (fractional): *1 O 0.27767727284032 0.22365555856742 0.25000000000000 15.999 2 O 0.72232272715968 0.77634444143258 0.75000000000000 15.999 3 O 0.22365555856742 0.27767727284032 0.75000000000000 15.999 4 O 0.77634444143258 0.72232272715968 0.25000000000000 15.999 *5 O 0.75518444072544 0.24481555927456 0.03847923401933 15.999 6 O 0.24481555927456 0.75518444072544 0.53847923401933 15.999 7 O 0.24481555927456 0.75518444072544 0.96152076598067 15.999 8 O 0.75518444072544 0.24481555927456 0.46152076598067 15.999 *9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *11 Se 0.64837427724316 0.35162572275684 0.25000000000000 78.960 12 Se 0.35162572275684 0.64837427724316 0.75000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.448411240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.226790670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.544310330000002 Atomic positions (fractional): *1 O 0.25066641570387 0.97298914286355 0.25000000000000 15.999 > 1 2 O 0.74933358429613 0.02701085713645 0.75000000000000 15.999 > 2 3 O 0.25066641570387 0.02701085713645 0.75000000000000 15.999 > 3 4 O 0.74933358429613 0.97298914286355 0.25000000000000 15.999 > 4 *5 O 0.50000000000000 0.74481555927456 0.03847923401933 15.999 > 5 6 O 0.50000000000000 0.25518444072544 0.53847923401933 15.999 > 6 7 O 0.50000000000000 0.25518444072544 0.96152076598067 15.999 > 7 8 O 0.50000000000000 0.74481555927456 0.46152076598067 15.999 > 8 9 O 0.75066641570387 0.47298914286355 0.25000000000000 15.999 > 1 10 O 0.24933358429613 0.52701085713645 0.75000000000000 15.999 > 2 11 O 0.75066641570387 0.52701085713645 0.75000000000000 15.999 > 3 12 O 0.24933358429613 0.47298914286355 0.25000000000000 15.999 > 4 13 O 0.00000000000000 0.24481555927456 0.03847923401933 15.999 > 5 14 O 0.00000000000000 0.75518444072544 0.53847923401933 15.999 > 6 15 O 0.00000000000000 0.75518444072544 0.96152076598067 15.999 > 7 16 O 0.00000000000000 0.24481555927456 0.46152076598067 15.999 > 8 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 18 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 10 19 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 9 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 10 *21 Se 0.50000000000000 0.85162572275684 0.25000000000000 78.960 > 11 22 Se 0.50000000000000 0.14837427724316 0.75000000000000 78.960 > 12 23 Se 0.00000000000000 0.35162572275684 0.25000000000000 78.960 > 11 24 Se 0.00000000000000 0.64837427724316 0.75000000000000 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.896822480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.226790670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.088620660000004 Atomic positions (fractional): *1 O 0.12533320785194 0.97298914286355 0.12500000000000 15.999 > 1 2 O 0.62533320785194 0.97298914286355 0.12500000000000 15.999 > 1 3 O 0.12533320785194 0.97298914286355 0.62500000000000 15.999 > 1 4 O 0.62533320785194 0.97298914286355 0.62500000000000 15.999 > 1 5 O 0.37466679214806 0.02701085713645 0.37500000000000 15.999 > 2 6 O 0.87466679214806 0.02701085713645 0.37500000000000 15.999 > 2 7 O 0.37466679214806 0.02701085713645 0.87500000000000 15.999 > 2 8 O 0.87466679214806 0.02701085713645 0.87500000000000 15.999 > 2 9 O 0.12533320785194 0.02701085713645 0.37500000000000 15.999 > 3 10 O 0.62533320785194 0.02701085713645 0.37500000000000 15.999 > 3 11 O 0.12533320785194 0.02701085713645 0.87500000000000 15.999 > 3 12 O 0.62533320785194 0.02701085713645 0.87500000000000 15.999 > 3 13 O 0.37466679214806 0.97298914286355 0.12500000000000 15.999 > 4 14 O 0.87466679214806 0.97298914286355 0.12500000000000 15.999 > 4 15 O 0.37466679214806 0.97298914286355 0.62500000000000 15.999 > 4 16 O 0.87466679214806 0.97298914286355 0.62500000000000 15.999 > 4 *17 O 0.25000000000000 0.74481555927456 0.01923961700966 15.999 > 5 18 O 0.75000000000000 0.74481555927456 0.01923961700966 15.999 > 5 19 O 0.25000000000000 0.74481555927456 0.51923961700966 15.999 > 5 20 O 0.75000000000000 0.74481555927456 0.51923961700966 15.999 > 5 21 O 0.25000000000000 0.25518444072544 0.26923961700966 15.999 > 6 22 O 0.75000000000000 0.25518444072544 0.26923961700966 15.999 > 6 23 O 0.25000000000000 0.25518444072544 0.76923961700966 15.999 > 6 24 O 0.75000000000000 0.25518444072544 0.76923961700966 15.999 > 6 25 O 0.25000000000000 0.25518444072544 0.48076038299034 15.999 > 7 26 O 0.75000000000000 0.25518444072544 0.48076038299034 15.999 > 7 27 O 0.25000000000000 0.25518444072544 0.98076038299034 15.999 > 7 28 O 0.75000000000000 0.25518444072544 0.98076038299034 15.999 > 7 29 O 0.25000000000000 0.74481555927456 0.23076038299034 15.999 > 8 30 O 0.75000000000000 0.74481555927456 0.23076038299034 15.999 > 8 31 O 0.25000000000000 0.74481555927456 0.73076038299034 15.999 > 8 32 O 0.75000000000000 0.74481555927456 0.73076038299034 15.999 > 8 33 O 0.37533320785194 0.47298914286355 0.12500000000000 15.999 > 1 34 O 0.87533320785194 0.47298914286355 0.12500000000000 15.999 > 1 35 O 0.37533320785194 0.47298914286355 0.62500000000000 15.999 > 1 36 O 0.87533320785194 0.47298914286355 0.62500000000000 15.999 > 1 37 O 0.12466679214806 0.52701085713645 0.37500000000000 15.999 > 2 38 O 0.62466679214806 0.52701085713645 0.37500000000000 15.999 > 2 39 O 0.12466679214806 0.52701085713645 0.87500000000000 15.999 > 2 40 O 0.62466679214806 0.52701085713645 0.87500000000000 15.999 > 2 41 O 0.37533320785194 0.52701085713645 0.37500000000000 15.999 > 3 42 O 0.87533320785194 0.52701085713645 0.37500000000000 15.999 > 3 43 O 0.37533320785194 0.52701085713645 0.87500000000000 15.999 > 3 44 O 0.87533320785194 0.52701085713645 0.87500000000000 15.999 > 3 45 O 0.12466679214806 0.47298914286355 0.12500000000000 15.999 > 4 46 O 0.62466679214806 0.47298914286355 0.12500000000000 15.999 > 4 47 O 0.12466679214806 0.47298914286355 0.62500000000000 15.999 > 4 48 O 0.62466679214806 0.47298914286355 0.62500000000000 15.999 > 4 49 O 0.00000000000000 0.24481555927456 0.01923961700966 15.999 > 5 50 O 0.50000000000000 0.24481555927456 0.01923961700966 15.999 > 5 51 O 0.00000000000000 0.24481555927456 0.51923961700966 15.999 > 5 52 O 0.50000000000000 0.24481555927456 0.51923961700966 15.999 > 5 53 O 0.00000000000000 0.75518444072544 0.26923961700966 15.999 > 6 54 O 0.50000000000000 0.75518444072544 0.26923961700966 15.999 > 6 55 O 0.00000000000000 0.75518444072544 0.76923961700966 15.999 > 6 56 O 0.50000000000000 0.75518444072544 0.76923961700966 15.999 > 6 57 O 0.00000000000000 0.75518444072544 0.48076038299034 15.999 > 7 58 O 0.50000000000000 0.75518444072544 0.48076038299034 15.999 > 7 59 O 0.00000000000000 0.75518444072544 0.98076038299034 15.999 > 7 60 O 0.50000000000000 0.75518444072544 0.98076038299034 15.999 > 7 61 O 0.00000000000000 0.24481555927456 0.23076038299034 15.999 > 8 62 O 0.50000000000000 0.24481555927456 0.23076038299034 15.999 > 8 63 O 0.00000000000000 0.24481555927456 0.73076038299034 15.999 > 8 64 O 0.50000000000000 0.24481555927456 0.73076038299034 15.999 > 8 *65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 9 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 9 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 9 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 10 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 10 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 10 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 10 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 9 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 9 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 9 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 9 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 10 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 10 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 10 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 10 *81 Se 0.25000000000000 0.85162572275684 0.12500000000000 78.960 > 11 82 Se 0.75000000000000 0.85162572275684 0.12500000000000 78.960 > 11 83 Se 0.25000000000000 0.85162572275684 0.62500000000000 78.960 > 11 84 Se 0.75000000000000 0.85162572275684 0.62500000000000 78.960 > 11 85 Se 0.25000000000000 0.14837427724316 0.37500000000000 78.960 > 12 86 Se 0.75000000000000 0.14837427724316 0.37500000000000 78.960 > 12 87 Se 0.25000000000000 0.14837427724316 0.87500000000000 78.960 > 12 88 Se 0.75000000000000 0.14837427724316 0.87500000000000 78.960 > 12 89 Se 0.00000000000000 0.35162572275684 0.12500000000000 78.960 > 11 90 Se 0.50000000000000 0.35162572275684 0.12500000000000 78.960 > 11 91 Se 0.00000000000000 0.35162572275684 0.62500000000000 78.960 > 11 92 Se 0.50000000000000 0.35162572275684 0.62500000000000 78.960 > 11 93 Se 0.00000000000000 0.64837427724316 0.37500000000000 78.960 > 12 94 Se 0.50000000000000 0.64837427724316 0.37500000000000 78.960 > 12 95 Se 0.00000000000000 0.64837427724316 0.87500000000000 78.960 > 12 96 Se 0.50000000000000 0.64837427724316 0.87500000000000 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1622901 0.0000000 0.0000000 0.0000000 3.0027513 0.0000000 0.0000000 0.0000000 2.9898678 -------------------------- Born effective charges -------------------------- 1 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 2 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 3 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 4 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 5 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 6 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 7 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 8 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 9 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 -0.5769459 0.0000000 0.4642804 2.1726528 10 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 0.5769459 0.0000000 -0.4642804 2.1726528 11 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 12 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.586 Solver_block: 200 / 240 - Time: 0.586 Solver_block: 240 / 240 - Time: 0.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.471 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:09:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:09:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.724205620000000 -4.113395335000001 0.000000000000000 b 2.724205620000000 4.113395335000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.544310330000002 Atomic positions (fractional): 1 O 0.27767727284032 0.22365555856742 0.25000000000000 15.999 2 O 0.72232272715968 0.77634444143258 0.75000000000000 15.999 3 O 0.22365555856742 0.27767727284032 0.75000000000000 15.999 4 O 0.77634444143258 0.72232272715968 0.25000000000000 15.999 5 O 0.75518444072544 0.24481555927456 0.03847923401933 15.999 6 O 0.24481555927456 0.75518444072544 0.53847923401933 15.999 7 O 0.24481555927456 0.75518444072544 0.96152076598067 15.999 8 O 0.75518444072544 0.24481555927456 0.46152076598067 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 11 Se 0.64837427724316 0.35162572275684 0.25000000000000 78.960 12 Se 0.35162572275684 0.64837427724316 0.75000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.896822480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.226790670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.088620660000004 Atomic positions (fractional): 1 O 0.12533320785194 0.97298914286355 0.12500000000000 15.999 > 1 2 O 0.62533320785194 0.97298914286355 0.12500000000000 15.999 > 1 3 O 0.12533320785194 0.97298914286355 0.62500000000000 15.999 > 1 4 O 0.62533320785194 0.97298914286355 0.62500000000000 15.999 > 1 5 O 0.37466679214806 0.02701085713645 0.37500000000000 15.999 > 5 6 O 0.87466679214806 0.02701085713645 0.37500000000000 15.999 > 5 7 O 0.37466679214806 0.02701085713645 0.87500000000000 15.999 > 5 8 O 0.87466679214806 0.02701085713645 0.87500000000000 15.999 > 5 9 O 0.12533320785194 0.02701085713645 0.37500000000000 15.999 > 9 10 O 0.62533320785194 0.02701085713645 0.37500000000000 15.999 > 9 11 O 0.12533320785194 0.02701085713645 0.87500000000000 15.999 > 9 12 O 0.62533320785194 0.02701085713645 0.87500000000000 15.999 > 9 13 O 0.37466679214806 0.97298914286355 0.12500000000000 15.999 > 13 14 O 0.87466679214806 0.97298914286355 0.12500000000000 15.999 > 13 15 O 0.37466679214806 0.97298914286355 0.62500000000000 15.999 > 13 16 O 0.87466679214806 0.97298914286355 0.62500000000000 15.999 > 13 17 O 0.25000000000000 0.74481555927456 0.01923961700966 15.999 > 17 18 O 0.75000000000000 0.74481555927456 0.01923961700966 15.999 > 17 19 O 0.25000000000000 0.74481555927456 0.51923961700966 15.999 > 17 20 O 0.75000000000000 0.74481555927456 0.51923961700966 15.999 > 17 21 O 0.25000000000000 0.25518444072544 0.26923961700966 15.999 > 21 22 O 0.75000000000000 0.25518444072544 0.26923961700966 15.999 > 21 23 O 0.25000000000000 0.25518444072544 0.76923961700966 15.999 > 21 24 O 0.75000000000000 0.25518444072544 0.76923961700966 15.999 > 21 25 O 0.25000000000000 0.25518444072544 0.48076038299034 15.999 > 25 26 O 0.75000000000000 0.25518444072544 0.48076038299034 15.999 > 25 27 O 0.25000000000000 0.25518444072544 0.98076038299034 15.999 > 25 28 O 0.75000000000000 0.25518444072544 0.98076038299034 15.999 > 25 29 O 0.25000000000000 0.74481555927456 0.23076038299034 15.999 > 29 30 O 0.75000000000000 0.74481555927456 0.23076038299034 15.999 > 29 31 O 0.25000000000000 0.74481555927456 0.73076038299034 15.999 > 29 32 O 0.75000000000000 0.74481555927456 0.73076038299034 15.999 > 29 33 O 0.37533320785194 0.47298914286355 0.12500000000000 15.999 > 1 34 O 0.87533320785194 0.47298914286355 0.12500000000000 15.999 > 1 35 O 0.37533320785194 0.47298914286355 0.62500000000000 15.999 > 1 36 O 0.87533320785194 0.47298914286355 0.62500000000000 15.999 > 1 37 O 0.12466679214806 0.52701085713645 0.37500000000000 15.999 > 5 38 O 0.62466679214806 0.52701085713645 0.37500000000000 15.999 > 5 39 O 0.12466679214806 0.52701085713645 0.87500000000000 15.999 > 5 40 O 0.62466679214806 0.52701085713645 0.87500000000000 15.999 > 5 41 O 0.37533320785194 0.52701085713645 0.37500000000000 15.999 > 9 42 O 0.87533320785194 0.52701085713645 0.37500000000000 15.999 > 9 43 O 0.37533320785194 0.52701085713645 0.87500000000000 15.999 > 9 44 O 0.87533320785194 0.52701085713645 0.87500000000000 15.999 > 9 45 O 0.12466679214806 0.47298914286355 0.12500000000000 15.999 > 13 46 O 0.62466679214806 0.47298914286355 0.12500000000000 15.999 > 13 47 O 0.12466679214806 0.47298914286355 0.62500000000000 15.999 > 13 48 O 0.62466679214806 0.47298914286355 0.62500000000000 15.999 > 13 49 O 0.00000000000000 0.24481555927456 0.01923961700966 15.999 > 17 50 O 0.50000000000000 0.24481555927456 0.01923961700966 15.999 > 17 51 O 0.00000000000000 0.24481555927456 0.51923961700966 15.999 > 17 52 O 0.50000000000000 0.24481555927456 0.51923961700966 15.999 > 17 53 O 0.00000000000000 0.75518444072544 0.26923961700966 15.999 > 21 54 O 0.50000000000000 0.75518444072544 0.26923961700966 15.999 > 21 55 O 0.00000000000000 0.75518444072544 0.76923961700966 15.999 > 21 56 O 0.50000000000000 0.75518444072544 0.76923961700966 15.999 > 21 57 O 0.00000000000000 0.75518444072544 0.48076038299034 15.999 > 25 58 O 0.50000000000000 0.75518444072544 0.48076038299034 15.999 > 25 59 O 0.00000000000000 0.75518444072544 0.98076038299034 15.999 > 25 60 O 0.50000000000000 0.75518444072544 0.98076038299034 15.999 > 25 61 O 0.00000000000000 0.24481555927456 0.23076038299034 15.999 > 29 62 O 0.50000000000000 0.24481555927456 0.23076038299034 15.999 > 29 63 O 0.00000000000000 0.24481555927456 0.73076038299034 15.999 > 29 64 O 0.50000000000000 0.24481555927456 0.73076038299034 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 Se 0.25000000000000 0.85162572275684 0.12500000000000 78.960 > 81 82 Se 0.75000000000000 0.85162572275684 0.12500000000000 78.960 > 81 83 Se 0.25000000000000 0.85162572275684 0.62500000000000 78.960 > 81 84 Se 0.75000000000000 0.85162572275684 0.62500000000000 78.960 > 81 85 Se 0.25000000000000 0.14837427724316 0.37500000000000 78.960 > 85 86 Se 0.75000000000000 0.14837427724316 0.37500000000000 78.960 > 85 87 Se 0.25000000000000 0.14837427724316 0.87500000000000 78.960 > 85 88 Se 0.75000000000000 0.14837427724316 0.87500000000000 78.960 > 85 89 Se 0.00000000000000 0.35162572275684 0.12500000000000 78.960 > 81 90 Se 0.50000000000000 0.35162572275684 0.12500000000000 78.960 > 81 91 Se 0.00000000000000 0.35162572275684 0.62500000000000 78.960 > 81 92 Se 0.50000000000000 0.35162572275684 0.62500000000000 78.960 > 81 93 Se 0.00000000000000 0.64837427724316 0.37500000000000 78.960 > 85 94 Se 0.50000000000000 0.64837427724316 0.37500000000000 78.960 > 85 95 Se 0.00000000000000 0.64837427724316 0.87500000000000 78.960 > 85 96 Se 0.50000000000000 0.64837427724316 0.87500000000000 78.960 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1622901 0.0000000 0.0000000 0.0000000 3.0027513 0.0000000 0.0000000 0.0000000 2.9898678 -------------------------- Born effective charges -------------------------- 1 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 2 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 3 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 4 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 5 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 6 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 7 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 8 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 9 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 -0.5769459 0.0000000 0.4642804 2.1726528 10 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 0.5769459 0.0000000 -0.4642804 2.1726528 11 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 12 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000009 (zyz) 0.00000009 (zyz) 0.00000009 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000006 (yz) -0.00000006 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:09:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:09:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.724205620000000 -4.113395335000001 0.000000000000000 b 2.724205620000000 4.113395335000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.544310330000002 Atomic positions (fractional): 1 O 0.27767727284032 0.22365555856742 0.25000000000000 15.999 2 O 0.72232272715968 0.77634444143258 0.75000000000000 15.999 3 O 0.22365555856742 0.27767727284032 0.75000000000000 15.999 4 O 0.77634444143258 0.72232272715968 0.25000000000000 15.999 5 O 0.75518444072544 0.24481555927456 0.03847923401933 15.999 6 O 0.24481555927456 0.75518444072544 0.53847923401933 15.999 7 O 0.24481555927456 0.75518444072544 0.96152076598067 15.999 8 O 0.75518444072544 0.24481555927456 0.46152076598067 15.999 9 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 11 Se 0.64837427724316 0.35162572275684 0.25000000000000 78.960 12 Se 0.35162572275684 0.64837427724316 0.75000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.896822480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.226790670000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.088620660000004 Atomic positions (fractional): 1 O 0.12533320785194 0.97298914286355 0.12500000000000 15.999 > 1 2 O 0.62533320785194 0.97298914286355 0.12500000000000 15.999 > 1 3 O 0.12533320785194 0.97298914286355 0.62500000000000 15.999 > 1 4 O 0.62533320785194 0.97298914286355 0.62500000000000 15.999 > 1 5 O 0.37466679214806 0.02701085713645 0.37500000000000 15.999 > 5 6 O 0.87466679214806 0.02701085713645 0.37500000000000 15.999 > 5 7 O 0.37466679214806 0.02701085713645 0.87500000000000 15.999 > 5 8 O 0.87466679214806 0.02701085713645 0.87500000000000 15.999 > 5 9 O 0.12533320785194 0.02701085713645 0.37500000000000 15.999 > 9 10 O 0.62533320785194 0.02701085713645 0.37500000000000 15.999 > 9 11 O 0.12533320785194 0.02701085713645 0.87500000000000 15.999 > 9 12 O 0.62533320785194 0.02701085713645 0.87500000000000 15.999 > 9 13 O 0.37466679214806 0.97298914286355 0.12500000000000 15.999 > 13 14 O 0.87466679214806 0.97298914286355 0.12500000000000 15.999 > 13 15 O 0.37466679214806 0.97298914286355 0.62500000000000 15.999 > 13 16 O 0.87466679214806 0.97298914286355 0.62500000000000 15.999 > 13 17 O 0.25000000000000 0.74481555927456 0.01923961700966 15.999 > 17 18 O 0.75000000000000 0.74481555927456 0.01923961700966 15.999 > 17 19 O 0.25000000000000 0.74481555927456 0.51923961700966 15.999 > 17 20 O 0.75000000000000 0.74481555927456 0.51923961700966 15.999 > 17 21 O 0.25000000000000 0.25518444072544 0.26923961700966 15.999 > 21 22 O 0.75000000000000 0.25518444072544 0.26923961700966 15.999 > 21 23 O 0.25000000000000 0.25518444072544 0.76923961700966 15.999 > 21 24 O 0.75000000000000 0.25518444072544 0.76923961700966 15.999 > 21 25 O 0.25000000000000 0.25518444072544 0.48076038299034 15.999 > 25 26 O 0.75000000000000 0.25518444072544 0.48076038299034 15.999 > 25 27 O 0.25000000000000 0.25518444072544 0.98076038299034 15.999 > 25 28 O 0.75000000000000 0.25518444072544 0.98076038299034 15.999 > 25 29 O 0.25000000000000 0.74481555927456 0.23076038299034 15.999 > 29 30 O 0.75000000000000 0.74481555927456 0.23076038299034 15.999 > 29 31 O 0.25000000000000 0.74481555927456 0.73076038299034 15.999 > 29 32 O 0.75000000000000 0.74481555927456 0.73076038299034 15.999 > 29 33 O 0.37533320785194 0.47298914286355 0.12500000000000 15.999 > 1 34 O 0.87533320785194 0.47298914286355 0.12500000000000 15.999 > 1 35 O 0.37533320785194 0.47298914286355 0.62500000000000 15.999 > 1 36 O 0.87533320785194 0.47298914286355 0.62500000000000 15.999 > 1 37 O 0.12466679214806 0.52701085713645 0.37500000000000 15.999 > 5 38 O 0.62466679214806 0.52701085713645 0.37500000000000 15.999 > 5 39 O 0.12466679214806 0.52701085713645 0.87500000000000 15.999 > 5 40 O 0.62466679214806 0.52701085713645 0.87500000000000 15.999 > 5 41 O 0.37533320785194 0.52701085713645 0.37500000000000 15.999 > 9 42 O 0.87533320785194 0.52701085713645 0.37500000000000 15.999 > 9 43 O 0.37533320785194 0.52701085713645 0.87500000000000 15.999 > 9 44 O 0.87533320785194 0.52701085713645 0.87500000000000 15.999 > 9 45 O 0.12466679214806 0.47298914286355 0.12500000000000 15.999 > 13 46 O 0.62466679214806 0.47298914286355 0.12500000000000 15.999 > 13 47 O 0.12466679214806 0.47298914286355 0.62500000000000 15.999 > 13 48 O 0.62466679214806 0.47298914286355 0.62500000000000 15.999 > 13 49 O 0.00000000000000 0.24481555927456 0.01923961700966 15.999 > 17 50 O 0.50000000000000 0.24481555927456 0.01923961700966 15.999 > 17 51 O 0.00000000000000 0.24481555927456 0.51923961700966 15.999 > 17 52 O 0.50000000000000 0.24481555927456 0.51923961700966 15.999 > 17 53 O 0.00000000000000 0.75518444072544 0.26923961700966 15.999 > 21 54 O 0.50000000000000 0.75518444072544 0.26923961700966 15.999 > 21 55 O 0.00000000000000 0.75518444072544 0.76923961700966 15.999 > 21 56 O 0.50000000000000 0.75518444072544 0.76923961700966 15.999 > 21 57 O 0.00000000000000 0.75518444072544 0.48076038299034 15.999 > 25 58 O 0.50000000000000 0.75518444072544 0.48076038299034 15.999 > 25 59 O 0.00000000000000 0.75518444072544 0.98076038299034 15.999 > 25 60 O 0.50000000000000 0.75518444072544 0.98076038299034 15.999 > 25 61 O 0.00000000000000 0.24481555927456 0.23076038299034 15.999 > 29 62 O 0.50000000000000 0.24481555927456 0.23076038299034 15.999 > 29 63 O 0.00000000000000 0.24481555927456 0.73076038299034 15.999 > 29 64 O 0.50000000000000 0.24481555927456 0.73076038299034 15.999 > 29 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 73 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 74 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 75 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 76 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 77 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 69 78 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 69 79 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 69 80 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 69 81 Se 0.25000000000000 0.85162572275684 0.12500000000000 78.960 > 81 82 Se 0.75000000000000 0.85162572275684 0.12500000000000 78.960 > 81 83 Se 0.25000000000000 0.85162572275684 0.62500000000000 78.960 > 81 84 Se 0.75000000000000 0.85162572275684 0.62500000000000 78.960 > 81 85 Se 0.25000000000000 0.14837427724316 0.37500000000000 78.960 > 85 86 Se 0.75000000000000 0.14837427724316 0.37500000000000 78.960 > 85 87 Se 0.25000000000000 0.14837427724316 0.87500000000000 78.960 > 85 88 Se 0.75000000000000 0.14837427724316 0.87500000000000 78.960 > 85 89 Se 0.00000000000000 0.35162572275684 0.12500000000000 78.960 > 81 90 Se 0.50000000000000 0.35162572275684 0.12500000000000 78.960 > 81 91 Se 0.00000000000000 0.35162572275684 0.62500000000000 78.960 > 81 92 Se 0.50000000000000 0.35162572275684 0.62500000000000 78.960 > 81 93 Se 0.00000000000000 0.64837427724316 0.37500000000000 78.960 > 85 94 Se 0.50000000000000 0.64837427724316 0.37500000000000 78.960 > 85 95 Se 0.00000000000000 0.64837427724316 0.87500000000000 78.960 > 85 96 Se 0.50000000000000 0.64837427724316 0.87500000000000 78.960 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1622901 0.0000000 0.0000000 0.0000000 3.0027513 0.0000000 0.0000000 0.0000000 2.9898678 -------------------------- Born effective charges -------------------------- 1 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 2 O -2.1021971 0.6429193 0.0000000 0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 3 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 4 O -2.1021971 -0.6429193 0.0000000 -0.5852860 -1.2471595 0.0000000 0.0000000 0.0000000 -1.2907784 5 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 6 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 7 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 -0.3922226 0.0000000 -0.5268109 -1.4340857 8 O -0.9164705 0.0000000 0.0000000 0.0000000 -1.6165229 0.3922226 0.0000000 0.5268109 -1.4340857 9 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 -0.5769459 0.0000000 0.4642804 2.1726528 10 Mg 2.5388585 0.0000000 0.0000000 0.0000000 2.4073336 0.5769459 0.0000000 -0.4642804 2.1726528 11 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 12 Se 3.4984766 0.0000000 0.0000000 0.0000000 3.3200313 0.0000000 0.0000000 0.0000000 3.2770754 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000009 (zyz) 0.00000009 (zyz) 0.00000009 (zzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.79, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 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 3.401 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.996 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 10.826 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.378 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 22.783 ( 0.000 0.000 0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 24.034 ( 0.000 0.000 0.000) 0.000 26.418 ( 0.000 0.000 0.000) 0.000 26.720 ( 0.000 0.000 0.000) 0.000 27.081 ( 0.000 0.000 0.000) 0.000 28.045 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 27.591 -23.207 0.000) 36.053 0.749 ( 19.243 -37.474 0.000) 42.126 1.263 ( 65.377 -14.576 0.000) 66.982 3.373 ( -3.913 -1.091 0.000) 4.062 4.639 ( 14.711 11.549 0.000) 18.703 4.824 ( 8.996 -3.463 0.000) 9.640 4.941 ( 10.935 1.987 0.000) 11.114 5.050 ( 9.741 2.124 0.000) 9.970 5.232 ( -0.728 -0.652 0.000) 0.977 5.717 ( 0.325 -3.176 0.000) 3.192 6.398 ( -3.710 7.809 0.000) 8.645 6.654 ( -9.068 5.495 0.000) 10.603 8.086 ( 5.571 1.268 0.000) 5.714 8.620 ( -2.839 -6.628 0.000) 7.210 8.717 ( 25.404 40.714 0.000) 47.990 10.034 ( 12.743 32.012 0.000) 34.455 10.177 ( 19.846 42.638 0.000) 47.031 10.910 ( -6.816 0.042 0.000) 6.816 11.016 ( -15.169 2.778 0.000) 15.421 11.056 ( -3.800 3.536 0.000) 5.191 11.469 ( -4.022 -4.119 0.000) 5.757 11.509 ( 11.084 6.943 0.000) 13.079 11.749 ( 3.970 -6.156 0.000) 7.325 11.769 ( 3.411 15.046 0.000) 15.428 12.072 ( 0.516 -11.183 0.000) 11.195 13.584 ( -55.746 -89.870 0.000) 105.755 14.274 ( 0.148 16.477 0.000) 16.478 15.099 ( -0.990 -17.746 0.000) 17.774 22.849 ( 7.202 -0.636 0.000) 7.230 23.832 ( 12.158 22.494 0.000) 25.570 23.965 ( 5.996 3.571 0.000) 6.978 25.118 ( 40.219 61.637 0.000) 73.598 26.453 ( 2.344 -2.507 0.000) 3.432 27.092 ( 1.158 -0.266 0.000) 1.188 27.506 ( -43.183 -62.420 0.000) 75.902 28.017 ( -2.526 1.202 0.000) 2.798 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 26.398 -21.714 0.000) 34.182 1.458 ( 18.725 -33.000 0.000) 37.943 2.491 ( 61.186 -15.851 0.000) 63.205 3.302 ( -6.208 -1.819 0.000) 6.469 4.758 ( 5.035 2.552 0.000) 5.645 4.961 ( 9.883 4.684 0.000) 10.937 5.094 ( 7.040 5.424 0.000) 8.887 5.293 ( 10.232 -2.962 0.000) 10.652 5.333 ( 23.525 -0.086 0.000) 23.525 5.824 ( 7.543 -6.496 0.000) 9.955 6.025 ( -17.695 19.420 0.000) 26.273 6.598 ( 1.285 -2.037 0.000) 2.408 8.118 ( 2.124 5.384 0.000) 5.788 8.622 ( -6.825 -5.712 0.000) 8.900 8.676 ( 9.763 20.020 0.000) 22.274 9.848 ( -16.508 19.933 0.000) 25.881 9.877 ( 7.317 26.192 0.000) 27.195 10.766 ( -12.197 -0.954 0.000) 12.234 10.829 ( -6.376 -5.331 0.000) 8.311 10.990 ( 0.589 3.984 0.000) 4.027 11.432 ( -6.446 -6.249 0.000) 8.978 11.586 ( 9.910 9.350 0.000) 13.625 11.673 ( 2.294 10.939 0.000) 11.177 11.895 ( 4.524 -5.433 0.000) 7.070 12.141 ( -3.522 -5.489 0.000) 6.522 13.672 ( -20.790 -41.107 0.000) 46.065 14.073 ( -0.657 17.874 0.000) 17.886 15.298 ( -1.067 -19.974 0.000) 20.003 23.019 ( 11.618 -0.463 0.000) 11.628 23.784 ( 2.475 8.153 0.000) 8.520 24.036 ( 5.298 0.882 0.000) 5.371 25.105 ( 19.002 29.956 0.000) 35.475 26.543 ( 3.918 -3.959 0.000) 5.570 27.126 ( 2.382 -0.612 0.000) 2.460 27.462 ( -21.828 -28.117 0.000) 35.595 27.937 ( -4.684 2.192 0.000) 5.172 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 23.721 -18.896 0.000) 30.328 2.092 ( 17.495 -26.689 0.000) 31.912 3.213 ( -6.545 -1.836 0.000) 6.798 3.636 ( 53.942 -16.156 0.000) 56.310 4.705 ( -5.973 3.416 0.000) 6.881 5.062 ( 6.222 3.304 0.000) 7.045 5.065 ( -1.259 4.799 0.000) 4.961 5.429 ( -9.970 20.747 0.000) 23.019 5.680 ( 12.114 -5.670 0.000) 13.375 5.780 ( 29.352 -0.304 0.000) 29.353 6.113 ( 16.299 -6.961 0.000) 17.723 6.669 ( 4.374 -1.331 0.000) 4.571 8.052 ( -1.568 6.412 0.000) 6.601 8.468 ( -14.341 2.238 0.000) 14.514 8.589 ( 1.552 13.882 0.000) 13.968 9.270 ( -28.087 13.850 0.000) 31.316 9.722 ( 6.817 21.696 0.000) 22.741 10.657 ( -6.139 -6.810 0.000) 9.169 10.736 ( -13.536 -5.722 0.000) 14.696 10.991 ( 4.192 3.578 0.000) 5.511 11.426 ( -3.750 -9.015 0.000) 9.764 11.606 ( 1.018 6.267 0.000) 6.349 11.649 ( 9.702 8.661 0.000) 13.005 12.003 ( 2.784 -3.066 0.000) 4.142 12.091 ( -5.335 -0.037 0.000) 5.335 13.782 ( -8.996 -22.884 0.000) 24.589 13.873 ( -1.700 14.289 0.000) 14.390 15.486 ( -0.775 -16.385 0.000) 16.403 23.222 ( 12.105 0.607 0.000) 12.120 23.737 ( -0.896 2.609 0.000) 2.759 24.119 ( 4.730 -0.521 0.000) 4.759 25.092 ( 11.138 17.926 0.000) 21.104 26.659 ( 4.409 -3.945 0.000) 5.916 27.186 ( 3.686 -1.087 0.000) 3.843 27.403 ( -14.018 -15.498 0.000) 20.897 27.817 ( -6.191 2.814 0.000) 6.800 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 16.348 -13.178 0.000) 20.998 2.617 ( 14.482 -19.028 0.000) 23.912 3.147 ( -2.640 -2.315 0.000) 3.512 4.472 ( 5.348 7.405 0.000) 9.135 4.655 ( 26.410 -13.751 0.000) 29.776 4.913 ( -11.238 14.505 0.000) 18.349 5.030 ( -6.289 5.932 0.000) 8.645 5.105 ( 1.557 -2.398 0.000) 2.859 6.085 ( 19.795 -9.817 0.000) 22.096 6.293 ( 29.763 -1.297 0.000) 29.791 6.446 ( 15.169 -3.545 0.000) 15.578 6.756 ( 6.240 2.503 0.000) 6.723 7.944 ( -2.777 5.571 0.000) 6.225 8.126 ( -19.200 6.195 0.000) 20.174 8.350 ( -17.687 11.060 0.000) 20.860 8.711 ( -17.906 9.682 0.000) 20.356 9.659 ( 11.053 15.820 0.000) 19.299 10.516 ( -18.679 -5.027 0.000) 19.344 10.681 ( -1.971 -7.722 0.000) 7.969 11.027 ( 3.586 2.427 0.000) 4.330 11.499 ( -1.439 -10.654 0.000) 10.750 11.570 ( 1.108 3.181 0.000) 3.368 11.716 ( 7.812 5.954 0.000) 9.823 11.987 ( -4.025 3.982 0.000) 5.662 12.060 ( 1.236 -1.351 0.000) 1.832 13.709 ( -2.082 9.188 0.000) 9.421 13.867 ( -4.016 -12.035 0.000) 12.688 15.626 ( -0.421 -10.508 0.000) 10.516 23.390 ( 9.213 1.689 0.000) 9.366 23.698 ( -2.096 -0.271 0.000) 2.113 24.198 ( 3.516 -0.978 0.000) 3.650 25.081 ( 6.190 10.067 0.000) 11.818 26.767 ( 3.723 -2.720 0.000) 4.611 27.274 ( 4.989 -1.678 0.000) 5.264 27.343 ( -8.692 -8.222 0.000) 11.964 27.674 ( -6.902 3.000 0.000) 7.526 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 1.957 -2.713 0.000) 3.345 2.956 ( 6.573 -7.833 0.000) 10.225 3.223 ( 4.652 -3.932 0.000) 6.091 4.319 ( -4.122 4.512 0.000) 6.112 4.592 ( -7.272 7.352 0.000) 10.341 4.951 ( -1.245 1.283 0.000) 1.788 5.013 ( 3.088 0.782 0.000) 3.185 5.358 ( 13.066 -9.281 0.000) 16.027 6.480 ( 10.546 -10.929 0.000) 15.188 6.618 ( 4.320 -3.175 0.000) 5.361 6.792 ( 4.014 7.741 0.000) 8.720 6.796 ( 23.210 1.325 0.000) 23.248 7.782 ( -11.874 3.061 0.000) 12.262 7.837 ( -23.406 5.295 0.000) 23.997 7.859 ( -1.469 2.336 0.000) 2.759 8.480 ( -3.548 4.225 0.000) 5.517 9.722 ( 9.478 7.066 0.000) 11.822 10.282 ( -12.288 -3.377 0.000) 12.744 10.727 ( -0.401 -3.182 0.000) 3.208 11.049 ( 1.246 0.871 0.000) 1.520 11.547 ( -0.543 -0.956 0.000) 1.100 11.603 ( 0.866 -4.241 0.000) 4.328 11.767 ( 3.118 2.051 0.000) 3.732 11.890 ( -1.556 3.691 0.000) 4.005 12.081 ( 0.317 -0.358 0.000) 0.478 13.612 ( -0.995 3.211 0.000) 3.362 13.911 ( -1.188 -3.780 0.000) 3.963 15.700 ( -0.127 -3.604 0.000) 3.606 23.483 ( 3.667 1.156 0.000) 3.845 23.675 ( -1.263 -0.723 0.000) 1.455 24.249 ( 1.327 -0.482 0.000) 1.412 25.076 ( 2.016 3.296 0.000) 3.864 26.834 ( 1.569 -0.928 0.000) 1.822 27.302 ( -3.125 -2.640 0.000) 4.091 27.389 ( 6.095 -2.286 0.000) 6.510 27.526 ( -6.808 2.780 0.000) 7.354 ======================= Grid point 12 (7/180) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 31.274 -0.000 0.000) 31.274 1.154 ( 33.898 -0.000 0.000) 33.898 2.315 ( 65.017 -0.000 0.000) 65.017 3.281 ( -5.953 0.000 0.000) 5.953 4.794 ( 2.891 -0.000 0.000) 2.891 4.991 ( 9.080 -0.000 0.000) 9.080 5.202 ( -1.994 0.000 0.000) 1.994 5.207 ( 18.579 -0.000 0.000) 18.579 5.365 ( 25.093 -0.000 0.000) 25.093 5.744 ( 6.782 -0.000 0.000) 6.782 6.367 ( -22.589 0.000 0.000) 22.589 6.455 ( 1.268 -0.000 0.000) 1.268 8.223 ( 6.730 -0.000 0.000) 6.730 8.514 ( -4.839 0.000 0.000) 4.839 8.932 ( -2.290 0.000 0.000) 2.290 9.927 ( -16.478 0.000 0.000) 16.478 10.659 ( -22.064 0.000 0.000) 22.064 10.731 ( -6.124 0.000 0.000) 6.124 10.753 ( -16.633 0.000 0.000) 16.633 11.141 ( 0.930 -0.000 0.000) 0.930 11.255 ( -10.551 0.000 0.000) 10.551 11.731 ( 8.855 -0.000 0.000) 8.855 11.788 ( 5.736 -0.000 0.000) 5.736 11.859 ( -4.567 0.000 0.000) 4.567 12.404 ( 17.318 -0.000 0.000) 17.318 12.541 ( 2.068 -0.000 0.000) 2.068 14.406 ( 1.923 -0.000 0.000) 1.923 14.952 ( -2.169 0.000 0.000) 2.169 23.014 ( 12.423 -0.000 0.000) 12.423 23.821 ( -5.919 0.000 0.000) 5.919 24.114 ( 4.160 -0.000 0.000) 4.160 25.877 ( -4.091 0.000 0.000) 4.091 26.561 ( 7.696 -0.000 0.000) 7.696 26.688 ( -1.564 0.000 0.000) 1.564 27.119 ( 2.286 -0.000 0.000) 2.286 27.962 ( -4.779 0.000 0.000) 4.779 ======================= Grid point 13 (8/180) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 30.222 -13.785 0.000) 33.217 1.755 ( 31.169 -8.225 0.000) 32.236 3.184 ( -5.951 -0.726 0.000) 5.995 3.375 ( 57.016 -6.386 0.000) 57.373 4.800 ( -0.295 4.029 0.000) 4.040 5.056 ( -1.552 -2.449 0.000) 2.899 5.149 ( -2.312 2.354 0.000) 3.300 5.552 ( 19.947 -2.452 0.000) 20.097 5.833 ( 30.968 3.855 0.000) 31.207 5.871 ( -24.327 13.477 0.000) 27.810 5.976 ( 17.449 -5.057 0.000) 18.167 6.543 ( 2.583 -7.332 0.000) 7.774 8.232 ( 0.364 7.936 0.000) 7.945 8.450 ( -7.671 -3.262 0.000) 8.336 8.849 ( -2.187 7.195 0.000) 7.521 9.474 ( -33.538 4.838 0.000) 33.885 10.262 ( -5.338 20.428 0.000) 21.114 10.518 ( -12.609 -4.129 0.000) 13.268 10.595 ( -14.741 -4.716 0.000) 15.477 11.070 ( 0.572 3.982 0.000) 4.023 11.236 ( -3.542 -8.833 0.000) 9.517 11.750 ( -4.846 3.803 0.000) 6.160 11.801 ( 5.792 5.424 0.000) 7.935 11.925 ( 4.922 -4.084 0.000) 6.396 12.291 ( 9.810 22.907 0.000) 24.920 13.063 ( 1.896 -39.401 0.000) 39.447 14.308 ( 2.432 20.806 0.000) 20.948 15.054 ( -1.162 -19.894 0.000) 19.927 23.239 ( 14.055 0.652 0.000) 14.070 23.719 ( -7.072 -1.876 0.000) 7.317 24.171 ( 4.707 2.515 0.000) 5.337 25.629 ( 1.226 25.263 0.000) 25.292 26.612 ( 5.462 1.166 0.000) 5.585 26.918 ( -3.801 -25.288 0.000) 25.572 27.169 ( 3.425 -0.411 0.000) 3.450 27.861 ( -6.447 1.058 0.000) 6.534 ======================= Grid point 14 (9/180) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 27.409 -13.255 0.000) 30.446 2.340 ( 26.139 -9.313 0.000) 27.748 3.109 ( -3.722 -1.143 0.000) 3.893 4.333 ( 44.892 -10.938 0.000) 46.206 4.685 ( -3.505 9.185 0.000) 9.831 5.041 ( -4.121 -4.298 0.000) 5.954 5.075 ( -2.601 3.471 0.000) 4.337 5.307 ( -23.885 14.112 0.000) 27.742 5.905 ( 16.026 -6.364 0.000) 17.243 6.234 ( 17.661 -3.304 0.000) 17.968 6.415 ( 29.028 0.235 0.000) 29.029 6.701 ( 7.573 -5.643 0.000) 9.445 8.116 ( -3.002 7.715 0.000) 8.279 8.245 ( -16.000 4.830 0.000) 16.713 8.625 ( -20.268 12.703 0.000) 23.920 8.869 ( -22.484 3.679 0.000) 22.783 10.031 ( 0.613 15.977 0.000) 15.989 10.351 ( -21.357 -7.906 0.000) 22.774 10.450 ( -5.708 -10.692 0.000) 12.120 11.077 ( 2.956 2.051 0.000) 3.598 11.308 ( 1.512 -7.342 0.000) 7.496 11.642 ( -3.392 2.442 0.000) 4.179 11.820 ( 2.383 3.652 0.000) 4.361 12.025 ( 3.146 -2.061 0.000) 3.761 12.214 ( 7.265 17.789 0.000) 19.215 13.439 ( 0.875 -25.916 0.000) 25.930 14.097 ( 2.848 23.583 0.000) 23.755 15.279 ( 0.365 -20.203 0.000) 20.207 23.434 ( 9.903 2.435 0.000) 10.198 23.645 ( -4.623 -3.988 0.000) 6.105 24.215 ( 3.359 1.735 0.000) 3.781 25.412 ( 1.127 18.199 0.000) 18.234 26.702 ( 3.579 -2.950 0.000) 4.639 27.083 ( -1.702 -14.177 0.000) 14.279 27.243 ( 4.552 -1.003 0.000) 4.661 27.729 ( -7.341 1.802 0.000) 7.559 ======================= Grid point 15 (10/180) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 14.068 -3.090 0.000) 14.404 2.784 ( 22.421 -7.043 0.000) 23.501 3.126 ( 4.294 -3.943 0.000) 5.830 4.466 ( -7.541 7.922 0.000) 10.938 4.796 ( -19.408 10.155 0.000) 21.904 5.000 ( -2.364 2.822 0.000) 3.681 5.017 ( -3.436 -2.934 0.000) 4.518 5.115 ( 31.003 -8.713 0.000) 32.204 6.214 ( 8.639 -11.731 0.000) 14.569 6.501 ( 7.490 -6.301 0.000) 9.788 6.845 ( 20.864 2.356 0.000) 20.996 6.891 ( 9.354 0.519 0.000) 9.368 7.854 ( -19.986 4.388 0.000) 20.462 7.989 ( -31.069 7.787 0.000) 32.030 7.997 ( -1.484 8.196 0.000) 8.329 8.619 ( -7.051 7.048 0.000) 9.970 9.849 ( -13.001 3.053 0.000) 13.354 10.169 ( -4.773 -4.692 0.000) 6.693 10.527 ( -1.819 -12.679 0.000) 12.809 11.093 ( 2.162 3.340 0.000) 3.978 11.433 ( 3.920 -5.267 0.000) 6.566 11.597 ( 0.022 -0.508 0.000) 0.509 11.795 ( -2.630 0.739 0.000) 2.732 12.081 ( 2.293 -0.058 0.000) 2.294 12.131 ( 5.930 17.278 0.000) 18.267 13.686 ( 1.285 -16.258 0.000) 16.308 13.904 ( 4.184 21.335 0.000) 21.741 15.491 ( 1.253 -15.088 0.000) 15.140 23.476 ( -2.590 -1.206 0.000) 2.857 23.677 ( 4.102 0.324 0.000) 4.115 24.243 ( 1.242 0.111 0.000) 1.247 25.250 ( -1.193 11.520 0.000) 11.582 26.782 ( 1.367 -3.624 0.000) 3.873 27.198 ( 2.404 -6.320 0.000) 6.761 27.343 ( 5.545 -1.743 0.000) 5.812 27.583 ( -7.411 2.147 0.000) 7.715 ======================= Grid point 16 (11/180) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 5.461 3.397 0.000) 6.432 3.101 ( 12.175 4.871 0.000) 13.113 3.262 ( 2.733 -0.786 0.000) 2.844 4.296 ( -3.598 2.681 0.000) 4.487 4.497 ( -7.934 -1.133 0.000) 8.015 4.951 ( -0.589 1.228 0.000) 1.362 4.990 ( -3.549 -1.995 0.000) 4.071 5.475 ( 3.866 1.697 0.000) 4.222 6.440 ( 1.385 -13.018 0.000) 13.092 6.604 ( -2.717 -3.758 0.000) 4.637 6.813 ( -22.862 2.175 0.000) 22.966 6.831 ( -12.345 10.752 0.000) 16.371 7.672 ( 2.105 -5.267 0.000) 5.672 7.770 ( 13.689 -0.721 0.000) 13.708 7.919 ( 1.567 5.209 0.000) 5.440 8.468 ( -2.901 3.041 0.000) 4.203 9.566 ( -20.751 -6.738 0.000) 21.817 10.271 ( 8.634 -4.190 0.000) 9.597 10.636 ( -0.868 -10.150 0.000) 10.187 11.075 ( 0.561 3.907 0.000) 3.947 11.502 ( -0.360 -2.484 0.000) 2.510 11.686 ( 8.795 -0.315 0.000) 8.800 11.712 ( -8.292 -2.309 0.000) 8.608 12.031 ( 4.562 16.148 0.000) 16.780 12.105 ( 1.719 1.556 0.000) 2.319 13.777 ( 5.988 16.770 0.000) 17.807 13.853 ( 2.414 -8.790 0.000) 9.115 15.646 ( 1.616 -8.439 0.000) 8.592 23.428 ( -5.716 -3.185 0.000) 6.543 23.712 ( 1.245 2.153 0.000) 2.487 24.255 ( 0.320 0.027 0.000) 0.321 25.110 ( -4.263 5.766 0.000) 7.171 26.822 ( -0.345 -1.899 0.000) 1.930 27.313 ( 6.385 -1.438 0.000) 6.545 27.438 ( -6.263 1.965 0.000) 6.564 27.467 ( 5.719 -2.384 0.000) 6.196 ======================= Grid point 17 (12/180) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -2.723 11.095 0.000) 11.424 3.049 ( -1.270 19.322 0.000) 19.364 3.211 ( -0.849 3.364 0.000) 3.470 4.312 ( 0.396 -6.062 0.000) 6.075 4.577 ( 5.386 -14.049 0.000) 15.046 4.887 ( -11.591 4.945 0.000) 12.602 4.956 ( 0.646 -1.770 0.000) 1.884 5.214 ( -20.020 8.148 0.000) 21.614 6.304 ( -27.952 0.145 0.000) 27.953 6.337 ( -20.897 12.836 0.000) 24.525 6.535 ( -9.902 3.422 0.000) 10.477 6.579 ( -6.890 -12.100 0.000) 13.925 7.880 ( 7.316 -3.015 0.000) 7.913 7.987 ( 12.707 -4.461 0.000) 13.467 8.148 ( 16.807 -7.530 0.000) 18.417 8.508 ( 7.873 -6.834 0.000) 10.426 9.363 ( -14.104 -10.975 0.000) 17.871 10.495 ( 9.522 -7.040 0.000) 11.842 10.711 ( -0.529 -5.383 0.000) 5.409 11.029 ( -0.947 3.530 0.000) 3.655 11.515 ( -0.430 -1.836 0.000) 1.885 11.575 ( -13.025 -5.637 0.000) 14.193 11.792 ( 7.937 13.192 0.000) 15.396 11.984 ( 7.762 4.996 0.000) 9.231 12.105 ( 1.055 2.765 0.000) 2.959 13.734 ( 6.956 10.763 0.000) 12.815 13.969 ( 4.339 -2.405 0.000) 4.960 15.728 ( 1.649 -1.406 0.000) 2.167 23.350 ( -7.383 -2.015 0.000) 7.653 23.677 ( -4.318 -1.244 0.000) 4.494 24.251 ( 0.908 2.862 0.000) 3.003 24.978 ( -7.524 0.262 0.000) 7.528 26.812 ( -1.220 1.236 0.000) 1.736 27.314 ( -5.584 1.817 0.000) 5.872 27.445 ( 9.684 1.552 0.000) 9.807 27.604 ( 6.344 -3.220 0.000) 7.115 ======================= Grid point 18 (13/180) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -15.236 20.549 0.000) 25.581 2.697 ( -8.654 27.147 0.000) 28.493 3.259 ( 7.451 2.094 0.000) 7.740 4.005 ( -41.580 14.517 0.000) 44.041 4.673 ( 5.932 1.106 0.000) 6.034 4.896 ( 7.951 -16.634 0.000) 18.437 4.933 ( -17.624 -6.669 0.000) 18.844 5.008 ( -0.146 -9.633 0.000) 9.634 5.849 ( -23.240 5.095 0.000) 23.792 5.861 ( -17.625 10.232 0.000) 20.379 6.269 ( -13.506 6.825 0.000) 15.133 6.573 ( -8.248 -9.111 0.000) 12.290 7.982 ( 5.051 -0.440 0.000) 5.070 8.327 ( -3.704 -9.006 0.000) 9.738 8.347 ( 16.841 -8.725 0.000) 18.968 8.890 ( 13.910 -18.269 0.000) 22.962 9.375 ( 1.921 -11.490 0.000) 11.650 10.707 ( 4.445 -8.440 0.000) 9.539 10.742 ( 0.556 -0.711 0.000) 0.903 10.980 ( 0.083 2.565 0.000) 2.567 11.423 ( -14.955 -10.268 0.000) 18.141 11.532 ( 0.552 -0.777 0.000) 0.953 11.696 ( 3.314 16.127 0.000) 16.463 12.078 ( 0.109 3.966 0.000) 3.968 12.138 ( 12.451 2.803 0.000) 12.763 13.762 ( 6.125 4.357 0.000) 7.517 14.062 ( 7.943 3.457 0.000) 8.663 15.732 ( 1.498 5.428 0.000) 5.631 23.218 ( -9.572 0.272 0.000) 9.576 23.610 ( -8.763 -6.621 0.000) 10.983 24.219 ( 1.522 6.655 0.000) 6.827 24.854 ( -10.329 -4.794 0.000) 11.387 26.756 ( -1.668 4.395 0.000) 4.701 27.214 ( -4.140 1.395 0.000) 4.369 27.604 ( 12.951 3.791 0.000) 13.495 27.744 ( 5.770 -3.630 0.000) 6.817 ======================= Grid point 19 (14/180) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -16.745 26.848 0.000) 31.641 2.178 ( -16.336 29.736 0.000) 33.928 2.992 ( -45.712 28.084 0.000) 53.650 3.357 ( 7.022 2.964 0.000) 7.622 4.665 ( -22.810 -7.905 0.000) 24.141 4.825 ( 5.789 -3.655 0.000) 6.846 4.965 ( -8.016 -6.214 0.000) 10.143 5.240 ( -1.783 -12.569 0.000) 12.695 5.417 ( -20.743 6.319 0.000) 21.684 5.683 ( 6.973 -5.645 0.000) 8.972 6.000 ( -7.048 8.846 0.000) 11.311 6.520 ( -8.893 -7.936 0.000) 11.919 8.057 ( 3.025 -0.353 0.000) 3.045 8.281 ( -16.262 -12.702 0.000) 20.635 8.669 ( 12.637 -2.601 0.000) 12.902 9.204 ( -3.177 -23.105 0.000) 23.323 9.688 ( 18.205 -9.196 0.000) 20.396 10.775 ( 3.650 -0.795 0.000) 3.735 10.805 ( -1.304 -6.690 0.000) 6.816 11.001 ( 3.895 1.235 0.000) 4.086 11.319 ( -13.522 -14.152 0.000) 19.574 11.534 ( -1.010 0.907 0.000) 1.358 11.606 ( 4.144 9.295 0.000) 10.177 12.017 ( -1.140 5.743 0.000) 5.855 12.287 ( 10.312 6.099 0.000) 11.981 13.835 ( 3.925 -2.244 0.000) 4.522 14.183 ( 15.410 8.355 0.000) 17.529 15.659 ( 1.203 11.630 0.000) 11.693 23.039 ( -10.149 1.404 0.000) 10.246 23.522 ( -13.900 -10.607 0.000) 17.485 24.155 ( 1.043 8.632 0.000) 8.695 24.739 ( -11.814 -7.756 0.000) 14.132 26.665 ( -1.797 6.493 0.000) 6.737 27.145 ( -2.649 0.994 0.000) 2.829 27.799 ( 16.913 5.576 0.000) 17.808 27.871 ( 4.435 -3.638 0.000) 5.736 ======================= Grid point 20 (15/180) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -13.294 33.114 0.000) 35.683 1.455 ( -35.106 24.537 0.000) 42.831 1.990 ( -22.119 45.752 0.000) 50.818 3.418 ( 4.146 2.955 0.000) 5.091 4.381 ( -21.570 -10.066 0.000) 23.803 4.858 ( -9.921 -5.369 0.000) 11.280 4.899 ( -0.901 2.685 0.000) 2.832 5.065 ( -10.369 3.595 0.000) 10.975 5.248 ( -0.485 0.100 0.000) 0.495 5.844 ( -1.094 7.899 0.000) 7.975 6.076 ( 14.558 -19.567 0.000) 24.389 6.467 ( -8.599 -9.930 0.000) 13.136 8.039 ( -31.268 -13.708 0.000) 34.141 8.081 ( 0.166 1.003 0.000) 1.017 8.796 ( 5.300 6.495 0.000) 8.383 9.352 ( -6.595 -19.772 0.000) 20.843 10.034 ( 10.236 -6.233 0.000) 11.984 10.890 ( 3.717 -6.674 0.000) 7.639 10.913 ( 8.420 -5.979 0.000) 10.327 11.028 ( 1.701 3.026 0.000) 3.471 11.276 ( -10.822 -14.035 0.000) 17.723 11.517 ( -1.899 -4.534 0.000) 4.916 11.597 ( 2.949 5.588 0.000) 6.318 11.914 ( -1.870 7.965 0.000) 8.181 12.324 ( 4.588 10.020 0.000) 11.021 13.943 ( 1.512 -9.212 0.000) 9.335 14.436 ( 27.088 8.203 0.000) 28.303 15.518 ( 0.717 16.690 0.000) 16.706 22.873 ( -7.219 1.338 0.000) 7.342 23.344 ( -22.952 -10.936 0.000) 25.424 24.070 ( 0.091 7.927 0.000) 7.928 24.630 ( -10.441 -6.292 0.000) 12.191 26.562 ( -1.318 6.872 0.000) 6.997 27.103 ( -1.256 0.686 0.000) 1.431 27.967 ( 2.433 -3.192 0.000) 4.014 28.055 ( 20.664 4.634 0.000) 21.178 ======================= Grid point 21 (16/180) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 30.451 0.000) 30.451 0.864 ( 0.000 38.329 0.000) 38.329 1.252 ( 0.000 55.433 0.000) 55.433 3.425 ( 0.000 2.183 0.000) 2.183 4.227 ( -0.000 -5.155 0.000) 5.155 4.770 ( 0.000 6.032 0.000) 6.032 4.817 ( -0.000 -3.492 0.000) 3.492 5.012 ( 0.000 1.205 0.000) 1.205 5.243 ( 0.000 0.482 0.000) 0.482 5.765 ( 0.000 5.548 0.000) 5.548 6.376 ( -0.000 -5.145 0.000) 5.145 6.549 ( -0.000 -21.669 0.000) 21.669 7.666 ( 0.000 2.018 0.000) 2.018 8.054 ( 0.000 2.283 0.000) 2.283 8.739 ( 0.000 9.669 0.000) 9.669 9.455 ( -0.000 -12.776 0.000) 12.776 10.147 ( -0.000 -0.769 0.000) 0.769 10.991 ( 0.000 3.864 0.000) 3.864 11.038 ( -0.000 -7.908 0.000) 7.908 11.121 ( -0.000 -8.775 0.000) 8.775 11.279 ( -0.000 -9.373 0.000) 9.373 11.555 ( 0.000 5.994 0.000) 5.994 11.593 ( -0.000 -11.849 0.000) 11.849 11.799 ( 0.000 8.615 0.000) 8.615 12.228 ( 0.000 13.090 0.000) 13.090 14.091 ( -0.000 -15.380 0.000) 15.380 14.802 ( -0.000 -6.165 0.000) 6.165 15.321 ( 0.000 19.663 0.000) 19.663 22.791 ( 0.000 0.726 0.000) 0.726 23.070 ( 0.000 2.044 0.000) 2.044 23.994 ( 0.000 5.799 0.000) 5.799 24.561 ( -0.000 -1.453 0.000) 1.453 26.481 ( 0.000 5.414 0.000) 5.414 27.087 ( 0.000 0.465 0.000) 0.465 28.018 ( -0.000 -2.334 0.000) 2.334 28.311 ( -0.000 -3.938 0.000) 3.938 ======================= Grid point 24 (17/180) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 34.016 -0.000 0.000) 34.016 2.230 ( 29.897 -0.000 0.000) 29.897 3.097 ( -3.797 0.000 0.000) 3.797 4.205 ( 45.071 -0.000 0.000) 45.071 4.855 ( 3.460 -0.000 0.000) 3.460 4.930 ( -8.989 0.000 0.000) 8.989 5.116 ( -3.024 0.000 0.000) 3.024 5.494 ( -28.218 0.000 0.000) 28.218 5.822 ( 13.168 -0.000 0.000) 13.168 6.191 ( 13.380 -0.000 0.000) 13.380 6.422 ( 32.702 -0.000 0.000) 32.702 6.615 ( 11.103 -0.000 0.000) 11.103 8.202 ( -10.443 0.000 0.000) 10.443 8.318 ( -6.736 0.000 0.000) 6.736 8.838 ( -3.699 0.000 0.000) 3.699 8.855 ( -41.993 0.000 0.000) 41.993 10.239 ( -23.712 0.000 0.000) 23.712 10.247 ( -6.681 0.000 0.000) 6.681 10.313 ( -7.688 0.000 0.000) 7.688 11.122 ( 5.633 -0.000 0.000) 5.633 11.193 ( 2.321 -0.000 0.000) 2.321 11.668 ( -6.152 0.000 0.000) 6.152 11.870 ( -1.032 0.000 0.000) 1.032 11.989 ( 5.555 -0.000 0.000) 5.555 12.670 ( 5.741 -0.000 0.000) 5.741 12.885 ( 11.480 -0.000 0.000) 11.480 14.545 ( 6.807 -0.000 0.000) 6.807 14.878 ( -1.863 0.000 0.000) 1.863 23.480 ( 13.513 -0.000 0.000) 13.513 23.577 ( -7.902 0.000 0.000) 7.902 24.239 ( 2.075 -0.000 0.000) 2.075 25.688 ( -7.316 0.000 0.000) 7.316 26.651 ( -0.050 0.000 0.000) 0.050 26.875 ( 10.465 -0.000 0.000) 10.465 27.232 ( 4.393 -0.000 0.000) 4.393 27.749 ( -7.507 0.000 0.000) 7.507 ======================= Grid point 25 (18/180) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 32.146 -2.757 0.000) 32.264 2.708 ( 24.311 -1.790 0.000) 24.377 3.069 ( 0.547 -1.192 0.000) 1.312 4.634 ( -1.807 6.724 0.000) 6.963 4.824 ( -0.002 -8.588 0.000) 8.588 4.974 ( -25.429 4.161 0.000) 25.767 5.070 ( -4.503 3.168 0.000) 5.505 5.085 ( 26.956 0.619 0.000) 26.963 6.003 ( 5.393 -6.027 0.000) 8.087 6.384 ( 7.496 -3.267 0.000) 8.177 6.866 ( 15.901 -1.315 0.000) 15.955 6.883 ( 19.982 0.952 0.000) 20.005 7.931 ( -20.519 1.904 0.000) 20.607 8.136 ( -36.934 4.264 0.000) 37.179 8.168 ( -6.347 5.380 0.000) 8.320 8.740 ( -6.458 3.089 0.000) 7.159 9.827 ( -26.611 -2.707 0.000) 26.748 10.143 ( -3.261 0.949 0.000) 3.396 10.280 ( -1.582 -7.170 0.000) 7.342 11.197 ( 5.961 5.437 0.000) 8.068 11.325 ( 9.123 -4.783 0.000) 10.301 11.572 ( -5.018 -1.100 0.000) 5.138 11.806 ( -5.836 0.313 0.000) 5.844 12.075 ( 4.222 -0.254 0.000) 4.229 12.599 ( 8.843 22.949 0.000) 24.594 13.233 ( 6.086 -22.699 0.000) 23.501 14.455 ( 6.030 26.180 0.000) 26.865 15.059 ( 1.937 -22.859 0.000) 22.941 23.453 ( -6.629 -0.603 0.000) 6.656 23.678 ( 8.890 -0.088 0.000) 8.891 24.249 ( -0.176 0.265 0.000) 0.318 25.502 ( -7.610 8.307 0.000) 11.266 26.689 ( 1.524 -3.695 0.000) 3.996 27.073 ( 9.474 -3.603 0.000) 10.136 27.316 ( 5.221 -0.649 0.000) 5.261 27.616 ( -7.770 0.805 0.000) 7.812 ======================= Grid point 26 (19/180) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 10.326 4.306 0.000) 11.188 3.174 ( 26.102 1.974 0.000) 26.177 3.198 ( 9.286 -4.459 0.000) 10.302 4.422 ( -8.844 7.913 0.000) 11.867 4.519 ( -20.889 2.144 0.000) 20.999 4.886 ( -3.157 -7.683 0.000) 8.306 4.997 ( -2.066 2.508 0.000) 3.250 5.496 ( 15.686 1.409 0.000) 15.749 6.153 ( 1.333 -11.008 0.000) 11.089 6.498 ( -0.708 -4.938 0.000) 4.988 6.857 ( -22.970 1.519 0.000) 23.020 7.048 ( 1.422 7.474 0.000) 7.608 7.581 ( -12.425 -2.667 0.000) 12.708 7.790 ( 4.396 1.833 0.000) 4.763 8.030 ( -3.334 4.089 0.000) 5.276 8.572 ( -7.175 4.895 0.000) 8.686 9.437 ( -23.954 -4.543 0.000) 24.381 10.150 ( 1.255 -5.288 0.000) 5.435 10.380 ( 0.678 -10.550 0.000) 10.572 11.211 ( 3.633 7.343 0.000) 8.193 11.452 ( -0.404 -1.989 0.000) 2.030 11.635 ( 11.431 -3.496 0.000) 11.954 11.676 ( -10.142 -0.998 0.000) 10.191 12.134 ( 3.256 0.884 0.000) 3.374 12.486 ( 7.910 23.268 0.000) 24.576 13.544 ( 4.125 -18.434 0.000) 18.890 14.268 ( 6.625 25.741 0.000) 26.579 15.340 ( 3.338 -18.751 0.000) 19.046 23.367 ( -5.549 -2.039 0.000) 5.912 23.753 ( 0.285 1.382 0.000) 1.411 24.252 ( 1.177 -0.255 0.000) 1.204 25.278 ( -8.321 7.789 0.000) 11.398 26.762 ( 2.311 -3.032 0.000) 3.812 27.261 ( 9.125 -2.542 0.000) 9.473 27.420 ( 5.729 -1.474 0.000) 5.916 27.478 ( -7.231 1.242 0.000) 7.337 ======================= Grid point 27 (20/180) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 8.398 7.101 0.000) 10.998 3.280 ( -2.007 2.297 0.000) 3.050 3.434 ( 13.458 14.453 0.000) 19.748 4.236 ( -6.140 0.027 0.000) 6.140 4.322 ( -5.595 -8.712 0.000) 10.354 4.893 ( -3.937 -3.752 0.000) 5.439 4.944 ( -2.193 0.587 0.000) 2.270 5.395 ( -24.147 6.774 0.000) 25.079 6.278 ( -2.639 -12.640 0.000) 12.912 6.313 ( -20.168 0.994 0.000) 20.193 6.570 ( -7.765 -0.439 0.000) 7.778 6.665 ( -22.131 15.705 0.000) 27.138 7.704 ( 9.804 -11.229 0.000) 14.906 7.980 ( 1.054 1.199 0.000) 1.596 8.011 ( 13.722 -4.680 0.000) 14.498 8.448 ( -1.912 0.838 0.000) 2.088 9.169 ( -14.194 -6.575 0.000) 15.642 10.284 ( 3.739 -10.162 0.000) 10.827 10.509 ( 0.357 -10.424 0.000) 10.431 11.147 ( -2.090 5.992 0.000) 6.346 11.479 ( 2.145 -1.453 0.000) 2.591 11.493 ( -13.740 -2.081 0.000) 13.897 11.898 ( 16.229 0.089 0.000) 16.229 12.165 ( 2.627 2.337 0.000) 3.516 12.342 ( 5.402 22.817 0.000) 23.448 13.786 ( 3.870 -13.606 0.000) 14.145 14.119 ( 7.434 22.301 0.000) 23.507 15.570 ( 3.290 -12.527 0.000) 12.952 23.306 ( -4.670 -1.789 0.000) 5.001 23.664 ( -8.986 0.036 0.000) 8.986 24.297 ( 4.271 1.187 0.000) 4.433 25.054 ( -9.837 5.325 0.000) 11.186 26.822 ( 2.496 -0.200 0.000) 2.504 27.350 ( -6.153 1.387 0.000) 6.308 27.438 ( 9.520 -1.594 0.000) 9.652 27.539 ( 5.853 -2.430 0.000) 6.338 ======================= Grid point 28 (21/180) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -9.349 15.953 0.000) 18.491 3.275 ( -4.715 24.961 0.000) 25.403 3.301 ( 8.627 1.763 0.000) 8.805 4.163 ( -12.038 -0.168 0.000) 12.039 4.475 ( 3.955 -17.777 0.000) 18.211 4.765 ( -33.438 1.792 0.000) 33.486 4.831 ( -4.121 1.571 0.000) 4.411 4.901 ( -5.191 -3.047 0.000) 6.019 5.972 ( -18.437 5.492 0.000) 19.237 6.132 ( -19.197 13.800 0.000) 23.643 6.336 ( -6.465 -10.310 0.000) 12.169 6.401 ( -9.337 4.840 0.000) 10.517 7.982 ( 7.286 -1.860 0.000) 7.520 8.086 ( 9.868 -13.285 0.000) 16.549 8.181 ( -1.927 -4.955 0.000) 5.317 8.553 ( 6.238 -10.846 0.000) 12.512 9.159 ( 4.416 -8.367 0.000) 9.461 10.471 ( 3.416 -11.531 0.000) 12.026 10.616 ( -0.361 -8.868 0.000) 8.875 11.029 ( -6.311 1.487 0.000) 6.484 11.272 ( -15.903 -3.318 0.000) 16.245 11.547 ( 5.791 1.750 0.000) 6.050 12.109 ( 9.534 16.128 0.000) 18.736 12.170 ( 2.021 3.910 0.000) 4.402 12.210 ( 9.161 7.960 0.000) 12.136 13.983 ( 4.809 -9.583 0.000) 10.722 14.022 ( 7.224 17.643 0.000) 19.065 15.723 ( 2.658 -6.045 0.000) 6.604 23.230 ( -5.950 0.716 0.000) 5.993 23.496 ( -12.141 -3.528 0.000) 12.643 24.347 ( 4.874 4.257 0.000) 6.471 24.836 ( -11.028 2.261 0.000) 11.258 26.843 ( 1.940 3.330 0.000) 3.854 27.245 ( -4.659 1.260 0.000) 4.826 27.619 ( 10.301 -1.476 0.000) 10.406 27.665 ( 5.332 -3.279 0.000) 6.260 ======================= Grid point 29 (22/180) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -10.952 22.324 0.000) 24.866 2.759 ( -25.264 23.415 0.000) 34.447 3.427 ( 8.574 3.329 0.000) 9.198 3.629 ( -23.212 27.105 0.000) 35.686 4.430 ( -22.813 -11.612 0.000) 25.598 4.785 ( -0.419 -19.860 0.000) 19.865 4.817 ( 5.989 1.364 0.000) 6.143 4.835 ( -3.477 -9.304 0.000) 9.933 5.568 ( -20.782 6.709 0.000) 21.838 5.769 ( -7.000 9.947 0.000) 12.163 6.196 ( -5.277 8.638 0.000) 10.122 6.312 ( -9.246 -9.585 0.000) 13.318 8.069 ( 4.336 0.753 0.000) 4.401 8.114 ( -10.547 -3.449 0.000) 11.097 8.471 ( 13.160 -15.742 0.000) 20.518 8.764 ( 0.086 -16.782 0.000) 16.783 9.474 ( 18.036 -9.759 0.000) 20.507 10.624 ( 0.445 -9.276 0.000) 9.286 10.695 ( -0.386 -6.823 0.000) 6.834 10.937 ( -6.077 -5.300 0.000) 8.064 11.060 ( -15.232 -6.907 0.000) 16.725 11.620 ( 7.007 5.241 0.000) 8.750 11.936 ( 0.946 19.734 0.000) 19.757 12.145 ( 1.176 5.541 0.000) 5.664 12.390 ( 12.201 3.195 0.000) 12.613 13.963 ( 5.537 12.584 0.000) 13.749 14.172 ( 7.018 -7.364 0.000) 10.172 15.792 ( 1.806 0.293 0.000) 1.829 23.079 ( -9.522 2.160 0.000) 9.764 23.361 ( -9.705 -4.443 0.000) 10.673 24.349 ( 2.903 7.952 0.000) 8.466 24.651 ( -9.663 -1.106 0.000) 9.726 26.812 ( 0.894 6.458 0.000) 6.519 27.168 ( -3.017 1.036 0.000) 3.190 27.785 ( 4.121 -3.885 0.000) 5.663 27.817 ( 10.905 -2.363 0.000) 11.158 ======================= Grid point 30 (23/180) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -34.978 22.119 0.000) 41.385 2.099 ( -7.563 29.249 0.000) 30.211 2.994 ( -6.922 42.782 0.000) 43.338 3.498 ( 4.706 4.094 0.000) 6.237 4.181 ( -18.139 -8.581 0.000) 20.067 4.711 ( -9.778 -7.730 0.000) 12.465 4.930 ( 6.091 0.075 0.000) 6.091 5.129 ( 3.727 -14.937 0.000) 15.395 5.182 ( -15.053 6.198 0.000) 16.279 5.722 ( 5.180 -6.231 0.000) 8.103 6.042 ( -1.483 9.413 0.000) 9.530 6.255 ( -9.112 -8.736 0.000) 12.624 7.922 ( -13.804 0.199 0.000) 13.805 8.112 ( 2.085 1.336 0.000) 2.476 8.801 ( 8.728 -8.043 0.000) 11.869 8.941 ( -1.415 -17.721 0.000) 17.777 9.860 ( 13.219 -8.697 0.000) 15.823 10.708 ( -0.387 -8.856 0.000) 8.864 10.770 ( 1.493 -6.997 0.000) 7.154 10.949 ( -10.740 -12.595 0.000) 16.552 10.953 ( -3.000 -9.641 0.000) 10.097 11.628 ( 3.503 11.989 0.000) 12.490 11.768 ( 0.953 10.678 0.000) 10.721 12.085 ( 0.208 7.284 0.000) 7.287 12.499 ( 6.333 5.773 0.000) 8.570 13.924 ( 2.786 6.960 0.000) 7.497 14.393 ( 8.926 -8.544 0.000) 12.356 15.777 ( 0.891 6.335 0.000) 6.397 22.904 ( -8.007 1.441 0.000) 8.136 23.243 ( -8.253 -0.611 0.000) 8.276 24.268 ( -0.434 9.211 0.000) 9.221 24.551 ( -4.655 -1.863 0.000) 5.014 26.735 ( 0.004 8.325 0.000) 8.325 27.121 ( -1.428 0.842 0.000) 1.658 27.884 ( 2.281 -4.106 0.000) 4.697 28.030 ( 9.424 -4.568 0.000) 10.473 ======================= Grid point 31 (24/180) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 27.085 0.000) 27.085 1.674 ( 0.000 34.324 0.000) 34.324 2.423 ( 0.000 49.938 0.000) 49.938 3.493 ( 0.000 3.816 0.000) 3.816 4.094 ( -0.000 -6.648 0.000) 6.648 4.703 ( -0.000 -6.673 0.000) 6.673 4.926 ( 0.000 7.584 0.000) 7.584 5.030 ( 0.000 0.003 0.000) 0.003 5.237 ( -0.000 -2.724 0.000) 2.724 5.930 ( 0.000 8.856 0.000) 8.856 5.999 ( -0.000 -24.216 0.000) 24.216 6.237 ( -0.000 -6.820 0.000) 6.820 7.736 ( 0.000 4.416 0.000) 4.416 8.108 ( 0.000 2.227 0.000) 2.227 8.903 ( 0.000 2.353 0.000) 2.353 9.117 ( -0.000 -16.889 0.000) 16.889 10.055 ( -0.000 -6.632 0.000) 6.632 10.829 ( -0.000 -10.688 0.000) 10.688 10.922 ( -0.000 -8.564 0.000) 8.564 10.975 ( -0.000 -16.361 0.000) 16.361 11.017 ( -0.000 -5.717 0.000) 5.717 11.514 ( 0.000 8.364 0.000) 8.364 11.701 ( 0.000 6.832 0.000) 6.832 11.996 ( 0.000 8.653 0.000) 8.653 12.470 ( 0.000 8.597 0.000) 8.597 13.907 ( -0.000 -0.199 0.000) 0.199 14.608 ( -0.000 -11.092 0.000) 11.092 15.683 ( 0.000 11.917 0.000) 11.917 22.814 ( 0.000 1.245 0.000) 1.245 23.132 ( 0.000 3.411 0.000) 3.411 24.162 ( 0.000 8.723 0.000) 8.723 24.526 ( -0.000 -1.313 0.000) 1.313 26.639 ( 0.000 8.444 0.000) 8.444 27.100 ( 0.000 0.734 0.000) 0.734 27.948 ( -0.000 -3.869 0.000) 3.869 28.191 ( -0.000 -6.639 0.000) 6.639 ======================= Grid point 36 (25/180) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 18.622 -0.000 0.000) 18.622 3.103 ( 4.873 -0.000 0.000) 4.873 3.195 ( 30.698 -0.000 0.000) 30.698 4.549 ( -25.769 0.000 0.000) 25.769 4.574 ( -11.487 0.000 0.000) 11.487 4.729 ( -0.392 0.000 0.000) 0.392 5.032 ( -2.910 0.000 0.000) 2.910 5.522 ( 18.394 -0.000 0.000) 18.394 6.019 ( 1.655 -0.000 0.000) 1.655 6.433 ( 0.514 -0.000 0.000) 0.514 6.874 ( -23.398 0.000 0.000) 23.398 7.132 ( 14.699 -0.000 0.000) 14.699 7.554 ( -25.117 0.000 0.000) 25.117 7.817 ( 0.469 -0.000 0.000) 0.469 8.078 ( -6.692 0.000 0.000) 6.692 8.632 ( -8.463 0.000 0.000) 8.463 9.384 ( -23.357 0.000 0.000) 23.357 10.085 ( -2.350 0.000 0.000) 2.350 10.252 ( 2.488 -0.000 0.000) 2.488 11.326 ( 6.177 -0.000 0.000) 6.177 11.418 ( -5.415 0.000 0.000) 5.415 11.578 ( 15.358 -0.000 0.000) 15.358 11.665 ( -10.589 0.000 0.000) 10.589 12.144 ( 3.857 -0.000 0.000) 3.857 12.925 ( 9.370 -0.000 0.000) 9.370 13.159 ( 4.545 -0.000 0.000) 4.545 14.840 ( -0.451 0.000 0.000) 0.451 14.850 ( 10.798 -0.000 0.000) 10.798 23.344 ( -5.378 0.000 0.000) 5.378 23.769 ( 0.158 -0.000 0.000) 0.158 24.248 ( 1.243 -0.000 0.000) 1.243 25.378 ( -11.339 0.000 0.000) 11.339 26.721 ( 4.454 -0.000 0.000) 4.454 27.228 ( 10.360 -0.000 0.000) 10.360 27.403 ( 5.607 -0.000 0.000) 5.607 27.492 ( -7.465 0.000 0.000) 7.465 ======================= Grid point 37 (26/180) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 10.315 3.909 0.000) 11.031 3.294 ( 3.747 -0.882 0.000) 3.850 3.643 ( 24.398 4.275 0.000) 24.770 4.197 ( -15.122 -2.690 0.000) 15.359 4.330 ( -12.137 6.778 0.000) 13.901 4.745 ( -4.656 -7.780 0.000) 9.067 4.966 ( -4.635 0.842 0.000) 4.711 5.497 ( -23.429 2.422 0.000) 23.553 6.066 ( -0.127 -5.466 0.000) 5.467 6.353 ( -11.413 2.070 0.000) 11.599 6.529 ( -8.096 -2.285 0.000) 8.412 7.022 ( -19.176 15.474 0.000) 24.640 7.420 ( 2.641 -13.666 0.000) 13.919 7.947 ( 9.367 -1.268 0.000) 9.453 7.996 ( -1.854 0.286 0.000) 1.876 8.488 ( -6.389 1.529 0.000) 6.570 9.077 ( -13.755 -1.838 0.000) 13.877 10.107 ( 2.054 -4.719 0.000) 5.147 10.334 ( 3.535 -4.362 0.000) 5.614 11.254 ( -9.113 2.952 0.000) 9.579 11.454 ( 7.293 -0.664 0.000) 7.323 11.466 ( -13.349 -0.511 0.000) 13.359 11.885 ( 18.598 -0.644 0.000) 18.609 12.200 ( 3.403 0.793 0.000) 3.494 12.874 ( 6.596 24.035 0.000) 24.924 13.397 ( 3.749 -20.663 0.000) 21.000 14.646 ( 4.488 23.505 0.000) 23.929 15.201 ( 6.324 -19.617 0.000) 20.612 23.278 ( -3.018 -0.640 0.000) 3.085 23.669 ( -10.932 0.216 0.000) 10.934 24.310 ( 5.662 0.200 0.000) 5.665 25.157 ( -12.579 2.940 0.000) 12.918 26.814 ( 5.800 -0.307 0.000) 5.808 27.372 ( -6.507 0.519 0.000) 6.528 27.402 ( 9.515 -1.153 0.000) 9.585 27.502 ( 5.578 -0.901 0.000) 5.650 ======================= Grid point 38 (27/180) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -9.842 6.117 0.000) 11.588 3.353 ( 12.252 3.634 0.000) 12.779 3.791 ( 0.167 21.091 0.000) 21.092 4.104 ( -4.362 -2.802 0.000) 5.184 4.154 ( -0.769 -10.693 0.000) 10.721 4.634 ( -28.380 -9.870 0.000) 30.047 4.854 ( -9.139 -1.293 0.000) 9.230 4.977 ( -16.922 5.668 0.000) 17.846 6.077 ( -17.807 3.791 0.000) 18.206 6.111 ( -3.462 -6.871 0.000) 7.694 6.477 ( -2.878 2.102 0.000) 3.564 6.520 ( -16.367 18.275 0.000) 24.533 7.651 ( 3.053 -20.253 0.000) 20.482 8.013 ( 3.254 -0.110 0.000) 3.255 8.089 ( 2.809 -3.188 0.000) 4.249 8.424 ( -0.953 -1.831 0.000) 2.064 9.011 ( 2.963 -4.694 0.000) 5.551 10.241 ( 4.556 -8.307 0.000) 9.475 10.444 ( 2.684 -5.528 0.000) 6.145 11.049 ( -12.983 0.421 0.000) 12.990 11.237 ( -14.625 -0.526 0.000) 14.634 11.592 ( 9.671 1.875 0.000) 9.851 12.187 ( 16.940 0.266 0.000) 16.942 12.238 ( 2.927 2.102 0.000) 3.603 12.678 ( 2.534 24.511 0.000) 24.641 13.674 ( 3.672 -17.785 0.000) 18.160 14.475 ( 5.099 21.871 0.000) 22.457 15.484 ( 4.739 -14.737 0.000) 15.480 23.245 ( -1.863 0.557 0.000) 1.944 23.447 ( -14.685 -1.170 0.000) 14.732 24.406 ( 6.360 1.407 0.000) 6.514 24.908 ( -12.794 3.256 0.000) 13.201 26.902 ( 5.404 1.973 0.000) 5.752 27.267 ( -5.071 0.742 0.000) 5.125 27.571 ( 8.631 -2.243 0.000) 8.917 27.606 ( 5.013 -1.924 0.000) 5.369 ======================= Grid point 39 (28/180) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -9.502 11.029 0.000) 14.558 3.227 ( -33.869 18.953 0.000) 38.811 3.510 ( 10.905 4.441 0.000) 11.775 4.106 ( 0.195 13.809 0.000) 13.810 4.186 ( -24.185 -9.180 0.000) 25.868 4.337 ( 3.229 -17.157 0.000) 17.458 4.697 ( -13.142 -5.119 0.000) 14.103 4.855 ( 0.605 1.979 0.000) 2.069 5.694 ( -21.383 4.390 0.000) 21.829 6.049 ( -6.969 9.290 0.000) 11.613 6.160 ( -7.590 2.193 0.000) 7.901 6.368 ( -3.577 6.588 0.000) 7.496 7.988 ( 6.231 -26.165 0.000) 26.897 8.079 ( 3.701 -0.395 0.000) 3.722 8.089 ( -3.612 0.500 0.000) 3.647 8.479 ( -0.486 -8.813 0.000) 8.826 9.273 ( 17.579 -8.068 0.000) 19.342 10.414 ( 3.682 -9.097 0.000) 9.814 10.541 ( 1.634 -5.458 0.000) 5.698 10.828 ( -14.903 -3.967 0.000) 15.422 10.999 ( -14.058 -0.281 0.000) 14.061 11.726 ( 10.106 4.079 0.000) 10.898 12.249 ( 2.151 3.683 0.000) 4.265 12.426 ( -0.846 23.171 0.000) 23.186 12.433 ( 13.206 1.310 0.000) 13.271 13.914 ( 3.529 -15.090 0.000) 15.498 14.330 ( 4.618 19.302 0.000) 19.846 15.683 ( 2.954 -9.602 0.000) 10.046 23.128 ( -10.812 2.121 0.000) 11.018 23.299 ( -4.113 -1.676 0.000) 4.442 24.477 ( 4.954 3.526 0.000) 6.081 24.671 ( -11.262 2.377 0.000) 11.510 26.940 ( 3.695 5.004 0.000) 6.221 27.188 ( -3.371 0.765 0.000) 3.457 27.708 ( 3.847 -2.912 0.000) 4.824 27.741 ( 7.604 -3.869 0.000) 8.531 ======================= Grid point 40 (29/180) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -33.130 18.546 0.000) 37.968 2.638 ( -5.111 18.373 0.000) 19.071 3.598 ( 5.718 5.070 0.000) 7.642 3.813 ( -0.406 27.968 0.000) 27.971 4.002 ( -14.040 -5.190 0.000) 14.968 4.524 ( -8.071 -9.622 0.000) 12.559 4.666 ( 2.084 -21.121 0.000) 21.223 4.906 ( 4.507 -1.938 0.000) 4.906 5.316 ( -15.732 5.608 0.000) 16.702 5.823 ( -1.847 12.394 0.000) 12.531 6.094 ( -5.875 -5.658 0.000) 8.157 6.238 ( -2.003 7.907 0.000) 8.156 7.984 ( -4.932 4.644 0.000) 6.775 8.129 ( 2.138 0.162 0.000) 2.144 8.403 ( 6.439 -26.946 0.000) 27.705 8.591 ( -0.673 -13.259 0.000) 13.276 9.674 ( 16.821 -7.854 0.000) 18.565 10.521 ( -3.281 -7.734 0.000) 8.401 10.621 ( 1.071 -5.032 0.000) 5.145 10.704 ( -7.480 -11.489 0.000) 13.709 10.800 ( -10.104 -2.048 0.000) 10.309 11.826 ( 8.182 6.127 0.000) 10.222 12.147 ( -2.789 21.466 0.000) 21.647 12.226 ( 1.051 5.301 0.000) 5.404 12.586 ( 7.130 2.391 0.000) 7.520 14.131 ( 3.088 -14.344 0.000) 14.673 14.197 ( 2.808 16.339 0.000) 16.579 15.796 ( 1.315 -4.400 0.000) 4.592 22.935 ( -8.584 1.269 0.000) 8.677 23.262 ( -1.425 1.684 0.000) 2.207 24.447 ( -2.828 6.413 0.000) 7.009 24.537 ( -1.508 0.643 0.000) 1.640 26.914 ( 1.535 7.525 0.000) 7.680 27.138 ( -1.627 0.726 0.000) 1.781 27.795 ( 2.124 -3.694 0.000) 4.261 27.906 ( 5.376 -5.948 0.000) 8.017 ======================= Grid point 41 (30/180) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 22.289 0.000) 22.289 2.348 ( 0.000 25.684 0.000) 25.684 3.430 ( 0.000 40.417 0.000) 40.417 3.589 ( 0.000 4.880 0.000) 4.880 3.938 ( -0.000 -7.402 0.000) 7.402 4.533 ( -0.000 -8.294 0.000) 8.294 4.960 ( -0.000 -22.662 0.000) 22.662 4.997 ( -0.000 -3.084 0.000) 3.084 5.092 ( 0.000 7.219 0.000) 7.219 5.731 ( 0.000 2.274 0.000) 2.274 6.097 ( -0.000 -5.571 0.000) 5.571 6.131 ( 0.000 8.686 0.000) 8.686 7.862 ( 0.000 6.809 0.000) 6.809 8.142 ( 0.000 0.756 0.000) 0.756 8.730 ( -0.000 -19.300 0.000) 19.300 8.747 ( -0.000 -15.747 0.000) 15.747 9.904 ( -0.000 -6.212 0.000) 6.212 10.579 ( -0.000 -11.583 0.000) 11.583 10.688 ( -0.000 -7.146 0.000) 7.146 10.758 ( -0.000 -6.118 0.000) 6.118 10.791 ( -0.000 -12.235 0.000) 12.235 11.846 ( 0.000 6.117 0.000) 6.117 11.872 ( 0.000 20.699 0.000) 20.699 12.168 ( 0.000 6.718 0.000) 6.718 12.609 ( 0.000 4.198 0.000) 4.198 14.059 ( 0.000 12.662 0.000) 12.662 14.324 ( -0.000 -14.401 0.000) 14.401 15.825 ( 0.000 0.914 0.000) 0.914 22.844 ( 0.000 1.371 0.000) 1.371 23.213 ( 0.000 3.690 0.000) 3.690 24.345 ( 0.000 6.928 0.000) 6.928 24.518 ( 0.000 0.965 0.000) 0.965 26.834 ( 0.000 8.744 0.000) 8.744 27.117 ( 0.000 0.738 0.000) 0.738 27.857 ( -0.000 -4.123 0.000) 4.123 28.032 ( -0.000 -7.369 0.000) 7.369 ======================= Grid point 48 (31/180) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -9.737 0.000 0.000) 9.737 3.415 ( 12.767 -0.000 0.000) 12.767 4.025 ( 15.244 -0.000 0.000) 15.244 4.029 ( -2.582 0.000 0.000) 2.582 4.174 ( -9.791 0.000 0.000) 9.791 4.420 ( -34.464 0.000 0.000) 34.464 4.840 ( -11.098 0.000 0.000) 11.098 5.040 ( -18.690 0.000 0.000) 18.690 6.031 ( -0.862 0.000 0.000) 0.862 6.123 ( -19.421 0.000 0.000) 19.421 6.499 ( 1.327 -0.000 0.000) 1.327 6.826 ( -13.919 0.000 0.000) 13.919 7.319 ( -3.723 0.000 0.000) 3.723 8.012 ( 3.162 -0.000 0.000) 3.162 8.053 ( 4.906 -0.000 0.000) 4.906 8.413 ( -3.708 0.000 0.000) 3.708 8.959 ( 1.601 -0.000 0.000) 1.601 10.142 ( 5.175 -0.000 0.000) 5.175 10.384 ( 4.579 -0.000 0.000) 4.579 11.053 ( -15.233 0.000 0.000) 15.233 11.233 ( -14.048 0.000 0.000) 14.048 11.615 ( 10.718 -0.000 0.000) 10.718 12.187 ( 17.205 -0.000 0.000) 17.205 12.261 ( 3.221 -0.000 0.000) 3.221 13.161 ( -4.424 0.000 0.000) 4.424 13.267 ( 10.365 -0.000 0.000) 10.365 14.838 ( 0.156 -0.000 0.000) 0.156 15.203 ( 9.403 -0.000 0.000) 9.403 23.252 ( 0.031 -0.000 0.000) 0.031 23.435 ( -15.952 0.000 0.000) 15.952 24.420 ( 6.801 -0.000 0.000) 6.801 24.948 ( -13.742 0.000 0.000) 13.742 26.925 ( 6.933 -0.000 0.000) 6.933 27.276 ( -5.228 0.000 0.000) 5.228 27.543 ( 8.083 -0.000 0.000) 8.083 27.585 ( 4.898 -0.000 0.000) 4.898 ======================= Grid point 50 (32/180) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -10.695 1.434 0.000) 10.791 3.579 ( -44.102 11.693 0.000) 45.626 3.612 ( 12.428 3.588 0.000) 12.935 3.969 ( -17.328 -7.930 0.000) 19.056 4.069 ( 1.707 -6.575 0.000) 6.793 4.301 ( 10.137 3.072 0.000) 10.592 4.616 ( -15.829 -1.966 0.000) 15.951 4.899 ( -2.197 1.496 0.000) 2.658 5.757 ( -21.723 1.371 0.000) 21.767 6.016 ( -2.597 -2.025 0.000) 3.293 6.472 ( -2.913 2.536 0.000) 3.862 6.546 ( -6.060 19.798 0.000) 20.705 7.390 ( -2.924 -23.863 0.000) 24.041 8.074 ( 3.585 -0.172 0.000) 3.589 8.111 ( 2.057 0.896 0.000) 2.244 8.364 ( -3.003 -2.133 0.000) 3.684 9.140 ( 16.873 -3.371 0.000) 17.206 10.259 ( 5.346 -4.035 0.000) 6.698 10.468 ( 4.279 -1.411 0.000) 4.506 10.770 ( -18.988 -1.312 0.000) 19.034 11.004 ( -12.951 0.327 0.000) 12.955 11.790 ( 10.915 1.546 0.000) 11.024 12.303 ( 2.569 1.243 0.000) 2.854 12.442 ( 12.897 0.065 0.000) 12.897 12.926 ( -3.856 19.444 0.000) 19.823 13.545 ( 5.314 -16.388 0.000) 17.228 14.744 ( 1.627 15.226 0.000) 15.313 15.418 ( 5.513 -11.761 0.000) 12.989 23.165 ( -14.017 0.986 0.000) 14.052 23.275 ( 1.116 -0.540 0.000) 1.239 24.522 ( 5.583 0.888 0.000) 5.653 24.719 ( -12.227 1.313 0.000) 12.298 27.022 ( 5.612 2.096 0.000) 5.991 27.200 ( -3.590 0.280 0.000) 3.600 27.663 ( 3.691 -1.073 0.000) 3.844 27.672 ( 6.135 -1.885 0.000) 6.418 ======================= Grid point 51 (33/180) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -33.585 12.268 0.000) 35.755 2.882 ( -4.916 4.296 0.000) 6.529 3.724 ( 6.946 6.040 0.000) 9.205 3.799 ( -11.690 -6.939 0.000) 13.594 4.217 ( 2.634 -13.211 0.000) 13.471 4.349 ( 5.866 14.021 0.000) 15.199 4.410 ( -12.049 -5.441 0.000) 13.221 4.875 ( 0.498 -0.009 0.000) 0.498 5.416 ( -14.893 3.174 0.000) 15.228 5.993 ( -2.768 -2.460 0.000) 3.703 6.228 ( -2.894 22.435 0.000) 22.620 6.376 ( -3.018 4.376 0.000) 5.316 7.708 ( 1.240 -33.439 0.000) 33.462 8.096 ( 0.093 4.696 0.000) 4.697 8.124 ( 1.940 -0.369 0.000) 1.975 8.373 ( -1.492 -6.395 0.000) 6.567 9.525 ( 20.705 -5.234 0.000) 21.357 10.377 ( -0.590 -5.117 0.000) 5.151 10.490 ( -15.616 -7.007 0.000) 17.116 10.555 ( 4.267 -1.534 0.000) 4.534 10.800 ( -10.267 1.125 0.000) 10.329 11.928 ( 8.080 3.158 0.000) 8.675 12.315 ( 1.391 2.724 0.000) 3.058 12.584 ( 2.275 7.372 0.000) 7.715 12.660 ( 1.091 13.828 0.000) 13.870 13.787 ( 2.447 -15.944 0.000) 16.131 14.588 ( 1.664 17.606 0.000) 17.685 15.611 ( 2.241 -11.140 0.000) 11.363 22.958 ( -8.848 0.759 0.000) 8.881 23.298 ( 1.531 1.351 0.000) 2.042 24.531 ( -7.544 1.826 0.000) 7.762 24.578 ( 3.077 2.200 0.000) 3.783 27.055 ( 2.834 4.918 0.000) 5.676 27.151 ( -1.785 0.413 0.000) 1.832 27.729 ( 2.010 -2.158 0.000) 2.949 27.789 ( 3.692 -4.241 0.000) 5.623 ======================= Grid point 52 (34/180) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 16.133 0.000) 16.133 2.761 ( 0.000 10.985 0.000) 10.985 3.712 ( 0.000 6.246 0.000) 6.246 3.773 ( -0.000 -7.253 0.000) 7.253 4.172 ( 0.000 25.686 0.000) 25.686 4.359 ( -0.000 -6.952 0.000) 6.952 4.446 ( -0.000 -20.372 0.000) 20.372 4.912 ( -0.000 -3.713 0.000) 3.713 5.233 ( 0.000 5.272 0.000) 5.272 5.976 ( 0.000 18.106 0.000) 18.106 5.998 ( -0.000 -3.345 0.000) 3.345 6.294 ( 0.000 5.822 0.000) 5.822 8.024 ( 0.000 7.275 0.000) 7.275 8.107 ( -0.000 -34.171 0.000) 34.171 8.145 ( -0.000 -0.317 0.000) 0.317 8.454 ( -0.000 -10.230 0.000) 10.230 9.795 ( -0.000 -3.631 0.000) 3.631 10.336 ( -0.000 -9.869 0.000) 9.869 10.533 ( -0.000 -10.323 0.000) 10.323 10.653 ( 0.000 2.055 0.000) 2.055 10.653 ( -0.000 -3.381 0.000) 3.381 11.963 ( 0.000 4.267 0.000) 4.267 12.289 ( 0.000 4.175 0.000) 4.175 12.353 ( 0.000 21.583 0.000) 21.583 12.669 ( 0.000 1.688 0.000) 1.688 13.984 ( -0.000 -16.010 0.000) 16.010 14.408 ( 0.000 17.650 0.000) 17.650 15.737 ( -0.000 -8.291 0.000) 8.291 22.871 ( 0.000 1.049 0.000) 1.049 23.287 ( 0.000 2.811 0.000) 2.811 24.443 ( 0.000 2.467 0.000) 2.467 24.573 ( 0.000 3.221 0.000) 3.221 27.011 ( 0.000 6.976 0.000) 6.976 27.131 ( 0.000 0.526 0.000) 0.526 27.775 ( -0.000 -3.084 0.000) 3.084 27.880 ( -0.000 -6.080 0.000) 6.080 ======================= Grid point 61 (35/180) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -5.380 0.000 0.000) 5.380 2.917 ( -34.975 0.000 0.000) 34.975 3.710 ( -9.890 0.000 0.000) 9.890 3.814 ( 8.240 -0.000 0.000) 8.240 4.056 ( 1.303 -0.000 0.000) 1.303 4.349 ( -12.724 0.000 0.000) 12.724 4.485 ( 7.362 -0.000 0.000) 7.362 4.892 ( -0.220 0.000 0.000) 0.220 5.451 ( -14.310 0.000 0.000) 14.310 5.964 ( -2.285 0.000 0.000) 2.285 6.425 ( -3.582 0.000 0.000) 3.582 6.664 ( 0.455 -0.000 0.000) 0.455 7.146 ( -3.618 0.000 0.000) 3.618 8.119 ( 1.863 -0.000 0.000) 1.863 8.155 ( 1.671 -0.000 0.000) 1.671 8.304 ( -2.152 0.000 0.000) 2.152 9.463 ( 22.434 -0.000 0.000) 22.434 10.314 ( 3.412 -0.000 0.000) 3.412 10.414 ( -21.636 0.000 0.000) 21.636 10.539 ( 4.781 -0.000 0.000) 4.781 10.817 ( -9.583 0.000 0.000) 9.583 11.964 ( 7.997 -0.000 0.000) 7.997 12.345 ( 1.503 -0.000 0.000) 1.503 12.609 ( 6.920 -0.000 0.000) 6.920 12.936 ( -6.510 0.000 0.000) 6.510 13.544 ( 4.992 -0.000 0.000) 4.992 14.843 ( 0.093 -0.000 0.000) 0.093 15.429 ( 3.634 -0.000 0.000) 3.634 22.966 ( -8.929 0.000 0.000) 8.929 23.314 ( 2.375 -0.000 0.000) 2.375 24.553 ( -7.815 0.000 0.000) 7.815 24.602 ( 3.227 -0.000 0.000) 3.227 27.113 ( 3.380 -0.000 0.000) 3.380 27.156 ( -1.846 0.000 0.000) 1.846 27.704 ( 1.969 -0.000 0.000) 1.969 27.738 ( 3.172 -0.000 0.000) 3.172 ======================= Grid point 63 (36/180) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.000 6.600 0.000) 6.600 2.865 ( 0.000 0.583 0.000) 0.583 3.642 ( -0.000 -3.671 0.000) 3.671 3.851 ( 0.000 5.388 0.000) 5.388 4.123 ( -0.000 -8.655 0.000) 8.655 4.248 ( -0.000 -2.712 0.000) 2.712 4.520 ( 0.000 6.022 0.000) 6.022 4.882 ( 0.000 1.058 0.000) 1.058 5.315 ( 0.000 1.942 0.000) 1.942 5.949 ( -0.000 -1.096 0.000) 1.096 6.381 ( 0.000 1.977 0.000) 1.977 6.480 ( 0.000 25.076 0.000) 25.076 7.343 ( -0.000 -31.469 0.000) 31.469 8.136 ( -0.000 -0.284 0.000) 0.284 8.150 ( 0.000 3.381 0.000) 3.381 8.304 ( -0.000 -3.356 0.000) 3.356 9.743 ( -0.000 -1.140 0.000) 1.140 10.173 ( -0.000 -4.134 0.000) 4.134 10.366 ( -0.000 -4.132 0.000) 4.132 10.605 ( -0.000 -1.046 0.000) 1.046 10.706 ( 0.000 1.703 0.000) 1.703 12.028 ( 0.000 1.535 0.000) 1.535 12.350 ( 0.000 1.410 0.000) 1.410 12.661 ( 0.000 1.719 0.000) 1.719 12.799 ( 0.000 12.150 0.000) 12.150 13.656 ( -0.000 -11.320 0.000) 11.320 14.769 ( 0.000 12.235 0.000) 12.235 15.516 ( -0.000 -9.046 0.000) 9.046 22.887 ( 0.000 0.391 0.000) 0.391 23.331 ( 0.000 1.048 0.000) 1.048 24.480 ( 0.000 0.897 0.000) 0.897 24.624 ( 0.000 1.107 0.000) 1.107 27.125 ( 0.000 2.941 0.000) 2.941 27.139 ( 0.000 0.189 0.000) 0.189 27.727 ( -0.000 -1.135 0.000) 1.135 27.779 ( -0.000 -2.593 0.000) 2.593 ======================= Grid point 125 (37/180) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 0.000 34.721) 34.721 0.687 ( 0.000 0.000 35.936) 35.936 0.893 ( 0.000 0.000 45.040) 45.040 3.375 ( 0.000 0.000 -2.747) 2.747 4.296 ( 0.000 0.000 0.290) 0.290 4.470 ( 0.000 0.000 -21.680) 21.680 4.622 ( 0.000 0.000 -27.712) 27.712 4.776 ( 0.000 0.000 -6.978) 6.978 5.709 ( 0.000 0.000 22.128) 22.128 5.779 ( 0.000 0.000 8.542) 8.542 6.682 ( 0.000 0.000 22.003) 22.003 7.219 ( 0.000 0.000 12.188) 12.188 7.504 ( 0.000 0.000 -11.923) 11.923 8.134 ( 0.000 0.000 8.270) 8.270 8.480 ( 0.000 0.000 -12.572) 12.572 8.945 ( 0.000 0.000 -3.264) 3.264 10.155 ( 0.000 0.000 2.805) 2.805 10.873 ( 0.000 0.000 4.585) 4.585 11.037 ( 0.000 0.000 -7.004) 7.004 11.336 ( 0.000 0.000 5.983) 5.983 11.432 ( 0.000 0.000 -4.346) 4.346 11.671 ( 0.000 0.000 -0.649) 0.649 11.809 ( 0.000 0.000 -12.132) 12.132 11.847 ( 0.000 0.000 -3.631) 3.631 12.428 ( 0.000 0.000 1.332) 1.332 12.517 ( 0.000 0.000 0.180) 0.180 15.076 ( 0.000 0.000 8.176) 8.176 16.058 ( 0.000 0.000 -2.154) 2.154 22.792 ( 0.000 0.000 0.903) 0.903 23.036 ( 0.000 0.000 -1.187) 1.187 23.928 ( 0.000 0.000 0.174) 0.174 24.028 ( 0.000 0.000 -0.666) 0.666 26.425 ( 0.000 0.000 0.689) 0.689 26.699 ( 0.000 0.000 -2.027) 2.027 28.079 ( 0.000 0.000 3.398) 3.398 28.631 ( 0.000 0.000 -1.691) 1.691 ======================= Grid point 126 (38/180) ======================= q-point: ( 0.09 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 19.512 -15.007 19.345) 31.307 1.032 ( 17.014 -24.710 23.049) 37.832 1.571 ( 50.545 -13.921 27.527) 59.214 3.333 ( -5.401 -1.227 -4.353) 7.045 4.476 ( 14.462 7.600 -14.877) 22.096 4.601 ( 4.031 -0.690 -22.949) 23.311 4.723 ( 17.589 -3.738 -15.139) 23.506 4.876 ( 12.231 -0.025 -6.438) 13.822 5.610 ( -1.493 4.126 24.310) 24.703 5.811 ( 2.567 -2.579 9.802) 10.455 6.628 ( -5.420 7.999 20.805) 22.939 6.880 ( -12.027 6.677 19.512) 23.873 7.953 ( 14.738 5.525 -16.603) 22.878 8.467 ( 9.146 7.660 -13.803) 18.244 8.613 ( 23.719 16.769 -8.777) 30.345 9.309 ( 25.820 -18.043 -36.249) 48.022 10.090 ( -2.460 7.563 3.317) 8.617 10.854 ( -10.547 1.996 -4.893) 11.797 10.929 ( -7.567 -3.180 -1.147) 8.288 11.219 ( -8.152 4.988 7.233) 11.985 11.412 ( -4.835 -4.537 -3.335) 7.422 11.627 ( 1.367 15.944 -4.453) 16.610 11.713 ( 0.979 -2.427 -0.802) 2.737 11.931 ( 0.552 -1.285 1.170) 1.823 12.096 ( 7.701 16.761 9.102) 20.569 12.923 ( -3.922 -30.635 -22.722) 38.343 15.130 ( -8.244 -11.718 11.656) 18.470 15.299 ( -38.334 1.485 34.252) 51.429 22.860 ( 7.489 -0.575 1.138) 7.597 23.666 ( 30.575 23.026 -18.105) 42.342 23.964 ( 4.629 1.387 -0.029) 4.832 24.380 ( 30.674 -13.615 -30.843) 45.580 26.440 ( 1.388 -2.020 0.028) 2.451 26.780 ( -1.145 -13.049 -7.324) 15.007 28.023 ( -5.330 4.716 5.294) 8.870 28.226 ( -27.497 -2.356 21.175) 34.786 ======================= Grid point 127 (39/180) ======================= q-point: ( 0.18 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 23.622 -21.460 7.513) 32.787 1.624 ( 17.987 -26.721 14.023) 35.131 2.636 ( 55.644 -14.183 14.239) 59.162 3.245 ( -6.672 -1.982 -6.045) 9.219 4.529 ( -1.584 1.220 -22.043) 22.134 4.744 ( 16.691 6.940 -14.812) 23.369 5.081 ( 18.659 -1.359 -3.158) 18.974 5.197 ( 22.664 -3.712 -5.834) 23.695 5.583 ( 4.408 4.319 18.917) 19.898 5.943 ( 8.281 -5.590 11.539) 15.263 6.229 ( -18.124 19.618 18.893) 32.715 6.782 ( -1.078 -1.572 17.202) 17.307 8.032 ( 3.737 5.898 -9.331) 11.654 8.469 ( -0.137 5.735 -11.862) 13.176 8.686 ( 4.078 5.710 -2.404) 7.417 9.564 ( 0.100 14.626 -25.756) 29.619 9.915 ( -2.030 15.085 4.090) 15.761 10.575 ( -10.066 1.848 -10.871) 14.930 10.906 ( -7.700 -9.099 -1.265) 11.987 11.038 ( -6.299 3.930 7.459) 10.525 11.391 ( -4.698 -6.324 -2.875) 8.386 11.552 ( 3.849 8.223 -3.725) 9.814 11.731 ( 0.892 1.164 1.375) 2.010 11.953 ( 6.632 8.055 7.296) 12.732 12.155 ( 1.929 -5.144 0.500) 5.517 13.096 ( -1.006 -11.658 -29.084) 31.349 14.717 ( -22.427 -0.972 35.112) 41.675 15.323 ( -2.374 -18.497 2.484) 18.814 23.034 ( 11.879 -0.318 1.553) 11.984 23.729 ( 5.247 8.849 -5.674) 11.749 24.037 ( 4.977 0.056 0.172) 4.980 24.834 ( 22.671 11.625 -22.326) 33.876 26.522 ( 3.708 -4.473 -1.373) 5.970 26.900 ( -1.625 -12.247 -10.693) 16.339 27.783 ( -14.684 -0.758 16.020) 21.745 28.005 ( -8.309 -0.732 7.637) 11.310 ======================= Grid point 128 (40/180) ======================= q-point: ( 0.27 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 22.369 -20.071 3.735) 30.285 2.192 ( 16.676 -22.859 8.530) 29.554 3.155 ( -5.237 -1.896 -5.770) 8.020 3.695 ( 49.891 -13.932 5.745) 52.118 4.449 ( -4.569 2.778 -20.455) 21.142 4.908 ( 8.980 3.655 -9.429) 13.524 5.283 ( 4.423 3.690 13.134) 14.341 5.583 ( 8.443 6.007 6.612) 12.292 5.715 ( -0.729 0.282 6.468) 6.515 5.819 ( 22.083 8.002 8.015) 24.818 6.202 ( 13.605 -6.432 9.232) 17.655 6.805 ( 1.335 -1.320 12.964) 13.099 7.978 ( -1.490 6.330 -7.624) 10.021 8.323 ( -8.746 7.530 -11.464) 16.267 8.619 ( -4.140 8.194 -0.705) 9.207 9.172 ( -22.219 10.725 -10.228) 26.708 9.744 ( 4.730 19.948 2.340) 20.634 10.466 ( -7.532 -4.793 -12.383) 15.266 10.855 ( -12.756 -10.209 4.138) 16.854 10.946 ( 2.791 5.446 -2.086) 6.466 11.410 ( -2.417 -8.199 -1.383) 8.659 11.535 ( 1.370 3.361 -4.509) 5.788 11.751 ( 4.171 2.271 4.187) 6.331 11.940 ( 2.884 8.784 1.122) 9.313 12.220 ( 0.207 -2.902 7.657) 8.191 13.188 ( 2.395 -3.496 -30.698) 30.989 14.442 ( -13.940 -2.398 28.507) 31.823 15.481 ( -1.831 -15.816 -0.579) 15.933 23.237 ( 12.094 0.836 1.551) 12.222 23.706 ( 0.334 3.056 -3.078) 4.350 24.125 ( 4.659 -1.223 0.731) 4.872 24.980 ( 12.746 12.341 -10.705) 20.721 26.644 ( 4.650 -4.248 -1.343) 6.440 26.996 ( -1.216 -9.603 -11.213) 14.813 27.603 ( -8.925 -1.682 11.908) 14.976 27.872 ( -7.343 1.470 5.341) 9.198 ======================= Grid point 129 (41/180) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 17.196 -13.880 2.717) 22.265 2.661 ( 12.144 -17.061 4.308) 21.380 3.119 ( -0.932 -2.693 -2.819) 4.009 4.260 ( -1.228 7.586 -16.883) 18.550 4.609 ( 26.600 -11.592 -2.809) 29.152 4.983 ( 5.451 -0.925 -0.410) 5.544 5.194 ( -10.574 10.915 16.398) 22.357 5.259 ( -2.475 6.188 17.054) 18.310 6.102 ( 20.834 -9.032 1.092) 22.734 6.293 ( 29.900 -0.581 0.213) 29.907 6.488 ( 12.838 -3.790 4.892) 14.252 6.840 ( 2.583 2.052 8.143) 8.786 7.857 ( -4.352 6.275 -8.648) 11.537 8.024 ( -15.254 7.472 -8.755) 19.109 8.325 ( -18.695 10.665 -3.518) 21.808 8.764 ( -14.060 4.666 3.815) 15.297 9.648 ( 7.954 15.533 -1.046) 17.483 10.380 ( -10.463 -5.153 -10.570) 15.740 10.750 ( -9.155 -7.328 4.368) 12.514 10.972 ( 3.987 2.624 -4.700) 6.698 11.480 ( 0.139 -6.003 -2.447) 6.484 11.529 ( -0.751 -2.842 -3.895) 4.880 11.802 ( 2.220 1.105 0.761) 2.594 11.873 ( 3.214 9.953 3.342) 10.980 12.232 ( -0.116 0.177 9.672) 9.675 13.251 ( 2.456 -0.322 -27.145) 27.258 14.285 ( -8.512 -2.641 23.269) 24.917 15.602 ( -1.104 -10.244 -2.555) 10.616 23.400 ( 8.969 1.849 1.049) 9.218 23.679 ( -1.343 0.137 -1.919) 2.346 24.211 ( 3.558 -1.502 1.455) 4.127 25.025 ( 6.764 8.104 -5.757) 12.023 26.756 ( 3.827 -2.711 -1.021) 4.800 27.073 ( -0.723 -7.137 -11.399) 13.468 27.512 ( -3.478 -0.420 8.632) 9.316 27.733 ( -6.855 1.865 5.412) 8.930 ======================= Grid point 130 (42/180) ======================= q-point: ( 0.45 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 2.042 -2.862 2.800) 4.495 2.976 ( 6.502 -7.441 2.127) 10.108 3.213 ( 4.709 -3.872 -1.061) 6.188 4.128 ( -3.134 4.083 -14.610) 15.490 4.702 ( -4.586 4.576 7.352) 9.799 5.036 ( -1.769 -0.150 2.246) 2.863 5.129 ( 1.024 2.939 15.858) 16.160 5.397 ( 13.620 -6.815 5.444) 16.174 6.497 ( 13.385 -8.665 1.044) 15.979 6.610 ( 2.697 -3.856 -0.921) 4.795 6.768 ( 4.456 5.446 -1.892) 7.286 6.840 ( 15.211 3.701 4.268) 16.226 7.728 ( -4.014 -0.293 -7.789) 8.767 7.751 ( -8.271 3.659 -5.088) 10.377 7.870 ( -18.397 6.646 1.411) 19.612 8.582 ( -3.911 2.319 8.198) 9.374 9.658 ( 6.241 6.430 -6.198) 10.895 10.249 ( -7.951 -2.674 -3.512) 9.094 10.722 ( -2.127 -3.097 -0.040) 3.757 10.999 ( 1.455 0.881 -4.213) 4.543 11.501 ( 0.068 0.034 -5.051) 5.051 11.608 ( 0.072 -9.483 -1.015) 9.538 11.736 ( -0.797 8.339 -7.672) 11.360 11.884 ( 2.660 1.579 10.417) 10.866 12.225 ( -0.057 0.452 8.959) 8.971 13.278 ( 0.863 0.251 -22.973) 22.990 14.212 ( -2.928 -1.171 19.784) 20.033 15.666 ( -0.360 -3.521 -3.548) 5.011 23.489 ( 3.500 1.178 0.543) 3.733 23.661 ( -0.965 -0.523 -1.382) 1.765 24.267 ( 1.359 -0.674 1.951) 2.471 25.038 ( 2.155 2.789 -3.999) 5.330 26.823 ( 1.515 -0.879 -1.093) 2.065 27.122 ( -0.366 -2.974 -11.199) 11.593 27.494 ( 0.684 0.067 5.133) 5.179 27.617 ( -4.199 1.012 7.674) 8.806 ======================= Grid point 137 (43/180) ======================= q-point: ( 0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 24.942 -0.000 18.923) 31.308 1.286 ( 29.277 -0.000 12.777) 31.944 2.477 ( 59.591 -0.000 15.966) 61.693 3.222 ( -6.556 0.000 -6.201) 9.024 4.549 ( -0.411 0.000 -22.788) 22.792 4.822 ( 12.520 -0.000 -15.383) 19.834 5.062 ( 21.821 -0.000 -6.395) 22.739 5.148 ( 20.048 -0.000 -5.146) 20.698 5.656 ( 5.673 -0.000 21.100) 21.849 5.870 ( 7.290 -0.000 11.795) 13.866 6.569 ( -22.982 0.000 18.666) 29.608 6.646 ( -1.739 0.000 17.910) 17.995 8.145 ( 7.171 -0.000 -8.556) 11.164 8.416 ( -3.541 0.000 -10.039) 10.645 8.885 ( -3.059 0.000 -5.038) 5.894 9.662 ( 0.345 -0.000 -37.471) 37.472 10.264 ( 12.666 -0.000 -13.642) 18.615 10.686 ( -17.187 0.000 -4.269) 17.709 10.693 ( -9.867 0.000 -4.335) 10.777 11.107 ( -6.834 0.000 3.618) 7.733 11.251 ( -8.474 0.000 -0.039) 8.474 11.667 ( -2.102 0.000 -8.108) 8.376 11.761 ( 2.003 -0.000 0.200) 2.013 11.909 ( 5.742 -0.000 0.665) 5.780 12.543 ( 1.790 -0.000 0.487) 1.855 12.557 ( 8.667 -0.000 7.693) 11.588 14.789 ( -17.321 0.000 28.624) 33.457 15.005 ( -3.630 0.000 5.243) 6.377 23.031 ( 12.733 -0.000 1.736) 12.851 23.789 ( -4.679 0.000 -3.507) 5.847 24.105 ( 4.088 -0.000 -0.858) 4.177 25.068 ( 32.817 -0.000 -52.049) 61.530 26.470 ( 4.111 -0.000 -1.144) 4.268 26.671 ( -1.395 0.000 -1.733) 2.225 27.761 ( -18.629 0.000 32.674) 37.612 27.992 ( -4.950 0.000 3.015) 5.796 ======================= Grid point 138 (44/180) ======================= q-point: ( 0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 27.576 -11.423 10.353) 31.593 1.833 ( 28.491 -8.530 7.774) 30.740 3.126 ( -5.104 -0.711 -5.893) 7.828 3.464 ( 53.526 -5.747 8.937) 54.570 4.523 ( -1.269 2.693 -22.757) 22.951 4.949 ( 3.104 0.276 -8.916) 9.445 5.316 ( 7.126 0.337 9.921) 12.220 5.528 ( 22.205 -3.004 -2.079) 22.503 5.829 ( 11.952 5.063 5.971) 14.288 6.063 ( 7.957 -1.379 11.178) 13.790 6.135 ( -5.242 9.654 18.043) 21.124 6.677 ( -1.429 -7.691 13.023) 15.192 8.156 ( 0.521 7.867 -7.817) 11.103 8.370 ( -6.860 -2.661 -8.133) 10.967 8.798 ( -1.932 6.340 -5.651) 8.709 9.355 ( -28.716 4.228 -13.718) 32.104 10.195 ( -3.524 15.309 -5.741) 16.726 10.421 ( -10.295 3.823 -8.329) 13.783 10.613 ( -10.914 -10.234 0.811) 14.984 11.035 ( 0.389 2.927 -2.512) 3.877 11.200 ( -4.215 -9.327 -0.486) 10.247 11.608 ( -3.540 1.285 -9.536) 10.252 11.805 ( 6.185 4.427 0.199) 7.609 12.044 ( 4.663 -4.144 6.369) 8.915 12.368 ( 6.772 20.850 6.634) 22.904 12.928 ( 4.227 -21.758 -10.163) 24.383 14.535 ( -6.536 11.185 18.642) 22.702 15.073 ( -2.477 -18.367 1.900) 18.630 23.258 ( 14.065 0.771 1.980) 14.225 23.702 ( -6.096 -1.495 -1.667) 6.494 24.163 ( 4.797 2.271 -0.717) 5.356 25.322 ( 12.162 14.303 -26.870) 32.779 26.579 ( 6.953 -1.078 -2.581) 7.495 26.729 ( -0.678 -11.966 -6.773) 13.766 27.558 ( -8.219 -1.550 22.936) 24.413 27.892 ( -6.720 0.437 3.139) 7.430 ======================= Grid point 139 (45/180) ======================= q-point: ( 0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 25.648 -12.477 5.389) 29.026 2.383 ( 24.631 -9.150 4.260) 26.619 3.075 ( -1.938 -1.306 -3.446) 4.164 4.348 ( 36.932 -9.803 0.976) 38.223 4.441 ( 1.720 7.980 -19.380) 21.030 4.950 ( -3.079 -2.187 -3.630) 5.239 5.326 ( -2.713 2.825 17.705) 18.133 5.505 ( -18.811 12.048 16.910) 28.017 5.929 ( 18.938 -6.186 1.911) 20.014 6.269 ( 16.290 -1.577 3.907) 16.826 6.450 ( 25.767 0.361 4.213) 26.112 6.772 ( 3.467 -6.400 7.141) 10.197 8.042 ( -3.094 7.852 -7.320) 11.172 8.167 ( -15.445 5.642 -7.658) 18.139 8.587 ( -20.139 12.018 -4.738) 23.926 8.842 ( -17.367 1.641 -3.335) 17.761 9.990 ( -2.806 12.640 -4.172) 13.603 10.223 ( -14.810 -6.622 -9.939) 19.025 10.544 ( -7.473 -7.961 7.018) 12.980 11.033 ( 2.145 2.500 -4.262) 5.386 11.284 ( 1.298 -9.001 -1.339) 9.192 11.538 ( -3.256 0.424 -8.453) 9.068 11.859 ( 5.377 3.636 2.607) 6.995 12.100 ( 2.287 5.226 6.435) 8.600 12.292 ( 4.912 10.908 7.122) 13.923 13.183 ( 4.949 -10.728 -19.797) 23.054 14.331 ( -3.188 10.275 17.776) 20.778 15.267 ( -0.336 -19.227 -1.252) 19.270 23.448 ( 9.365 2.542 1.343) 9.796 23.638 ( -3.837 -3.450 -0.645) 5.200 24.215 ( 3.701 1.254 0.145) 3.910 25.286 ( 4.285 13.981 -12.256) 19.079 26.693 ( 3.881 -2.879 -0.897) 4.914 26.879 ( 3.418 -9.687 -10.903) 14.980 27.487 ( -2.774 -1.403 14.566) 14.894 27.764 ( -7.414 0.996 3.529) 8.271 ======================= Grid point 140 (46/180) ======================= q-point: ( 0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 14.600 -5.200 1.384) 15.560 2.827 ( 20.066 -5.354 3.426) 21.049 3.120 ( 5.315 -3.621 -0.646) 6.464 4.272 ( -5.424 8.041 -16.090) 18.787 4.804 ( -3.368 3.797 0.650) 5.116 4.951 ( -4.415 -6.528 -0.923) 7.935 5.252 ( 14.301 -2.564 13.807) 20.043 5.271 ( -2.347 6.354 18.423) 19.629 6.269 ( 9.959 -10.523 5.030) 15.336 6.496 ( 6.011 -5.837 -0.335) 8.385 6.838 ( 15.731 2.286 -0.701) 15.911 6.911 ( 8.783 0.356 2.320) 9.091 7.788 ( -18.147 3.964 -5.296) 19.315 7.889 ( -5.703 9.201 -8.673) 13.871 8.031 ( -23.166 7.414 1.327) 24.360 8.666 ( -4.781 4.499 3.575) 7.475 9.776 ( -13.077 3.133 -7.146) 15.228 10.123 ( -5.143 -7.394 -4.788) 10.200 10.571 ( -0.457 -8.058 4.511) 9.246 11.033 ( 0.808 2.486 -5.192) 5.813 11.422 ( 4.477 -6.544 -1.592) 8.087 11.497 ( -2.197 -1.475 -8.150) 8.569 11.892 ( 1.285 1.358 7.430) 7.661 12.029 ( 2.939 13.625 -0.119) 13.939 12.270 ( 2.100 4.694 8.923) 10.299 13.329 ( 5.150 -0.479 -23.331) 23.897 14.217 ( 0.090 5.262 19.040) 19.754 15.463 ( 1.042 -14.539 -2.872) 14.856 23.482 ( -2.651 -1.173 0.636) 2.968 23.669 ( 3.744 0.688 -0.794) 3.889 24.256 ( 1.812 -0.170 1.452) 2.328 25.187 ( -0.106 9.818 -6.415) 11.728 26.772 ( 1.203 -3.627 -1.047) 3.962 27.037 ( 5.993 -4.301 -10.144) 12.542 27.485 ( 0.691 -0.889 8.386) 8.461 27.634 ( -6.538 0.630 5.093) 8.311 ======================= Grid point 141 (47/180) ======================= q-point: ( 0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 5.220 2.594 2.048) 6.178 3.116 ( 11.110 4.597 1.528) 12.120 3.255 ( 3.044 -0.279 -0.711) 3.138 4.119 ( -3.184 3.475 -13.314) 14.124 4.637 ( -5.135 -0.906 10.383) 11.619 4.940 ( -4.042 -6.229 0.759) 7.465 5.180 ( -1.117 4.387 16.276) 16.894 5.484 ( -0.382 1.179 1.525) 1.965 6.469 ( -2.233 -10.947 2.384) 11.423 6.603 ( -0.134 -4.650 -0.053) 4.652 6.744 ( -13.683 5.511 -4.942) 15.557 6.874 ( -16.464 5.618 2.255) 17.541 7.688 ( -0.878 -3.260 1.713) 3.785 7.767 ( 14.309 -1.128 -1.195) 14.403 7.811 ( -0.210 5.923 -8.041) 9.989 8.581 ( 0.246 2.103 9.196) 9.436 9.519 ( -17.998 -5.933 -4.791) 19.547 10.203 ( 4.231 -6.733 -6.344) 10.172 10.672 ( 1.947 -6.460 3.083) 7.418 11.007 ( -0.452 2.338 -5.539) 6.029 11.479 ( -1.617 -1.883 -4.432) 5.080 11.583 ( 6.228 -4.579 -6.002) 9.786 11.845 ( -6.322 -0.296 9.570) 11.473 11.935 ( 6.116 16.331 -2.882) 17.675 12.253 ( 1.087 2.962 8.391) 8.965 13.372 ( 4.193 6.207 -23.387) 24.557 14.220 ( 4.317 1.179 19.763) 20.264 15.614 ( 1.839 -8.157 -3.339) 9.004 23.434 ( -5.605 -3.081 0.663) 6.431 23.694 ( 0.663 1.981 -1.799) 2.757 24.277 ( 0.629 0.163 2.292) 2.383 25.070 ( -3.815 5.226 -4.085) 7.652 26.811 ( -0.177 -1.801 -1.063) 2.099 27.161 ( 5.845 0.591 -9.922) 11.530 27.491 ( -1.805 -0.023 3.636) 4.059 27.584 ( 1.535 -1.967 8.186) 8.558 ======================= Grid point 142 (48/180) ======================= q-point: (-0.45 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -2.925 10.496 1.905) 11.061 3.064 ( -0.809 17.729 1.536) 17.814 3.197 ( -2.131 4.638 -1.287) 5.264 4.124 ( 1.338 -4.440 -13.566) 14.337 4.701 ( 2.774 -5.185 3.018) 6.610 4.917 ( -9.769 -6.249 11.462) 16.305 5.130 ( -6.351 4.869 4.587) 9.224 5.187 ( -15.309 1.375 6.506) 16.691 6.247 ( -23.729 0.967 -3.577) 24.017 6.367 ( -26.315 8.518 0.869) 27.673 6.585 ( -7.701 3.648 5.456) 10.119 6.679 ( -2.286 -9.806 8.713) 13.315 7.815 ( 5.871 1.837 -9.304) 11.154 7.840 ( 9.404 -8.924 -8.128) 15.301 8.129 ( 15.902 -7.207 -2.364) 17.618 8.665 ( 9.516 -3.792 12.082) 15.841 9.353 ( -12.077 -11.040 -1.053) 16.397 10.369 ( 5.477 -6.736 -10.433) 13.573 10.756 ( 0.219 -4.977 1.904) 5.333 10.983 ( 1.606 2.523 -2.744) 4.059 11.465 ( -3.584 -2.604 -4.806) 6.536 11.669 ( -4.707 -1.700 6.023) 7.830 11.793 ( 6.228 1.051 -8.439) 10.541 11.846 ( 2.646 13.790 3.086) 14.376 12.248 ( 1.723 1.909 7.744) 8.160 13.346 ( 2.533 8.103 -24.841) 26.252 14.322 ( 8.590 0.294 21.577) 23.226 15.701 ( 2.288 -1.356 -2.794) 3.857 23.358 ( -7.328 -2.087 0.775) 7.659 23.654 ( -4.461 -1.245 -2.228) 5.139 24.270 ( 0.578 2.989 2.054) 3.673 24.945 ( -7.306 0.606 -3.428) 8.093 26.803 ( -1.025 1.397 -0.827) 1.920 27.197 ( 1.574 4.305 -8.848) 9.965 27.500 ( 3.138 -1.380 4.244) 5.455 27.680 ( 5.588 -2.898 5.934) 8.651 ======================= Grid point 143 (49/180) ======================= q-point: (-0.36 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -14.903 20.358 2.487) 25.352 2.743 ( -8.055 25.417 4.664) 27.067 3.205 ( 5.635 2.438 -5.307) 8.116 3.987 ( -32.141 9.491 -2.517) 33.607 4.458 ( -3.809 5.077 -13.202) 14.648 4.795 ( -14.354 -6.299 -7.681) 17.456 5.158 ( -3.395 -8.499 12.573) 15.551 5.218 ( 7.120 -17.151 20.925) 27.977 5.800 ( -25.782 3.496 -3.955) 26.317 5.877 ( -16.990 9.745 1.725) 19.662 6.354 ( -11.544 7.087 8.956) 16.239 6.714 ( -5.476 -8.401 12.815) 16.272 7.908 ( 4.756 -0.494 -7.375) 8.790 8.117 ( 7.334 -9.799 -13.209) 18.008 8.400 ( 6.663 -11.699 -2.225) 13.646 8.955 ( 13.370 -8.812 5.105) 16.807 9.382 ( 0.052 -12.988 0.914) 13.020 10.504 ( 3.777 -3.368 -13.063) 14.009 10.795 ( -2.535 -6.862 -0.539) 7.335 11.022 ( 6.773 3.477 3.891) 8.550 11.394 ( -10.401 -6.221 -3.442) 12.599 11.608 ( -2.242 -1.309 5.967) 6.507 11.719 ( 0.240 12.657 3.304) 13.083 11.911 ( 7.354 2.652 -9.331) 12.172 12.273 ( 3.918 2.007 6.596) 7.930 13.285 ( 0.771 7.560 -29.920) 30.870 14.495 ( 12.754 0.507 25.793) 28.779 15.720 ( 2.488 5.271 -1.323) 5.977 23.228 ( -9.585 0.038 1.010) 9.638 23.585 ( -8.690 -6.079 -2.539) 10.905 24.229 ( 0.841 6.547 1.131) 6.697 24.814 ( -10.230 -3.243 -4.087) 11.483 26.747 ( -1.664 4.654 -0.802) 5.007 27.148 ( -0.431 4.854 -6.203) 7.888 27.611 ( 7.901 -0.943 2.161) 8.246 27.821 ( 7.083 -3.229 5.701) 9.649 ======================= Grid point 144 (50/180) ======================= q-point: (-0.27 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -16.446 26.321 3.650) 31.250 2.253 ( -15.891 27.419 7.701) 32.613 3.069 ( -38.460 22.744 6.870) 45.207 3.313 ( 4.108 5.015 -4.032) 7.635 4.511 ( 4.853 -1.572 -21.409) 22.008 4.553 ( -22.778 -8.206 -10.505) 26.392 5.053 ( -15.971 -4.463 3.309) 16.910 5.310 ( -22.299 6.201 -5.838) 23.870 5.503 ( -1.416 -6.381 17.736) 18.902 5.813 ( 12.897 -12.955 13.656) 22.818 6.094 ( -8.624 7.755 9.644) 15.084 6.700 ( -6.382 -7.678 16.442) 19.236 7.943 ( -3.890 -2.580 -11.300) 12.226 8.229 ( -4.309 -8.234 -4.591) 10.366 8.648 ( 7.821 -6.976 -3.352) 11.003 9.194 ( 0.129 -12.944 -2.808) 13.246 9.646 ( 13.982 -11.755 -2.479) 18.434 10.584 ( 3.621 -0.618 -12.315) 12.851 10.856 ( 1.288 -7.608 1.633) 7.887 11.097 ( 4.227 1.850 6.213) 7.739 11.304 ( -9.913 -10.374 -1.778) 14.458 11.594 ( -2.514 4.548 4.257) 6.717 11.610 ( 1.709 2.119 2.531) 3.717 11.950 ( 2.212 4.773 -5.677) 7.740 12.314 ( 4.889 5.844 1.696) 7.805 13.220 ( 0.641 5.301 -36.082) 36.474 14.747 ( 17.854 -0.769 31.398) 36.128 15.668 ( 2.335 11.304 0.836) 11.573 23.050 ( -10.286 1.214 1.151) 10.421 23.489 ( -13.717 -9.350 -3.307) 16.927 24.157 ( 0.496 8.415 0.246) 8.433 24.672 ( -11.653 -3.994 -6.340) 13.854 26.652 ( -1.864 6.804 -1.004) 7.125 27.087 ( -0.123 5.368 -5.479) 7.671 27.769 ( 8.767 -1.809 0.854) 8.993 27.989 ( 9.382 -2.704 7.218) 12.142 ======================= Grid point 145 (51/180) ======================= q-point: (-0.18 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -15.883 29.285 6.725) 33.987 1.601 ( -26.077 24.272 13.525) 38.106 2.191 ( -20.666 38.542 18.757) 47.586 3.379 ( 5.597 2.858 -4.432) 7.690 4.276 ( -19.805 -9.170 -10.897) 24.394 4.597 ( 3.560 -0.576 -24.210) 24.477 4.821 ( -12.771 0.876 -5.340) 13.870 4.896 ( -16.844 4.622 -8.779) 19.549 5.538 ( 1.033 -1.439 20.245) 20.323 5.911 ( -3.861 6.164 7.890) 10.731 6.285 ( 15.307 -21.298 18.494) 32.093 6.681 ( -6.935 -9.659 19.082) 22.484 7.791 ( -20.346 -5.648 -16.407) 26.741 8.209 ( -5.058 -3.360 4.570) 7.600 8.741 ( 3.054 6.548 -5.734) 9.224 9.281 ( -5.166 -11.695 -7.916) 15.037 9.994 ( 11.210 -5.783 -2.239) 12.811 10.687 ( 8.112 -5.508 -11.252) 14.925 10.989 ( 0.662 -7.859 0.569) 7.907 11.121 ( -0.542 -5.251 6.143) 8.099 11.295 ( -2.397 -4.295 2.088) 5.343 11.547 ( 1.015 1.191 -0.006) 1.564 11.617 ( -2.380 -4.470 5.194) 7.254 11.890 ( -1.327 6.750 -2.317) 7.259 12.274 ( 1.652 11.350 -5.375) 12.667 13.201 ( 2.160 3.033 -39.054) 39.231 15.133 ( 23.096 -7.850 35.369) 42.966 15.548 ( 1.540 16.143 3.133) 16.516 22.882 ( -7.367 1.303 1.005) 7.549 23.301 ( -21.109 -8.113 -4.097) 22.983 24.068 ( -0.117 7.797 -0.183) 7.800 24.511 ( -9.317 1.303 -9.936) 13.683 26.546 ( -1.270 6.991 -0.984) 7.174 27.021 ( 0.291 7.117 -6.778) 9.833 27.921 ( 4.864 -4.151 0.754) 6.438 28.211 ( 13.159 -3.882 8.260) 16.014 ======================= Grid point 146 (52/180) ======================= q-point: (-0.09 0.09 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.000 21.275 23.189) 31.470 1.039 ( 0.000 29.626 18.115) 34.726 1.555 ( 0.000 43.682 26.832) 51.265 3.404 ( 0.000 2.165 -2.673) 3.439 4.170 ( -0.000 -7.677 -7.510) 10.739 4.609 ( 0.000 8.739 -13.333) 15.942 4.633 ( 0.000 0.920 -27.628) 27.643 4.757 ( -0.000 -1.715 -5.513) 5.773 5.574 ( -0.000 -4.163 23.714) 24.076 5.824 ( 0.000 4.011 7.202) 8.244 6.620 ( -0.000 -5.179 21.774) 22.382 6.785 ( -0.000 -26.222 18.288) 31.969 7.524 ( 0.000 1.834 -12.106) 12.244 8.157 ( 0.000 1.779 7.666) 7.870 8.651 ( 0.000 11.565 -8.804) 14.535 9.286 ( 0.000 2.577 -13.819) 14.057 10.089 ( 0.000 0.488 -1.162) 1.261 10.932 ( -0.000 -7.900 -6.504) 10.233 11.004 ( -0.000 -1.227 0.460) 1.311 11.221 ( -0.000 -7.995 5.802) 9.878 11.341 ( -0.000 -15.774 -0.030) 15.774 11.522 ( 0.000 6.397 -3.152) 7.131 11.707 ( -0.000 -16.346 11.794) 20.157 11.785 ( 0.000 8.065 -1.416) 8.188 12.145 ( 0.000 12.938 -7.933) 15.176 13.175 ( 0.000 8.756 -39.415) 40.375 15.364 ( 0.000 19.010 5.713) 19.850 15.594 ( -0.000 -23.709 29.062) 37.506 22.801 ( 0.000 0.777 0.963) 1.237 23.058 ( 0.000 1.995 -1.245) 2.352 23.990 ( 0.000 5.753 -0.259) 5.759 24.355 ( 0.000 10.979 -13.106) 17.097 26.467 ( 0.000 4.980 -0.458) 5.001 26.928 ( 0.000 10.810 -9.270) 14.241 28.011 ( -0.000 -4.681 2.223) 5.182 28.447 ( -0.000 -10.050 5.541) 11.476 ======================= Grid point 149 (53/180) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 31.078 -0.000 6.413) 31.733 2.276 ( 28.392 -0.000 4.479) 28.743 3.060 ( -1.998 0.000 -3.656) 4.166 4.233 ( 38.563 -0.000 2.386) 38.636 4.550 ( 4.481 -0.000 -21.778) 22.234 4.910 ( -6.014 0.000 -2.065) 6.358 5.357 ( -1.718 0.000 17.749) 17.832 5.666 ( -21.992 0.000 14.747) 26.479 5.849 ( 16.943 -0.000 2.374) 17.108 6.247 ( 10.025 -0.000 6.039) 11.704 6.468 ( 29.200 -0.000 5.254) 29.669 6.670 ( 6.831 -0.000 5.712) 8.905 8.128 ( -10.310 0.000 -7.277) 12.620 8.248 ( -6.681 0.000 -7.060) 9.720 8.797 ( -2.037 0.000 -4.625) 5.053 8.801 ( -38.182 0.000 -6.265) 38.693 10.092 ( -10.039 0.000 -9.170) 13.597 10.164 ( -22.110 0.000 -7.606) 23.382 10.486 ( -2.638 0.000 11.011) 11.322 11.100 ( 3.173 -0.000 -7.622) 8.256 11.123 ( 3.389 -0.000 0.057) 3.390 11.541 ( -4.574 0.000 -9.221) 10.293 11.914 ( 2.481 -0.000 3.503) 4.293 12.108 ( 5.212 -0.000 7.997) 9.546 12.650 ( 4.858 -0.000 -1.660) 5.134 12.844 ( 7.859 -0.000 -3.381) 8.555 14.627 ( 3.280 -0.000 7.532) 8.215 14.890 ( -2.568 0.000 1.214) 2.840 23.495 ( 12.979 -0.000 1.586) 13.075 23.575 ( -7.273 0.000 -0.126) 7.274 24.234 ( 2.497 -0.000 -0.397) 2.528 25.489 ( -0.126 0.000 -18.635) 18.636 26.641 ( 0.261 -0.000 -0.886) 0.923 26.750 ( 11.491 -0.000 -6.924) 13.416 27.469 ( -2.255 0.000 16.850) 17.000 27.775 ( -7.529 0.000 2.586) 7.961 ======================= Grid point 150 (54/180) ======================= q-point: ( 0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 27.837 -2.322 1.360) 27.967 2.736 ( 24.317 -2.598 2.557) 24.589 3.070 ( 3.285 -0.975 -0.043) 3.427 4.432 ( -1.962 4.989 -18.203) 18.976 4.802 ( -6.702 -4.866 0.113) 8.283 4.852 ( 8.713 0.732 -4.618) 9.888 5.232 ( -3.678 0.361 18.398) 18.765 5.423 ( -0.657 4.951 19.756) 20.378 6.075 ( 6.451 -5.737 7.005) 11.118 6.389 ( 5.808 -3.023 0.585) 6.573 6.859 ( 13.487 -0.492 -0.498) 13.505 6.901 ( 17.730 0.074 1.814) 17.823 7.853 ( -20.418 1.623 -6.526) 21.497 8.089 ( -8.028 6.372 -7.199) 12.525 8.164 ( -30.406 3.597 0.899) 30.631 8.745 ( -3.487 2.049 -0.109) 4.046 9.776 ( -24.573 -1.669 -5.326) 25.199 9.982 ( -5.333 -4.161 -10.356) 12.370 10.460 ( -0.296 -1.706 12.192) 12.314 11.117 ( 3.625 4.716 -6.885) 9.099 11.283 ( 8.495 -5.755 -4.953) 11.394 11.468 ( -4.351 -0.894 -6.722) 8.057 11.906 ( -2.694 0.295 8.526) 8.946 12.179 ( 3.795 1.176 7.863) 8.810 12.583 ( 6.960 20.304 -1.320) 21.504 13.113 ( 6.020 -16.962 -11.126) 21.160 14.531 ( 4.294 20.696 6.918) 22.240 15.053 ( 1.758 -21.373 -0.640) 21.455 23.460 ( -6.360 -0.605 0.695) 6.427 23.678 ( 7.748 0.121 -0.140) 7.750 24.257 ( 0.798 0.126 0.971) 1.263 25.396 ( -4.679 6.699 -10.389) 13.217 26.682 ( 1.841 -3.306 -0.586) 3.830 26.960 ( 11.323 -2.054 -7.476) 13.723 27.464 ( 0.936 -0.679 10.761) 10.823 27.646 ( -7.603 0.319 2.921) 8.151 ======================= Grid point 151 (55/180) ======================= q-point: ( 0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 10.906 3.232 0.040) 11.375 3.151 ( 17.337 -2.212 -0.949) 17.504 3.237 ( 15.871 0.239 2.518) 16.072 4.262 ( -7.604 8.599 -12.963) 17.315 4.650 ( -14.669 1.089 10.320) 17.968 4.776 ( -5.739 -8.438 -3.210) 10.697 5.255 ( -2.734 1.741 17.132) 17.436 5.519 ( 9.583 3.268 3.192) 10.616 6.210 ( -0.709 -10.597 5.455) 11.939 6.498 ( 0.624 -4.521 0.040) 4.564 6.829 ( -21.833 2.408 -3.034) 22.174 7.013 ( 0.434 5.313 -3.619) 6.443 7.616 ( -8.546 -2.416 3.770) 9.648 7.797 ( 1.920 2.525 0.490) 3.210 7.948 ( -3.176 5.333 -6.922) 9.298 8.647 ( -3.732 3.046 6.361) 7.979 9.407 ( -22.271 -3.817 -3.222) 22.824 10.006 ( -0.869 -9.123 -10.665) 14.062 10.521 ( 1.991 -5.624 10.033) 11.673 11.105 ( 1.757 5.879 -8.214) 10.253 11.417 ( -4.094 -3.788 -7.912) 9.680 11.507 ( 11.517 -2.272 -4.826) 12.692 11.828 ( -6.346 -0.632 11.756) 13.375 12.215 ( 4.241 4.037 5.668) 8.149 12.471 ( 6.124 19.875 -1.124) 20.827 13.358 ( 4.967 -9.868 -16.461) 19.824 14.402 ( 5.832 16.594 11.333) 20.924 15.321 ( 3.527 -17.796 -2.026) 18.255 23.375 ( -5.507 -1.966 0.902) 5.917 23.732 ( -0.582 1.300 -2.136) 2.567 24.276 ( 1.802 -0.173 2.562) 3.137 25.220 ( -7.040 6.810 -5.888) 11.429 26.757 ( 2.706 -2.621 -0.411) 3.790 27.156 ( 9.973 -0.712 -7.455) 12.472 27.494 ( -1.033 0.129 4.055) 4.186 27.540 ( -2.331 -1.678 6.380) 6.997 ======================= Grid point 152 (56/180) ======================= q-point: (-0.55 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 7.921 6.513 0.608) 10.273 3.265 ( -1.195 2.976 -1.408) 3.502 3.444 ( 12.011 13.487 0.856) 18.081 4.080 ( -4.678 0.959 -9.753) 10.859 4.528 ( -2.908 -7.544 14.671) 16.751 4.776 ( -6.090 -7.221 -4.333) 10.393 5.171 ( -4.619 1.194 14.889) 15.635 5.339 ( -25.214 7.520 -4.512) 26.695 6.199 ( -17.791 -5.413 -3.633) 18.948 6.437 ( -4.486 -5.301 7.344) 10.108 6.534 ( -14.001 2.118 -1.631) 14.254 6.757 ( -10.578 11.029 6.127) 16.465 7.633 ( 2.161 -9.996 -5.414) 11.572 7.892 ( 2.710 4.003 -6.344) 7.976 8.003 ( 12.577 -4.193 -0.935) 13.290 8.606 ( 1.509 -1.497 12.956) 13.129 9.159 ( -12.913 -6.446 -1.168) 14.480 10.138 ( 2.019 -12.037 -11.233) 16.588 10.619 ( 0.971 -6.276 6.843) 9.335 11.053 ( -0.884 4.047 -6.355) 7.586 11.384 ( -6.306 -4.517 -5.838) 9.708 11.657 ( 0.357 1.322 6.216) 6.364 11.793 ( 7.290 -0.714 -3.370) 8.063 12.227 ( 6.185 10.924 2.564) 12.812 12.352 ( 2.865 13.894 1.673) 14.284 13.485 ( 3.802 0.236 -21.641) 21.974 14.378 ( 7.806 7.973 17.616) 20.853 15.549 ( 3.792 -12.051 -2.256) 12.833 23.313 ( -4.808 -1.777 0.739) 5.179 23.641 ( -8.684 -0.041 -2.335) 8.992 24.319 ( 3.718 1.318 2.328) 4.580 25.019 ( -9.137 4.944 -3.598) 10.994 26.819 ( 2.795 0.131 -0.207) 2.806 27.273 ( 3.321 2.753 -6.573) 7.862 27.460 ( 1.163 -2.053 3.016) 3.829 27.610 ( 4.289 -3.129 5.006) 7.296 ======================= Grid point 153 (57/180) ======================= q-point: (-0.45 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -8.529 15.797 1.871) 18.050 3.259 ( 6.891 3.969 -3.676) 8.761 3.285 ( -5.128 21.845 0.828) 22.454 4.065 ( -3.825 -0.571 -7.476) 8.417 4.593 ( -22.655 -4.685 4.633) 23.594 4.689 ( -7.823 1.211 -8.080) 11.312 4.790 ( -10.601 -10.959 7.400) 16.948 5.097 ( -5.671 -2.202 13.788) 15.071 5.872 ( -21.021 2.307 -6.867) 22.235 6.126 ( -16.951 12.230 -0.339) 20.905 6.482 ( -3.959 -2.350 11.684) 12.559 6.533 ( -8.937 0.681 12.445) 15.337 7.861 ( 7.600 -12.996 -13.637) 20.313 7.927 ( 4.406 0.448 -8.037) 9.177 8.179 ( 1.152 -6.878 -2.060) 7.272 8.754 ( 7.037 -9.436 16.006) 19.868 9.155 ( 3.420 -7.991 -0.949) 8.744 10.315 ( 2.586 -11.839 -12.083) 17.113 10.671 ( -1.789 -4.452 1.291) 4.968 11.016 ( -1.413 -2.012 1.255) 2.761 11.269 ( -13.563 -4.586 -1.785) 14.429 11.628 ( 2.124 3.119 7.497) 8.393 11.968 ( 10.728 2.003 -11.296) 15.706 12.126 ( 4.257 21.623 -0.244) 22.040 12.322 ( 4.113 2.547 4.595) 6.672 13.488 ( 2.437 7.959 -26.552) 27.826 14.480 ( 9.447 0.241 23.014) 24.879 15.709 ( 3.438 -5.978 -1.480) 7.053 23.235 ( -6.088 0.545 0.543) 6.136 23.480 ( -11.653 -3.269 -1.646) 12.215 24.356 ( 4.022 4.261 0.980) 5.941 24.812 ( -10.524 2.432 -2.478) 11.082 26.839 ( 2.007 3.610 -0.180) 4.134 27.233 ( -1.896 3.082 -1.816) 4.049 27.573 ( 7.200 -2.261 -1.288) 7.656 27.734 ( 5.582 -4.310 3.983) 8.099 ======================= Grid point 154 (58/180) ======================= q-point: (-0.36 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -11.287 22.263 2.548) 25.091 2.796 ( -23.647 21.840 3.958) 32.432 3.346 ( 6.545 4.742 -7.092) 10.753 3.672 ( -19.218 23.012 3.050) 30.136 4.319 ( -16.679 -9.819 -8.405) 21.101 4.538 ( -4.110 0.601 -14.933) 15.500 4.888 ( -12.388 -11.055 7.882) 18.380 5.170 ( 8.442 -15.372 20.466) 26.952 5.462 ( -21.825 5.832 -8.056) 23.984 5.824 ( -3.562 8.905 5.434) 11.024 6.272 ( -8.649 7.993 8.466) 14.504 6.510 ( -6.449 -8.240 16.919) 19.893 7.904 ( -5.660 -0.938 -12.293) 13.566 8.122 ( 4.815 -3.702 -4.121) 7.340 8.332 ( 5.429 -17.695 -8.441) 20.343 8.966 ( 3.775 -11.423 15.097) 19.304 9.416 ( 14.431 -8.450 -6.348) 17.887 10.467 ( 1.523 -9.233 -12.949) 15.977 10.692 ( -1.511 -6.340 1.036) 6.600 11.049 ( -3.128 -5.530 7.389) 9.745 11.070 ( -13.802 -7.613 0.989) 15.793 11.651 ( 5.164 5.048 3.070) 7.847 11.934 ( 0.972 19.476 -0.067) 19.500 12.065 ( 5.089 5.011 -7.034) 10.024 12.400 ( 7.399 2.389 0.089) 7.776 13.410 ( 1.193 10.646 -32.302) 34.032 14.674 ( 10.557 -4.665 27.511) 29.834 15.794 ( 2.729 0.025 0.106) 2.732 23.086 ( -9.450 1.985 0.725) 9.683 23.346 ( -9.517 -3.977 -1.528) 10.427 24.346 ( 2.338 7.780 -0.207) 8.127 24.628 ( -9.352 -0.185 -2.283) 9.628 26.805 ( 0.775 6.723 -0.419) 6.780 27.172 ( -1.347 2.800 -0.255) 3.118 27.717 ( 6.419 -2.640 -2.695) 7.445 27.892 ( 6.886 -5.518 3.757) 9.591 ======================= Grid point 155 (59/180) ======================= q-point: (-0.27 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -28.542 21.897 5.013) 36.322 2.173 ( -10.947 27.048 7.394) 30.102 3.066 ( -5.813 37.338 6.971) 38.426 3.461 ( 5.671 5.112 -4.052) 8.644 4.087 ( -18.402 -7.919 -9.067) 21.990 4.570 ( 3.404 -2.110 -20.036) 20.432 4.752 ( -11.584 -5.759 -0.188) 12.938 5.055 ( -15.662 7.770 -8.426) 19.408 5.486 ( 5.938 -8.500 21.565) 23.928 5.845 ( 6.680 -10.863 12.131) 17.601 6.070 ( -4.918 7.384 5.139) 10.253 6.483 ( -6.989 -7.815 19.339) 21.998 7.747 ( -11.579 1.060 -13.809) 18.053 8.188 ( 1.876 -0.215 3.507) 3.983 8.631 ( 4.627 -16.289 -11.021) 20.204 9.110 ( 1.608 -5.131 9.785) 11.165 9.767 ( 13.441 -11.679 -8.618) 19.782 10.577 ( 1.149 -7.041 -12.038) 13.993 10.744 ( -6.554 -10.933 0.442) 12.754 10.936 ( -4.205 -7.328 3.084) 8.994 11.140 ( -1.809 -11.923 10.221) 15.808 11.651 ( 3.263 10.802 2.293) 11.515 11.754 ( 0.105 11.837 -1.046) 11.883 12.048 ( 1.321 6.948 -3.751) 8.006 12.466 ( 4.507 5.586 -3.387) 7.936 13.314 ( 0.824 8.735 -38.221) 39.215 14.929 ( 9.889 -9.899 31.052) 34.059 15.798 ( 1.639 5.851 2.055) 6.414 22.914 ( -7.854 1.478 1.011) 8.055 23.226 ( -7.994 -0.266 -1.702) 8.178 24.262 ( -0.437 9.097 -0.461) 9.119 24.515 ( -4.659 -0.141 -3.368) 5.751 26.723 ( -0.093 8.561 -0.728) 8.592 27.125 ( -0.462 3.075 -0.335) 3.127 27.836 ( 3.529 -3.638 -2.409) 5.612 28.081 ( 6.743 -7.264 3.193) 10.413 ======================= Grid point 156 (60/180) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 23.401 12.845) 26.695 1.752 ( 0.000 32.312 8.009) 33.289 2.558 ( 0.000 44.701 13.116) 46.585 3.469 ( 0.000 3.827 -2.881) 4.790 4.000 ( -0.000 -7.703 -10.199) 12.781 4.643 ( -0.000 -0.688 -25.462) 25.471 4.684 ( -0.000 -4.159 -1.903) 4.574 4.816 ( 0.000 8.851 -9.192) 12.761 5.551 ( 0.000 0.521 20.193) 20.199 5.948 ( 0.000 6.784 4.319) 8.042 6.179 ( -0.000 -26.918 16.073) 31.352 6.482 ( -0.000 -6.632 21.032) 22.053 7.586 ( 0.000 3.888 -12.752) 13.331 8.195 ( 0.000 1.310 5.848) 5.993 8.797 ( -0.000 -4.763 -8.970) 10.156 9.155 ( -0.000 -4.512 1.048) 4.632 10.031 ( -0.000 -9.577 -2.011) 9.786 10.716 ( -0.000 -13.218 -14.528) 19.641 10.739 ( -0.000 -8.999 -4.824) 10.210 11.031 ( -0.000 -8.760 6.903) 11.153 11.260 ( -0.000 -10.815 12.982) 16.897 11.533 ( 0.000 8.675 2.160) 8.940 11.674 ( 0.000 7.013 -2.598) 7.479 11.971 ( 0.000 8.253 -2.539) 8.634 12.413 ( 0.000 10.050 -5.887) 11.647 13.253 ( 0.000 4.119 -40.406) 40.615 15.176 ( -0.000 -15.449 32.369) 35.867 15.717 ( 0.000 11.417 3.537) 11.952 22.825 ( 0.000 1.329 1.121) 1.739 23.119 ( 0.000 3.331 -1.396) 3.611 24.157 ( 0.000 8.696 -0.369) 8.704 24.466 ( 0.000 1.714 -5.442) 5.705 26.624 ( 0.000 8.614 -0.896) 8.660 27.083 ( 0.000 4.232 -2.368) 4.849 27.910 ( -0.000 -4.279 -1.336) 4.483 28.242 ( -0.000 -9.036 3.172) 9.577 ======================= Grid point 161 (61/180) ======================= q-point: ( 0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 12.146 -0.000 -2.936) 12.496 3.077 ( 17.600 -0.000 0.439) 17.606 3.248 ( 22.745 -0.000 3.427) 23.002 4.420 ( -6.608 0.000 -17.034) 18.271 4.594 ( -11.476 0.000 2.103) 11.667 4.692 ( -14.890 0.000 7.626) 16.729 5.270 ( -1.033 0.000 14.664) 14.701 5.580 ( 10.392 -0.000 7.513) 12.823 6.073 ( -1.089 0.000 5.389) 5.498 6.440 ( 2.110 -0.000 0.669) 2.213 6.855 ( -23.943 0.000 -1.947) 24.022 7.074 ( 10.676 -0.000 -6.103) 12.297 7.590 ( -15.801 0.000 3.957) 16.289 7.832 ( -3.115 0.000 1.451) 3.436 8.011 ( -5.345 0.000 -5.921) 7.977 8.685 ( -5.249 0.000 4.555) 6.950 9.364 ( -22.261 0.000 -2.274) 22.377 9.889 ( -2.195 0.000 -12.772) 12.959 10.456 ( 1.687 -0.000 13.198) 13.305 11.203 ( 2.412 -0.000 -8.549) 8.883 11.346 ( -4.783 0.000 -11.748) 12.685 11.482 ( 13.291 -0.000 -2.781) 13.579 11.821 ( -6.479 0.000 12.286) 13.890 12.246 ( 3.463 -0.000 7.905) 8.630 12.876 ( 8.604 -0.000 -4.917) 9.910 13.066 ( 4.663 -0.000 -9.143) 10.264 14.850 ( 0.085 -0.000 1.084) 1.088 14.875 ( 10.143 -0.000 2.310) 10.402 23.353 ( -5.359 0.000 0.990) 5.449 23.747 ( -0.882 0.000 -2.241) 2.409 24.273 ( 2.038 -0.000 2.668) 3.358 25.307 ( -9.385 0.000 -7.171) 11.811 26.722 ( 4.731 -0.000 0.245) 4.738 27.146 ( 11.474 -0.000 -6.165) 13.026 27.494 ( 2.825 -0.000 6.791) 7.355 27.522 ( -7.233 0.000 2.905) 7.795 ======================= Grid point 162 (62/180) ======================= q-point: ( 0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 10.226 3.459 -0.436) 10.804 3.288 ( 4.599 -0.557 -0.649) 4.678 3.642 ( 23.046 4.108 -0.225) 23.410 4.173 ( -12.612 5.993 -4.882) 14.792 4.411 ( -12.208 -3.012 8.859) 15.381 4.602 ( -4.465 -6.913 -4.760) 9.507 5.191 ( -7.387 0.496 12.330) 14.382 5.471 ( -24.228 3.820 0.357) 24.530 6.050 ( -7.100 -5.261 -1.102) 8.905 6.413 ( -5.432 1.536 5.327) 7.762 6.519 ( -8.939 -2.108 -0.723) 9.213 7.054 ( -8.770 14.345 -1.400) 16.872 7.383 ( -7.389 -12.677 1.089) 14.713 7.944 ( 8.604 -1.140 -0.310) 8.684 7.956 ( -0.054 1.375 -3.336) 3.609 8.595 ( -4.158 0.119 9.532) 10.400 9.070 ( -12.943 -1.778 -0.927) 13.098 9.921 ( 1.970 -5.942 -12.956) 14.389 10.519 ( 3.600 -2.368 12.223) 12.960 11.157 ( -4.578 5.186 -8.681) 11.100 11.274 ( -6.713 -5.241 -7.720) 11.495 11.705 ( 3.134 2.563 6.192) 7.399 11.761 ( 9.110 -2.037 -2.277) 9.609 12.300 ( 3.737 0.851 6.734) 7.749 12.825 ( 6.429 22.595 -4.851) 23.987 13.287 ( 4.162 -16.358 -10.708) 19.989 14.705 ( 4.870 18.693 5.572) 20.104 15.200 ( 6.635 -18.046 -0.162) 19.227 23.286 ( -3.258 -0.633 0.771) 3.407 23.644 ( -10.462 0.166 -2.512) 10.760 24.335 ( 5.024 0.268 2.574) 5.651 25.113 ( -11.403 2.655 -4.453) 12.526 26.817 ( 5.952 -0.098 0.499) 5.974 27.320 ( 8.250 1.377 -5.323) 9.914 27.418 ( -4.041 -1.420 3.194) 5.342 27.557 ( 3.750 -1.374 3.931) 5.604 ======================= Grid point 163 (63/180) ======================= q-point: (-0.55 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -7.471 6.668 1.979) 10.208 3.331 ( 10.345 4.075 -2.150) 11.325 3.751 ( -3.511 18.623 -3.479) 19.268 4.036 ( 4.507 -1.009 -2.841) 5.422 4.339 ( -5.800 -12.321 14.061) 19.574 4.508 ( -23.458 -8.553 -7.472) 26.063 4.908 ( -20.446 6.379 -4.564) 21.899 5.060 ( -11.216 -1.391 13.850) 17.876 5.887 ( -16.104 -0.743 -8.723) 18.329 6.331 ( -10.053 0.921 7.497) 12.575 6.404 ( -1.297 3.877 2.738) 4.920 6.711 ( -10.196 12.219 11.906) 19.875 7.515 ( 1.260 -17.580 -10.269) 20.399 7.949 ( 0.420 0.952 -5.903) 5.994 8.077 ( 3.334 -3.168 -1.378) 4.801 8.581 ( -0.602 -5.097 13.603) 14.539 9.017 ( 3.600 -4.358 0.206) 5.657 10.066 ( 4.415 -9.256 -12.467) 16.143 10.601 ( 2.479 -1.874 9.362) 9.864 10.999 ( -9.050 0.709 -3.328) 9.668 11.175 ( -11.752 -3.985 -5.004) 13.380 11.702 ( 4.046 2.925 9.018) 10.308 11.993 ( 12.939 0.454 -12.096) 17.718 12.356 ( 4.763 1.468 4.716) 6.861 12.648 ( 3.191 23.557 -2.896) 23.948 13.493 ( 3.238 -8.785 -15.867) 18.423 14.619 ( 6.103 12.816 12.262) 18.757 15.478 ( 5.222 -14.053 -0.737) 15.010 23.248 ( -2.207 0.474 0.255) 2.271 23.434 ( -13.931 -1.114 -1.336) 14.040 24.416 ( 5.452 1.473 1.091) 5.752 24.883 ( -12.017 3.091 -2.598) 12.678 26.904 ( 5.328 2.160 0.405) 5.763 27.291 ( -3.315 2.160 1.728) 4.317 27.519 ( 7.641 -2.358 -2.954) 8.525 27.648 ( 4.210 -3.063 2.311) 5.696 ======================= Grid point 164 (64/180) ======================= q-point: (-0.45 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -9.317 12.260 3.269) 15.742 3.223 ( -30.682 16.668 -0.126) 34.917 3.452 ( 8.768 5.386 -5.224) 11.540 4.075 ( -15.569 7.354 -6.163) 18.288 4.133 ( -3.215 -2.177 -0.317) 3.896 4.423 ( -5.524 -13.686 4.386) 15.397 4.697 ( -7.612 -0.671 2.710) 8.108 4.955 ( -2.635 -5.423 9.527) 11.275 5.565 ( -19.485 3.265 -9.038) 21.726 6.087 ( -5.232 12.906 3.004) 14.247 6.360 ( -6.984 -1.916 16.988) 18.468 6.460 ( -6.011 7.096 8.982) 12.930 7.799 ( 5.930 -20.431 -13.671) 25.288 7.926 ( -2.799 -0.470 -11.120) 11.476 8.137 ( 1.365 -2.166 -0.362) 2.585 8.676 ( 0.024 -12.613 15.767) 20.191 9.258 ( 15.644 -6.195 -2.111) 16.958 10.247 ( 4.147 -9.524 -12.367) 16.151 10.612 ( -3.078 -0.622 2.729) 4.160 10.887 ( -6.987 -6.269 6.715) 11.542 10.991 ( -13.411 -2.453 -1.009) 13.671 11.762 ( 7.227 4.439 3.281) 9.094 12.148 ( 7.235 2.719 -9.177) 11.998 12.411 ( -0.002 16.725 -1.803) 16.822 12.445 ( 7.022 7.379 0.449) 10.196 13.577 ( 1.831 1.355 -23.776) 23.885 14.633 ( 6.367 3.450 20.570) 21.807 15.682 ( 3.551 -9.550 -0.231) 10.191 23.132 ( -10.422 1.997 0.374) 10.619 23.290 ( -4.265 -1.523 -0.899) 4.617 24.472 ( 4.218 3.545 -0.393) 5.524 24.658 ( -10.678 2.439 -1.377) 11.039 26.938 ( 3.378 5.084 0.052) 6.104 27.222 ( -2.114 1.873 2.845) 4.009 27.661 ( 5.857 -2.309 -3.174) 7.050 27.767 ( 4.655 -5.282 1.314) 7.162 ======================= Grid point 165 (65/180) ======================= q-point: (-0.36 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -30.527 16.957 2.460) 35.007 2.699 ( -5.802 18.998 5.747) 20.679 3.520 ( 5.880 6.105 -6.933) 10.951 3.796 ( -3.944 11.914 -4.767) 13.425 3.989 ( -9.932 8.900 1.159) 13.387 4.480 ( -0.365 -7.563 -12.739) 14.820 4.586 ( -9.934 -7.623 5.647) 13.736 5.132 ( 5.790 -14.255 16.327) 22.434 5.221 ( -13.045 4.869 -6.939) 15.557 5.910 ( 0.052 11.455 8.316) 14.155 6.202 ( -7.426 2.989 8.445) 11.636 6.371 ( -3.301 -0.905 14.484) 14.883 7.812 ( -4.881 4.350 -13.614) 15.103 8.151 ( 5.016 -12.729 -8.076) 15.887 8.201 ( 1.429 -12.094 -5.135) 13.217 8.855 ( 1.435 -16.818 17.630) 24.407 9.584 ( 13.580 -5.235 -9.696) 17.489 10.395 ( 1.965 -7.740 -12.856) 15.135 10.555 ( -7.293 -6.575 2.725) 10.191 10.826 ( -6.962 -3.090 2.542) 8.030 10.896 ( -3.664 -8.898 10.816) 14.477 11.824 ( 6.301 5.800 -0.423) 8.575 12.153 ( -1.310 20.488 0.362) 20.533 12.184 ( 1.990 5.978 -3.903) 7.412 12.536 ( 5.416 1.491 -5.241) 7.683 13.536 ( 0.650 8.688 -31.562) 32.742 14.743 ( 4.857 -5.276 27.008) 27.944 15.806 ( 1.804 -4.791 0.918) 5.201 22.945 ( -8.247 1.318 1.108) 8.425 23.248 ( -1.672 1.694 -1.434) 2.779 24.440 ( -2.334 6.442 -0.673) 6.884 24.522 ( -2.021 0.959 -1.439) 2.660 26.905 ( 1.284 7.530 -0.331) 7.646 27.178 ( -0.838 1.904 3.163) 3.785 27.762 ( 2.930 -2.920 -2.683) 4.931 27.914 ( 3.978 -7.418 0.405) 8.427 ======================= Grid point 166 (66/180) ======================= q-point: (-0.27 0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 20.019 6.777) 21.135 2.403 ( 0.000 25.512 5.442) 26.086 3.423 ( 0.000 25.608 -1.061) 25.630 3.622 ( 0.000 17.073 3.201) 17.371 3.830 ( -0.000 -7.587 -10.796) 13.195 4.564 ( -0.000 -6.306 2.732) 6.872 4.573 ( -0.000 -6.274 -19.456) 20.443 5.006 ( 0.000 7.996 -7.265) 10.804 5.410 ( -0.000 -17.742 22.444) 28.610 5.833 ( 0.000 1.984 10.472) 10.659 6.094 ( 0.000 5.304 3.527) 6.369 6.359 ( -0.000 -3.558 18.227) 18.571 7.697 ( 0.000 6.025 -13.754) 15.016 8.205 ( -0.000 -0.506 2.897) 2.940 8.460 ( -0.000 -20.805 -13.250) 24.665 9.045 ( -0.000 -12.176 16.009) 20.113 9.778 ( -0.000 -8.358 -13.076) 15.519 10.499 ( -0.000 -7.254 -11.208) 13.350 10.545 ( -0.000 -8.425 -1.179) 8.507 10.850 ( -0.000 -7.292 7.243) 10.278 10.970 ( -0.000 -11.661 10.541) 15.719 11.821 ( 0.000 6.142 -2.425) 6.603 11.897 ( 0.000 20.558 2.654) 20.729 12.136 ( 0.000 6.513 -3.224) 7.267 12.558 ( 0.000 3.338 -5.340) 6.297 13.430 ( 0.000 10.621 -37.009) 38.503 14.882 ( -0.000 -10.834 30.175) 32.061 15.846 ( 0.000 0.310 1.989) 2.013 22.856 ( 0.000 1.461 1.325) 1.973 23.198 ( 0.000 3.604 -1.591) 3.940 24.340 ( 0.000 7.024 -0.380) 7.034 24.494 ( 0.000 1.653 -2.286) 2.821 26.823 ( 0.000 8.850 -0.561) 8.868 27.149 ( 0.000 2.166 2.315) 3.170 27.823 ( -0.000 -3.556 -2.509) 4.352 28.043 ( -0.000 -8.819 0.631) 8.841 ======================= Grid point 173 (67/180) ======================= q-point: ( 0.36 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -6.267 0.000 2.735) 6.838 3.394 ( 11.155 -0.000 -1.987) 11.330 4.026 ( 19.038 -0.000 -0.711) 19.052 4.032 ( -9.006 0.000 -2.102) 9.248 4.168 ( -14.005 0.000 0.218) 14.006 4.368 ( -24.341 0.000 1.896) 24.414 4.978 ( -19.182 0.000 -5.237) 19.884 5.042 ( -15.471 0.000 15.445) 21.861 5.871 ( -12.739 0.000 -8.567) 15.352 6.320 ( -7.276 0.000 11.975) 14.012 6.467 ( 0.779 -0.000 -1.391) 1.594 7.009 ( -11.676 0.000 16.846) 20.497 7.163 ( -3.411 0.000 -14.515) 14.911 7.963 ( 0.368 -0.000 -4.716) 4.730 8.036 ( 3.701 -0.000 -1.693) 4.070 8.531 ( -3.518 0.000 10.796) 11.355 8.969 ( 2.827 -0.000 0.644) 2.899 9.955 ( 5.649 -0.000 -13.004) 14.178 10.582 ( 4.798 -0.000 13.463) 14.292 11.021 ( -13.886 0.000 -3.526) 14.326 11.117 ( -8.946 0.000 -8.386) 12.262 11.738 ( 4.215 -0.000 9.675) 10.553 11.996 ( 13.845 -0.000 -12.470) 18.633 12.372 ( 4.428 -0.000 4.565) 6.360 13.100 ( -2.847 0.000 -5.955) 6.601 13.196 ( 9.782 -0.000 -7.002) 12.030 14.878 ( 1.259 -0.000 3.975) 4.169 15.218 ( 9.301 -0.000 1.343) 9.397 23.253 ( -0.408 0.000 0.161) 0.439 23.422 ( -15.083 0.000 -1.289) 15.138 24.431 ( 5.866 -0.000 1.174) 5.982 24.920 ( -12.832 0.000 -2.822) 13.139 26.929 ( 6.719 -0.000 0.645) 6.750 27.319 ( -4.562 0.000 4.184) 6.191 27.487 ( 8.577 -0.000 -4.561) 9.715 27.613 ( 3.760 -0.000 1.643) 4.103 ======================= Grid point 175 (68/180) ======================= q-point: (-0.55 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -8.712 3.008 6.662) 11.372 3.516 ( -25.249 8.740 -5.194) 27.219 3.566 ( -5.760 3.717 -4.454) 8.175 3.962 ( -17.639 -5.134 -1.424) 18.426 4.129 ( -1.991 -7.527 6.045) 9.857 4.288 ( 12.627 3.176 0.040) 13.021 4.708 ( -15.878 -0.368 7.523) 17.574 4.903 ( -2.451 0.142 1.539) 2.898 5.607 ( -17.300 0.735 -9.662) 19.829 6.214 ( -5.449 0.025 13.592) 14.643 6.447 ( -0.583 4.838 1.493) 5.097 6.711 ( -8.195 17.515 11.699) 22.601 7.275 ( -2.071 -23.970 -8.564) 25.538 7.964 ( 0.598 2.134 -9.657) 9.908 8.090 ( 1.673 -2.096 -3.308) 4.259 8.488 ( -3.352 -3.935 11.140) 12.281 9.155 ( 16.131 -2.640 0.852) 16.368 10.086 ( 6.430 -4.197 -12.209) 14.423 10.640 ( 0.598 2.098 10.371) 10.598 10.778 ( -14.276 -3.433 2.375) 14.873 10.954 ( -10.581 -0.885 -4.420) 11.501 11.832 ( 7.418 1.695 3.700) 8.461 12.184 ( 8.658 0.700 -10.420) 13.566 12.450 ( 5.213 0.384 -0.912) 5.306 12.903 ( -2.299 18.352 -2.104) 18.615 13.435 ( 5.027 -11.396 -10.190) 16.093 14.829 ( 2.562 10.577 7.936) 13.470 15.426 ( 5.697 -11.015 0.665) 12.419 23.167 ( -13.298 0.946 0.177) 13.333 23.268 ( 0.652 -0.511 -0.704) 1.087 24.518 ( 4.812 0.909 -0.326) 4.908 24.705 ( -11.547 1.269 -1.440) 11.706 27.019 ( 4.858 2.008 0.174) 5.260 27.255 ( -2.390 0.924 4.964) 5.586 27.619 ( 6.146 -1.306 -3.729) 7.307 27.682 ( 3.236 -2.038 0.265) 3.833 ======================= Grid point 176 (69/180) ======================= q-point: (-0.45 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -30.704 10.732 -0.790) 32.535 2.981 ( -5.523 6.898 8.851) 12.507 3.619 ( 2.405 1.397 -9.091) 9.507 3.773 ( -8.513 -0.455 -3.636) 9.268 4.229 ( 0.167 -11.307 0.910) 11.345 4.368 ( 5.642 11.067 2.871) 12.750 4.487 ( -10.956 -1.672 6.909) 13.060 4.916 ( 1.961 -3.864 4.589) 6.311 5.325 ( -12.573 3.275 -7.127) 14.818 6.141 ( -1.993 1.445 11.463) 11.725 6.320 ( -2.887 15.496 9.716) 18.516 6.437 ( -5.367 6.289 6.379) 10.442 7.580 ( 1.747 -29.389 -9.765) 31.018 7.924 ( -0.642 5.143 -13.047) 14.038 8.139 ( 1.124 -2.413 -2.992) 4.005 8.527 ( -1.394 -10.482 13.125) 16.854 9.491 ( 17.472 -3.299 -4.183) 18.266 10.239 ( 4.553 -6.046 -12.036) 14.218 10.464 ( -13.962 -1.938 3.013) 14.415 10.728 ( -3.619 -4.385 9.923) 11.436 10.817 ( -4.818 -0.113 2.369) 5.371 11.923 ( 5.971 3.141 -0.629) 6.776 12.265 ( 3.346 2.467 -5.340) 6.768 12.519 ( 2.812 2.625 -7.103) 8.078 12.661 ( -0.789 17.618 0.666) 17.648 13.585 ( 1.933 -4.893 -16.775) 17.581 14.767 ( 2.433 7.411 14.797) 16.727 15.618 ( 2.481 -11.006 0.556) 11.296 22.969 ( -8.422 0.790 1.199) 8.543 23.284 ( 1.158 1.324 -1.476) 2.296 24.527 ( -7.105 1.839 -0.437) 7.352 24.564 ( 2.640 2.201 -1.390) 3.707 27.040 ( 2.027 4.329 -0.320) 4.791 27.217 ( -0.671 1.676 5.358) 5.654 27.711 ( 2.799 -1.713 -2.259) 3.984 27.771 ( 2.633 -5.042 -1.321) 5.839 ======================= Grid point 177 (70/180) ======================= q-point: (-0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.000 14.418 2.431) 14.621 2.835 ( 0.000 12.937 6.927) 14.674 3.657 ( 0.000 7.144 -4.985) 8.711 3.669 ( -0.000 -6.716 -10.110) 12.138 4.218 ( 0.000 24.199 3.911) 24.513 4.362 ( -0.000 -11.773 -6.362) 13.382 4.424 ( -0.000 -5.786 6.220) 8.495 5.038 ( -0.000 -12.262 11.392) 16.737 5.159 ( 0.000 5.642 -6.132) 8.333 6.076 ( 0.000 17.430 9.680) 19.938 6.137 ( -0.000 -0.916 11.648) 11.684 6.358 ( 0.000 2.649 7.693) 8.136 7.844 ( 0.000 6.950 -14.262) 15.865 7.925 ( -0.000 -28.076 -12.501) 30.734 8.175 ( -0.000 -2.100 -1.153) 2.396 8.669 ( -0.000 -16.607 16.075) 23.113 9.689 ( -0.000 -1.654 -11.011) 11.135 10.355 ( -0.000 -6.490 -11.554) 13.252 10.372 ( -0.000 -6.956 4.202) 8.126 10.721 ( -0.000 -4.262 6.284) 7.593 10.806 ( -0.000 -2.954 9.475) 9.924 11.938 ( 0.000 4.238 -2.456) 4.898 12.254 ( 0.000 4.084 -3.559) 5.417 12.368 ( 0.000 20.320 1.176) 20.354 12.597 ( 0.000 1.529 -7.255) 7.415 13.610 ( 0.000 2.903 -25.488) 25.653 14.748 ( 0.000 0.215 22.432) 22.433 15.747 ( -0.000 -8.570 0.896) 8.616 22.886 ( 0.000 1.118 1.512) 1.880 23.270 ( 0.000 2.746 -1.768) 3.266 24.442 ( 0.000 2.554 -0.089) 2.556 24.555 ( 0.000 3.255 -1.778) 3.710 26.997 ( 0.000 6.447 -0.430) 6.462 27.191 ( 0.000 1.863 4.868) 5.212 27.756 ( -0.000 -2.434 -2.023) 3.165 27.864 ( -0.000 -7.069 -1.356) 7.198 ======================= Grid point 186 (71/180) ======================= q-point: ( 0.45 -0.55 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -30.967 0.000 -2.190) 31.044 3.048 ( -6.519 0.000 11.793) 13.475 3.601 ( -5.239 0.000 -9.189) 10.578 3.813 ( 0.702 -0.000 -1.943) 2.066 4.077 ( 0.649 -0.000 3.342) 3.404 4.437 ( -13.171 0.000 8.456) 15.652 4.499 ( 8.635 -0.000 1.544) 8.772 4.905 ( 0.610 -0.000 1.318) 1.452 5.360 ( -11.642 0.000 -7.032) 13.601 6.137 ( -3.495 0.000 15.095) 15.494 6.445 ( -2.405 0.000 2.496) 3.466 6.824 ( -0.590 0.000 15.847) 15.858 6.998 ( -3.884 0.000 -14.145) 14.668 8.003 ( 1.250 -0.000 -11.415) 11.483 8.092 ( 0.612 -0.000 -6.390) 6.419 8.414 ( -2.255 0.000 10.107) 10.355 9.452 ( 19.305 -0.000 -2.049) 19.413 10.165 ( 5.150 -0.000 -11.601) 12.692 10.445 ( -18.475 0.000 3.557) 18.815 10.680 ( -1.157 0.000 10.459) 10.523 10.820 ( -4.134 0.000 0.800) 4.210 11.958 ( 5.800 -0.000 -0.644) 5.836 12.292 ( 3.797 -0.000 -5.765) 6.902 12.530 ( 3.735 -0.000 -7.964) 8.796 12.936 ( -4.813 0.000 0.093) 4.814 13.459 ( 4.761 -0.000 -7.937) 9.255 14.915 ( 0.714 -0.000 6.888) 6.925 15.442 ( 3.625 -0.000 1.207) 3.821 22.978 ( -8.475 0.000 1.235) 8.564 23.299 ( 1.980 -0.000 -1.512) 2.491 24.548 ( -7.367 0.000 -0.464) 7.381 24.588 ( 2.784 -0.000 -1.377) 3.106 27.088 ( 1.882 -0.000 -0.371) 1.918 27.240 ( -0.143 0.000 6.362) 6.363 27.689 ( 3.092 -0.000 -2.850) 4.205 27.712 ( 1.892 -0.000 -1.324) 2.309 ======================= Grid point 188 (72/180) ======================= q-point: (-0.45 0.45 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.000 5.760 -0.498) 5.781 2.993 ( 0.000 2.610 11.791) 12.076 3.553 ( -0.000 -3.146 -8.845) 9.388 3.804 ( 0.000 5.161 -4.549) 6.879 4.130 ( -0.000 -7.259 1.987) 7.526 4.330 ( -0.000 -2.375 8.020) 8.364 4.550 ( 0.000 5.456 2.793) 6.129 4.908 ( -0.000 -0.257 2.613) 2.626 5.246 ( 0.000 2.050 -5.629) 5.991 6.110 ( -0.000 -0.813 14.847) 14.869 6.411 ( 0.000 1.465 3.354) 3.660 6.569 ( 0.000 26.370 6.905) 27.259 7.248 ( -0.000 -31.329 -6.526) 32.001 7.982 ( 0.000 4.871 -12.759) 13.657 8.118 ( -0.000 -2.783 -6.020) 6.632 8.424 ( -0.000 -5.342 10.869) 12.111 9.667 ( -0.000 -0.474 -7.828) 7.842 10.233 ( -0.000 -3.436 -11.510) 12.012 10.258 ( -0.000 -2.889 8.338) 8.824 10.660 ( -0.000 -1.308 5.407) 5.563 10.794 ( 0.000 0.469 7.196) 7.211 12.003 ( 0.000 1.518 -2.518) 2.940 12.315 ( 0.000 1.385 -3.691) 3.943 12.561 ( 0.000 0.448 -10.446) 10.456 12.815 ( 0.000 12.562 1.775) 12.686 13.540 ( -0.000 -6.109 -10.413) 12.073 14.873 ( 0.000 7.506 9.494) 12.103 15.527 ( -0.000 -8.743 0.963) 8.796 22.903 ( 0.000 0.416 1.623) 1.675 23.313 ( 0.000 1.023 -1.873) 2.134 24.479 ( 0.000 0.882 -0.042) 0.883 24.606 ( 0.000 1.113 -1.765) 2.087 27.091 ( 0.000 1.971 -0.385) 2.008 27.233 ( 0.000 1.526 6.305) 6.487 27.719 ( -0.000 -0.887 -1.510) 1.752 27.747 ( -0.000 -3.036 -2.644) 4.025 ======================= Grid point 250 (73/180) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 0.000 34.913) 34.913 1.372 ( 0.000 0.000 35.729) 35.729 1.691 ( 0.000 0.000 37.894) 37.894 3.290 ( 0.000 0.000 -6.292) 6.292 3.950 ( 0.000 0.000 -31.013) 31.013 4.051 ( 0.000 0.000 -31.439) 31.439 4.308 ( 0.000 0.000 1.030) 1.030 4.631 ( 0.000 0.000 -7.566) 7.566 6.008 ( 0.000 0.000 14.477) 14.477 6.149 ( 0.000 0.000 24.006) 24.006 7.163 ( 0.000 0.000 26.537) 26.537 7.245 ( 0.000 0.000 -14.742) 14.742 7.533 ( 0.000 0.000 19.749) 19.749 8.150 ( 0.000 0.000 -21.304) 21.304 8.264 ( 0.000 0.000 4.047) 4.047 8.840 ( 0.000 0.000 -7.954) 7.954 10.239 ( 0.000 0.000 6.190) 6.190 10.921 ( 0.000 0.000 -4.360) 4.360 10.973 ( 0.000 0.000 4.565) 4.565 11.313 ( 0.000 0.000 -7.874) 7.874 11.441 ( 0.000 0.000 4.887) 4.887 11.519 ( 0.000 0.000 -16.095) 16.095 11.654 ( 0.000 0.000 -1.207) 1.207 11.750 ( 0.000 0.000 -6.334) 6.334 12.460 ( 0.000 0.000 1.816) 1.816 12.522 ( 0.000 0.000 0.269) 0.269 15.276 ( 0.000 0.000 11.999) 11.999 15.995 ( 0.000 0.000 -4.533) 4.533 22.817 ( 0.000 0.000 1.722) 1.722 23.003 ( 0.000 0.000 -2.124) 2.124 23.934 ( 0.000 0.000 0.430) 0.430 24.010 ( 0.000 0.000 -1.129) 1.129 26.445 ( 0.000 0.000 1.406) 1.406 26.648 ( 0.000 0.000 -3.145) 3.145 28.167 ( 0.000 0.000 5.598) 5.598 28.583 ( 0.000 0.000 -3.334) 3.334 ======================= Grid point 251 (74/180) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.940 -4.176 27.962) 29.365 1.550 ( 10.364 -15.382 29.955) 35.232 2.158 ( 36.759 -10.927 31.431) 49.584 3.195 ( -9.251 -0.966 -10.521) 14.043 4.035 ( 1.332 0.768 -29.293) 29.334 4.127 ( 17.543 1.947 -24.585) 30.264 4.556 ( 21.806 -4.247 -3.955) 22.565 4.746 ( 13.236 -0.792 -6.698) 14.855 6.039 ( 2.219 1.675 17.311) 17.533 6.107 ( 1.010 1.016 23.794) 23.837 7.084 ( -8.054 9.693 24.952) 27.954 7.289 ( -9.362 8.696 21.725) 25.204 7.528 ( 23.732 3.324 -23.040) 33.243 8.194 ( -1.226 -6.412 -15.982) 17.264 8.464 ( 15.955 3.033 -6.318) 17.426 8.907 ( 0.861 -13.090 -14.482) 19.540 10.181 ( -1.665 7.782 5.984) 9.957 10.736 ( -15.404 9.873 -6.056) 19.273 10.927 ( -8.135 -8.631 -1.216) 11.923 11.333 ( -1.880 0.040 2.583) 3.195 11.363 ( -6.696 0.531 1.256) 6.834 11.483 ( 5.511 9.617 -9.114) 14.349 11.678 ( 0.404 -2.466 -2.618) 3.619 11.829 ( 2.127 -11.174 -7.300) 13.516 12.290 ( 6.217 22.875 8.304) 25.117 12.674 ( 1.637 -7.625 -7.131) 10.567 15.304 ( -4.552 -11.542 9.598) 15.686 15.686 ( -27.573 1.887 8.451) 28.901 22.893 ( 8.353 -0.450 2.289) 8.673 23.330 ( 29.378 5.953 -13.519) 32.882 23.967 ( 3.255 -0.581 0.354) 3.325 24.114 ( 7.090 -11.018 -5.561) 14.233 26.455 ( 0.756 -1.407 1.392) 2.119 26.683 ( -0.855 -6.879 -4.152) 8.081 28.120 ( -3.250 3.773 5.571) 7.472 28.423 ( -13.894 2.989 2.946) 14.514 ======================= Grid point 252 (75/180) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 18.856 -13.528 15.513) 27.914 1.962 ( 12.834 -21.162 20.911) 32.401 2.965 ( 36.588 -7.393 14.336) 39.985 3.086 ( 1.760 -4.887 -6.157) 8.055 4.041 ( -0.642 -0.750 -27.277) 27.295 4.437 ( 21.365 3.979 -16.870) 27.512 5.015 ( 25.627 -3.978 -3.207) 26.132 5.089 ( 24.957 -3.489 -5.082) 25.707 5.995 ( 0.708 6.636 23.413) 24.346 6.233 ( 8.624 -4.419 18.356) 20.757 6.652 ( -17.852 19.641 23.549) 35.483 7.171 ( -3.627 0.259 21.965) 22.264 7.755 ( 9.583 6.275 -18.971) 22.161 8.222 ( -1.299 0.932 -13.283) 13.379 8.572 ( 2.453 1.387 -9.230) 9.651 9.039 ( -0.894 -0.159 -27.019) 27.035 10.015 ( -3.565 13.901 5.764) 15.465 10.385 ( -11.493 5.129 -8.834) 15.377 10.877 ( -8.744 -8.350 -0.883) 12.122 11.175 ( -10.166 1.750 5.834) 11.851 11.334 ( -0.448 -0.768 -3.375) 3.490 11.480 ( -1.146 -0.488 -2.664) 2.940 11.716 ( 1.586 -2.063 -1.565) 3.036 12.043 ( 7.194 -8.217 -3.115) 11.357 12.190 ( 8.928 16.288 6.644) 19.727 12.717 ( 1.621 3.459 -11.738) 12.344 15.219 ( -24.620 -3.100 17.726) 30.495 15.385 ( -5.929 -14.580 3.823) 16.197 23.078 ( 12.614 0.117 3.136) 12.998 23.580 ( 11.482 7.916 -9.168) 16.690 24.045 ( 4.504 -1.742 0.812) 4.897 24.455 ( 18.113 -5.071 -15.346) 24.275 26.513 ( 2.541 -4.137 0.498) 4.880 26.754 ( -1.718 -9.336 -5.702) 11.074 27.974 ( -7.064 6.254 6.934) 11.708 28.168 ( -12.298 1.139 6.455) 13.936 ======================= Grid point 253 (76/180) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 20.916 -15.994 7.990) 27.516 2.403 ( 12.091 -19.826 13.479) 26.851 3.008 ( -1.884 -2.425 -9.271) 9.767 3.812 ( 34.313 -4.863 2.257) 34.729 4.055 ( 5.328 -5.096 -16.026) 17.641 4.712 ( 15.519 2.521 -10.715) 19.026 5.467 ( 21.777 -1.927 4.562) 22.333 5.587 ( 26.166 -4.775 -2.255) 26.694 5.942 ( -0.098 5.985 18.596) 19.536 6.169 ( -7.724 19.244 23.500) 31.341 6.448 ( 9.179 -5.678 15.784) 19.122 7.111 ( -3.709 -0.100 17.979) 18.357 7.763 ( 0.374 5.604 -14.686) 15.724 8.088 ( -8.029 8.227 -12.133) 16.713 8.505 ( -7.720 7.147 -11.541) 15.616 8.892 ( -9.728 0.831 -18.573) 20.983 9.804 ( -0.612 16.505 3.644) 16.914 10.242 ( -7.631 -3.935 -10.275) 13.390 10.850 ( -2.784 -5.176 -0.710) 5.920 10.991 ( -10.104 0.618 4.094) 10.920 11.353 ( 1.769 -0.207 -5.289) 5.581 11.449 ( -6.066 -5.486 -4.067) 9.134 11.779 ( 2.899 -1.402 1.665) 3.625 12.075 ( 6.446 13.652 9.402) 17.785 12.323 ( 6.440 -4.664 1.956) 8.189 12.699 ( 3.622 4.852 -19.316) 20.243 14.896 ( -17.925 -3.170 18.953) 26.279 15.462 ( -4.775 -14.119 -1.466) 14.977 23.280 ( 11.930 1.483 2.972) 12.384 23.628 ( 3.374 3.761 -4.818) 6.982 24.151 ( 4.829 -2.844 2.067) 5.973 24.737 ( 13.763 2.627 -13.449) 19.421 26.621 ( 4.077 -4.676 -0.751) 6.248 26.826 ( -2.058 -9.162 -6.840) 11.618 27.788 ( -6.910 4.629 7.884) 11.460 27.983 ( -8.699 1.584 4.991) 10.153 ======================= Grid point 254 (77/180) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 16.890 -12.096 4.395) 21.235 2.774 ( 8.449 -15.015 7.474) 18.780 3.052 ( 3.337 -3.903 -3.702) 6.330 3.916 ( -1.594 3.873 -18.398) 18.869 4.584 ( 23.996 -8.142 0.354) 25.342 4.922 ( 11.488 -3.190 -4.772) 12.843 5.595 ( -9.972 13.792 23.510) 29.024 5.633 ( 1.052 4.571 20.174) 20.712 6.107 ( 22.446 -6.788 -0.473) 23.454 6.324 ( 27.080 2.185 4.160) 27.484 6.624 ( 5.011 -3.074 7.784) 9.755 7.040 ( -4.030 2.646 12.076) 13.003 7.639 ( -6.674 6.940 -13.480) 16.565 7.854 ( -7.223 6.085 -7.618) 12.134 8.196 ( -15.448 8.398 -10.024) 20.240 8.771 ( -7.668 -2.831 -5.142) 9.657 9.635 ( 0.227 13.069 0.584) 13.084 10.179 ( -5.874 -4.715 -9.815) 12.373 10.829 ( -10.177 -4.289 4.159) 11.801 10.894 ( 3.801 1.570 -2.303) 4.714 11.365 ( -0.935 0.831 -9.010) 9.096 11.438 ( -2.655 -7.412 -5.695) 9.716 11.802 ( 0.944 3.888 3.355) 5.221 12.068 ( 6.117 6.227 11.428) 14.381 12.382 ( 0.591 2.655 5.496) 6.132 12.768 ( 5.602 -1.371 -22.551) 23.277 14.684 ( -11.263 -2.437 18.460) 21.762 15.528 ( -3.015 -9.386 -5.150) 11.123 23.429 ( 8.180 2.214 1.889) 8.683 23.631 ( 0.488 1.040 -2.892) 3.111 24.258 ( 3.947 -2.604 3.504) 5.885 24.875 ( 7.639 3.706 -9.511) 12.749 26.732 ( 3.699 -2.817 -1.352) 4.842 26.887 ( -1.503 -7.298 -7.800) 10.787 27.657 ( -3.803 2.767 6.903) 8.353 27.837 ( -6.342 1.665 4.555) 7.984 ======================= Grid point 255 (78/180) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.516 -3.070 3.953) 5.602 3.039 ( 6.151 -6.446 4.284) 9.886 3.186 ( 4.559 -3.700 -1.464) 6.051 3.842 ( -1.777 2.387 -14.662) 14.961 4.821 ( 4.701 0.329 5.047) 6.906 5.066 ( -3.658 -2.151 0.171) 4.247 5.455 ( 4.599 3.567 17.085) 18.049 5.642 ( 5.221 0.183 20.292) 20.954 6.492 ( 14.876 -4.491 -1.934) 15.659 6.572 ( -2.409 -1.699 -3.767) 4.784 6.731 ( 2.465 4.573 -0.954) 5.282 6.958 ( 7.552 3.464 7.499) 11.192 7.516 ( -1.831 1.159 -11.715) 11.913 7.703 ( -7.936 -1.021 -2.657) 8.431 7.890 ( -8.698 5.404 1.759) 10.390 8.690 ( -3.593 -0.684 0.478) 3.689 9.540 ( 0.587 5.050 -3.711) 6.295 10.146 ( -2.484 -1.968 -7.300) 7.959 10.743 ( -3.538 -1.492 2.286) 4.468 10.935 ( 1.728 0.430 -1.369) 2.246 11.336 ( -1.327 -0.277 -11.726) 11.804 11.487 ( 0.022 -3.519 -8.091) 8.823 11.756 ( 0.108 3.842 5.872) 7.018 12.108 ( 2.421 0.991 12.046) 12.327 12.350 ( -0.197 1.899 3.183) 3.712 12.855 ( 2.233 -1.143 -19.840) 19.998 14.575 ( -3.934 -0.895 18.041) 18.487 15.565 ( -1.011 -3.249 -7.022) 7.803 23.503 ( 3.019 1.193 0.974) 3.389 23.627 ( -0.246 -0.056 -2.051) 2.066 24.326 ( 1.535 -1.042 4.354) 4.732 24.927 ( 2.425 1.537 -7.418) 7.954 26.795 ( 1.367 -0.795 -1.624) 2.267 26.931 ( -0.396 -2.947 -8.387) 8.899 27.597 ( -0.978 1.020 5.768) 5.939 27.746 ( -2.593 0.678 5.095) 5.757 ======================= Grid point 262 (79/180) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 19.838 -0.000 18.856) 27.370 1.646 ( 15.773 -0.000 27.513) 31.714 2.865 ( 48.984 -0.000 22.971) 54.103 3.046 ( -7.074 0.000 -12.109) 14.024 4.038 ( 0.240 -0.000 -29.100) 29.101 4.482 ( 19.713 -0.000 -19.036) 27.404 4.967 ( 28.085 -0.000 -3.765) 28.336 5.046 ( 22.716 -0.000 -5.068) 23.275 6.111 ( 1.388 -0.000 26.184) 26.221 6.152 ( 7.975 -0.000 17.092) 18.861 6.985 ( -23.354 0.000 22.805) 32.641 7.058 ( -6.118 0.000 23.685) 24.462 7.886 ( 13.009 -0.000 -17.704) 21.970 8.143 ( -0.420 0.000 -18.019) 18.024 8.732 ( -5.438 0.000 -11.238) 12.485 8.915 ( 17.331 -0.000 -31.958) 36.354 10.217 ( -1.397 0.000 0.810) 1.615 10.559 ( -16.197 0.000 -9.229) 18.642 10.659 ( -10.421 0.000 2.912) 10.821 11.207 ( -10.245 0.000 5.784) 11.765 11.265 ( -4.983 0.000 1.254) 5.138 11.518 ( -4.300 0.000 -7.335) 8.503 11.743 ( 2.902 -0.000 -1.803) 3.417 11.858 ( 11.738 -0.000 -5.432) 12.934 12.568 ( 2.324 -0.000 2.137) 3.158 12.643 ( 7.476 -0.000 2.187) 7.789 15.134 ( -7.148 0.000 7.709) 10.513 15.220 ( -24.692 0.000 15.061) 28.923 23.081 ( 13.636 -0.000 3.519) 14.083 23.671 ( 3.725 -0.000 -9.139) 9.870 24.084 ( 4.032 -0.000 -1.282) 4.231 24.352 ( 31.704 -0.000 -22.528) 38.893 26.471 ( 2.310 -0.000 0.742) 2.427 26.628 ( -0.920 0.000 -2.629) 2.785 28.069 ( -5.496 0.000 4.768) 7.276 28.158 ( -16.774 0.000 11.120) 20.125 ======================= Grid point 263 (80/180) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 23.653 -4.421 14.580) 28.135 2.048 ( 20.112 -10.889 15.775) 27.783 2.970 ( -2.385 -0.896 -9.984) 10.304 3.689 ( 45.395 -3.861 13.665) 47.565 4.038 ( 0.130 0.980 -26.827) 26.845 4.745 ( 11.837 0.512 -11.870) 16.771 5.420 ( 23.584 -1.002 1.457) 23.650 5.486 ( 26.337 -3.325 -2.187) 26.636 6.112 ( 2.324 6.879 22.440) 23.585 6.330 ( 8.505 -4.453 16.845) 19.389 6.537 ( -14.575 12.482 22.426) 29.515 6.994 ( -8.540 -7.835 19.066) 22.312 7.944 ( 2.730 8.583 -14.064) 16.701 8.157 ( -4.271 -2.840 -13.503) 14.444 8.618 ( -2.516 4.914 -13.457) 14.545 8.948 ( -13.565 1.016 -26.708) 29.972 10.093 ( -7.314 5.851 -4.550) 10.413 10.239 ( -13.586 5.675 -9.985) 17.790 10.662 ( 0.036 -7.525 5.718) 9.451 11.041 ( -7.450 1.703 3.028) 8.220 11.223 ( -4.185 -6.656 1.771) 8.060 11.436 ( -4.206 0.726 -8.363) 9.389 11.807 ( 7.304 3.332 0.164) 8.030 12.087 ( 8.892 -6.667 -2.137) 11.318 12.500 ( 4.408 14.873 6.588) 16.853 12.778 ( 3.542 -1.750 -4.788) 6.207 14.868 ( -14.607 2.827 14.506) 20.779 15.119 ( -5.940 -14.443 2.625) 15.836 23.313 ( 13.857 1.117 3.761) 14.402 23.657 ( -2.859 -0.367 -2.984) 4.149 24.150 ( 5.326 1.348 -0.450) 5.512 24.805 ( 20.757 2.539 -24.352) 32.098 26.545 ( 5.512 -1.860 -0.810) 5.874 26.647 ( -0.698 -5.418 -2.995) 6.230 27.886 ( -10.256 3.826 10.896) 15.445 27.978 ( -8.650 -1.695 5.747) 10.522 ======================= Grid point 264 (81/180) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 23.037 -9.313 9.405) 26.569 2.494 ( 18.851 -9.418 7.840) 22.483 2.988 ( 2.705 -1.920 -5.203) 6.170 4.010 ( -0.436 3.692 -23.106) 23.403 4.415 ( 33.504 -5.498 4.455) 34.244 4.873 ( 3.540 -1.699 -4.672) 6.103 5.683 ( 5.876 0.638 15.917) 16.979 5.875 ( -15.323 10.664 22.351) 29.122 5.958 ( 23.022 -5.653 1.152) 23.734 6.403 ( 9.748 2.968 10.915) 14.932 6.590 ( 16.501 0.921 10.166) 19.403 6.958 ( -5.462 -7.535 11.956) 15.151 7.857 ( -1.374 8.927 -11.630) 14.725 7.984 ( -13.498 5.557 -10.488) 17.974 8.413 ( -17.107 10.417 -13.722) 24.279 8.713 ( -6.602 -2.680 -10.971) 13.082 9.883 ( -10.035 7.569 -6.323) 14.070 10.028 ( -10.734 -6.441 -9.357) 15.629 10.704 ( -2.689 -2.866 9.782) 10.542 10.958 ( 0.024 2.078 -2.507) 3.256 11.252 ( -3.554 -8.621 -3.116) 9.832 11.384 ( -0.458 0.240 -6.712) 6.732 11.899 ( 8.468 4.656 2.011) 9.870 12.220 ( 1.963 2.545 4.573) 5.590 12.437 ( 3.721 7.108 7.101) 10.714 12.829 ( 4.789 2.758 -15.355) 16.319 14.652 ( -8.271 1.751 14.945) 17.171 15.230 ( -2.304 -16.523 -2.651) 16.893 23.482 ( 7.691 2.703 2.199) 8.444 23.622 ( -1.828 -1.914 -1.009) 2.832 24.230 ( 4.973 -0.052 1.764) 5.276 24.996 ( 9.391 6.276 -16.691) 20.154 26.671 ( 4.647 -2.604 -1.304) 5.484 26.725 ( 3.053 -6.467 -5.417) 8.972 27.715 ( -6.077 2.383 9.130) 11.224 27.850 ( -7.776 -0.385 4.817) 9.155 ======================= Grid point 265 (82/180) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 11.167 -5.249 4.334) 13.078 2.903 ( 18.724 -5.755 4.380) 20.072 3.104 ( 7.692 -2.955 -0.727) 8.272 3.941 ( -1.515 5.652 -17.741) 18.681 4.823 ( 8.803 -0.297 1.385) 8.917 4.940 ( -1.534 -7.032 -0.419) 7.209 5.592 ( -2.492 5.784 20.055) 21.021 5.667 ( -2.371 3.506 22.328) 22.725 6.357 ( 14.705 -6.903 2.725) 16.472 6.501 ( -0.343 -3.981 1.213) 4.176 6.821 ( 4.042 3.045 -0.781) 5.120 6.985 ( 4.318 -1.223 5.299) 6.944 7.675 ( -4.055 10.057 -8.632) 13.859 7.710 ( -10.365 2.782 -6.723) 12.663 8.024 ( -14.361 6.390 -1.873) 15.830 8.689 ( 0.242 0.437 -2.982) 3.023 9.623 ( -13.407 2.118 -6.907) 15.230 9.995 ( -5.220 -10.009 -8.137) 13.916 10.690 ( -0.625 -1.848 7.298) 7.554 10.947 ( -0.355 1.116 -2.593) 2.845 11.274 ( -2.453 -5.190 -10.796) 12.228 11.426 ( 3.541 -1.720 -2.237) 4.528 11.961 ( 7.852 10.626 1.705) 13.322 12.147 ( -2.938 4.225 9.696) 10.977 12.420 ( -0.042 3.442 6.224) 7.112 12.896 ( 6.479 3.228 -21.084) 22.292 14.554 ( -2.004 0.511 16.150) 16.282 15.381 ( 0.415 -12.923 -5.660) 14.114 23.500 ( -2.604 -0.957 1.253) 3.045 23.646 ( 2.573 1.275 -1.580) 3.278 24.306 ( 3.272 -0.654 3.986) 5.198 25.019 ( 2.323 6.050 -10.684) 12.496 26.746 ( 1.100 -3.453 -1.479) 3.914 26.872 ( 7.248 -2.149 -6.892) 10.230 27.623 ( -2.981 1.233 6.334) 7.108 27.743 ( -5.271 -0.885 5.180) 7.444 ======================= Grid point 266 (83/180) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 4.449 1.290 3.488) 5.799 3.153 ( 7.484 2.811 1.927) 8.224 3.242 ( 4.867 1.593 -0.164) 5.123 3.858 ( -0.681 3.871 -13.416) 13.980 4.819 ( -5.502 0.292 7.248) 9.104 4.982 ( 0.856 -8.042 3.400) 8.773 5.506 ( -5.717 6.661 12.183) 15.015 5.612 ( -7.334 -2.695 17.472) 19.140 6.493 ( -7.056 -5.549 -0.603) 8.997 6.570 ( -1.245 -1.473 -6.457) 6.739 6.667 ( -4.031 0.456 -0.148) 4.060 6.913 ( -16.476 0.040 1.713) 16.565 7.603 ( 5.682 7.437 -8.510) 12.650 7.745 ( 11.487 1.456 -3.140) 11.997 7.799 ( -5.019 -1.477 7.910) 9.483 8.718 ( 5.224 1.628 2.401) 5.976 9.419 ( -12.447 -5.440 -3.457) 14.017 10.054 ( -1.043 -9.558 -8.906) 13.106 10.728 ( 1.299 -2.273 2.091) 3.350 10.927 ( 0.266 0.491 -1.503) 1.603 11.297 ( -0.610 -3.503 -11.468) 12.007 11.513 ( 4.694 -1.008 -3.800) 6.122 11.896 ( 2.515 14.965 1.607) 15.259 12.086 ( -2.914 -0.747 12.065) 12.434 12.371 ( -0.801 3.024 3.361) 4.591 12.941 ( 4.001 5.479 -20.799) 21.878 14.574 ( 4.533 -0.281 17.348) 17.933 15.519 ( 2.419 -7.321 -6.634) 10.172 23.454 ( -5.242 -2.711 1.368) 6.058 23.648 ( -0.702 1.386 -2.883) 3.275 24.345 ( 1.135 0.550 4.819) 4.981 24.958 ( -2.589 3.986 -7.458) 8.844 26.787 ( 0.547 -1.268 -1.210) 1.836 26.989 ( 6.305 2.081 -7.840) 10.274 27.580 ( -1.528 -0.507 5.325) 5.563 27.713 ( -0.208 -2.240 4.961) 5.447 ======================= Grid point 267 (84/180) ======================= q-point: (-0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -3.738 9.277 2.590) 10.331 3.093 ( -1.531 10.794 0.520) 10.914 3.185 ( -2.881 10.250 1.255) 10.721 3.864 ( 2.591 -0.678 -13.326) 13.592 4.702 ( -9.740 2.047 -0.329) 9.959 5.030 ( -19.041 4.689 -7.012) 20.826 5.270 ( -1.935 -13.417 22.188) 26.001 5.534 ( -4.265 -3.426 21.310) 22.001 6.188 ( -24.308 0.093 -2.490) 24.435 6.370 ( -25.507 5.705 0.106) 26.137 6.679 ( 3.293 -0.124 1.341) 3.558 6.854 ( 1.403 -9.419 8.011) 12.444 7.625 ( 6.260 3.675 -6.749) 9.911 7.733 ( 0.045 -4.008 -3.056) 5.041 8.052 ( 12.523 -4.784 -5.606) 14.530 8.829 ( 9.637 1.899 1.366) 9.917 9.353 ( -6.580 -11.942 3.232) 14.013 10.156 ( 1.714 -7.165 -11.034) 13.267 10.749 ( -3.067 -5.105 -1.484) 6.138 10.977 ( 7.581 2.887 1.596) 8.268 11.321 ( -1.640 -3.360 -9.507) 10.216 11.592 ( 5.919 3.844 -9.264) 11.646 11.783 ( -0.504 5.598 5.460) 7.836 12.022 ( -4.164 2.447 11.706) 12.663 12.343 ( -0.044 0.470 1.669) 1.735 12.898 ( 0.074 8.574 -20.987) 22.671 14.706 ( 10.445 -0.566 18.398) 21.163 15.620 ( 3.988 -1.252 -5.763) 7.119 23.380 ( -7.133 -2.225 1.562) 7.634 23.599 ( -4.884 -1.358 -3.399) 6.103 24.330 ( -0.331 3.295 4.178) 5.331 24.851 ( -6.546 1.512 -6.287) 9.202 26.787 ( -0.196 2.016 -0.678) 2.136 27.032 ( 4.185 5.698 -7.906) 10.606 27.596 ( 1.558 -2.697 5.612) 6.418 27.778 ( 3.826 -3.560 3.745) 6.429 ======================= Grid point 268 (85/180) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -14.146 18.821 3.780) 23.846 2.870 ( -5.951 21.425 8.413) 23.774 3.076 ( 1.110 3.802 -7.516) 8.496 3.867 ( -8.419 1.565 -10.728) 13.727 4.285 ( -22.112 13.379 -3.847) 26.129 4.639 ( -20.509 -3.982 -8.227) 22.453 5.423 ( -15.214 -6.573 12.935) 21.024 5.613 ( 1.725 -9.752 14.182) 17.298 5.763 ( -18.515 -7.705 5.875) 20.897 5.956 ( -10.372 5.998 8.247) 14.546 6.584 ( -7.813 6.447 13.562) 16.927 6.983 ( -0.752 -9.941 13.171) 16.518 7.722 ( 1.871 0.815 -10.998) 11.186 7.880 ( 10.713 -9.990 -9.909) 17.685 8.276 ( 5.548 -10.702 -9.881) 15.587 8.956 ( 8.750 4.348 -8.060) 12.666 9.452 ( -0.090 -14.943 7.773) 16.844 10.262 ( 3.472 -4.152 -11.547) 12.753 10.781 ( -0.147 -6.734 0.281) 6.741 11.086 ( 9.398 4.225 2.135) 10.523 11.296 ( -6.164 -4.143 -6.161) 9.650 11.615 ( 5.953 8.298 -6.638) 12.180 11.790 ( 0.702 -4.430 2.688) 5.229 11.898 ( -5.470 4.630 10.086) 12.373 12.353 ( 0.132 -1.125 1.362) 1.771 12.764 ( -3.097 9.969 -23.580) 25.787 14.929 ( 15.172 -0.855 19.331) 24.589 15.678 ( 5.116 4.656 -3.199) 7.621 23.257 ( -9.576 -0.604 2.009) 9.804 23.521 ( -8.659 -4.867 -3.928) 10.682 24.265 ( -0.837 6.345 2.697) 6.945 24.708 ( -9.500 0.166 -6.671) 11.610 26.735 ( -1.040 5.293 -0.133) 5.395 27.014 ( 2.854 7.609 -7.138) 10.817 27.689 ( 4.640 -4.295 5.408) 8.320 27.910 ( 6.366 -4.694 3.122) 8.503 ======================= Grid point 269 (86/180) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -14.831 22.810 7.447) 28.208 2.462 ( -13.468 22.472 13.968) 29.690 3.079 ( 0.659 3.913 -9.194) 10.013 3.343 ( -27.133 16.369 9.507) 33.084 4.093 ( 1.397 4.201 -21.710) 22.157 4.324 ( -23.457 -5.693 -12.286) 27.085 5.086 ( -23.010 0.916 0.410) 23.032 5.195 ( -26.259 6.020 -5.234) 27.444 5.876 ( 1.006 -3.598 20.843) 21.175 6.168 ( 14.821 -21.838 21.048) 33.757 6.354 ( -9.633 5.644 17.263) 20.559 7.052 ( -2.871 -8.669 18.133) 20.303 7.669 ( -9.367 -2.159 -15.935) 18.610 8.129 ( 7.017 -4.372 -5.326) 9.834 8.510 ( 5.241 -11.967 -11.221) 17.222 9.015 ( 4.633 3.995 -16.033) 17.161 9.679 ( 7.422 -15.937 6.191) 18.638 10.356 ( 3.926 -1.353 -11.025) 11.781 10.896 ( 4.954 -5.403 2.488) 7.741 11.142 ( -3.510 -3.142 -2.152) 5.179 11.284 ( 3.587 -1.937 0.789) 4.153 11.612 ( 3.352 8.477 0.033) 9.116 11.763 ( -6.652 -2.283 8.792) 11.259 11.853 ( 1.391 -1.244 -2.247) 2.920 12.315 ( -2.882 7.369 -2.245) 8.225 12.638 ( -1.545 1.612 -23.986) 24.090 15.229 ( 18.666 -2.405 19.062) 26.788 15.685 ( 5.428 10.020 0.713) 11.418 23.083 ( -10.646 0.657 2.335) 10.919 23.406 ( -13.182 -6.473 -5.028) 15.522 24.170 ( -0.881 7.957 1.255) 8.104 24.530 ( -10.211 2.102 -7.824) 13.035 26.644 ( -1.300 7.185 0.481) 7.318 26.965 ( 2.133 8.827 -6.738) 11.308 27.835 ( 5.594 -6.011 5.274) 9.759 28.090 ( 8.250 -5.621 3.005) 10.425 ======================= Grid point 270 (87/180) ======================= q-point: (-0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -8.597 21.227 16.450) 28.198 1.942 ( -20.153 18.386 21.520) 34.747 2.608 ( -17.332 27.380 22.696) 39.562 3.232 ( 8.533 2.511 -11.242) 14.336 3.971 ( -17.638 -4.968 -21.226) 28.041 4.120 ( -1.131 2.200 -22.967) 23.100 4.705 ( -17.883 7.943 -5.085) 20.218 4.773 ( -15.187 1.551 -4.989) 16.061 5.953 ( 2.566 -3.942 22.317) 22.807 6.143 ( -7.345 3.677 16.093) 18.068 6.677 ( 13.348 -24.025 20.522) 34.301 7.086 ( -4.517 -8.939 21.279) 23.518 7.459 ( -17.212 -1.923 -17.352) 24.516 8.235 ( 2.986 -1.182 -1.944) 3.754 8.588 ( -0.241 6.380 -9.699) 11.612 9.052 ( 1.179 -0.436 -15.376) 15.427 10.003 ( 9.399 -9.246 3.232) 13.575 10.489 ( 9.912 -9.254 -9.368) 16.482 10.963 ( -7.657 -7.808 -2.923) 11.320 11.170 ( 1.019 -8.748 -0.599) 8.828 11.383 ( 6.929 5.548 6.117) 10.780 11.527 ( -0.720 7.143 0.082) 7.180 11.749 ( -0.316 -4.203 3.841) 5.703 11.857 ( -4.694 -4.979 1.992) 7.127 12.125 ( -3.031 13.152 -9.390) 16.442 12.665 ( 0.554 -4.413 -18.667) 19.189 15.581 ( 12.882 -3.271 11.202) 17.382 15.646 ( 9.228 10.829 8.393) 16.518 22.912 ( -7.786 1.196 2.085) 8.149 23.208 ( -16.709 -3.429 -5.187) 17.829 24.069 ( -0.702 7.461 0.466) 7.509 24.333 ( -6.517 7.208 -7.841) 12.487 26.546 ( -0.799 6.702 1.190) 6.854 26.889 ( 1.199 9.879 -6.719) 12.008 27.988 ( 3.523 -7.049 5.366) 9.534 28.304 ( 8.321 -7.359 1.675) 11.234 ======================= Grid point 271 (88/180) ======================= q-point: (-0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 11.839 30.079) 32.325 1.491 ( 0.000 14.756 27.376) 31.100 2.122 ( 0.000 30.886 29.969) 43.036 3.310 ( 0.000 1.511 -7.493) 7.644 3.855 ( -0.000 -6.683 -25.017) 25.895 4.084 ( 0.000 3.175 -28.820) 28.994 4.431 ( 0.000 9.105 -4.048) 9.965 4.638 ( 0.000 0.518 -6.387) 6.407 6.032 ( 0.000 2.222 13.691) 13.870 6.047 ( -0.000 -6.047 25.456) 26.164 7.093 ( -0.000 -5.735 25.685) 26.317 7.123 ( -0.000 -26.653 15.545) 30.855 7.262 ( 0.000 1.463 -14.378) 14.452 8.267 ( 0.000 0.073 2.653) 2.654 8.432 ( 0.000 16.060 -12.574) 20.397 9.021 ( 0.000 7.684 -13.722) 15.727 10.128 ( -0.000 -4.804 4.450) 6.548 10.837 ( -0.000 -6.217 -2.715) 6.784 10.934 ( -0.000 -18.448 -9.333) 20.674 11.273 ( -0.000 -5.073 -2.222) 5.539 11.335 ( 0.000 3.574 2.580) 4.408 11.476 ( 0.000 5.111 0.336) 5.122 11.746 ( 0.000 6.637 -2.532) 7.103 11.896 ( -0.000 -3.834 0.546) 3.873 12.015 ( -0.000 -6.523 1.469) 6.686 12.703 ( -0.000 -0.563 -15.012) 15.022 15.496 ( 0.000 15.024 8.071) 17.055 15.882 ( -0.000 -8.732 5.380) 10.257 22.828 ( 0.000 0.921 1.832) 2.051 23.025 ( 0.000 1.856 -2.231) 2.902 23.990 ( 0.000 5.492 0.319) 5.501 24.178 ( 0.000 10.371 -6.118) 12.041 26.479 ( 0.000 4.138 1.612) 4.441 26.788 ( 0.000 9.923 -6.068) 11.631 28.092 ( -0.000 -6.079 5.648) 8.298 28.479 ( -0.000 -8.128 -1.190) 8.214 ======================= Grid point 274 (89/180) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 23.878 -0.000 13.055) 27.214 2.386 ( 24.554 -0.000 6.655) 25.440 2.967 ( 2.695 -0.000 -5.729) 6.331 4.050 ( 0.850 -0.000 -23.720) 23.735 4.362 ( 35.574 -0.000 4.718) 35.885 4.850 ( 1.192 -0.000 -4.235) 4.399 5.686 ( 8.518 -0.000 13.333) 15.822 5.890 ( 23.236 -0.000 1.517) 23.285 6.011 ( -18.327 0.000 22.760) 29.222 6.424 ( 4.208 -0.000 12.067) 12.780 6.640 ( 18.115 -0.000 12.787) 22.174 6.830 ( -3.719 0.000 10.849) 11.469 7.951 ( -8.538 0.000 -10.380) 13.441 8.064 ( -5.682 0.000 -11.697) 13.004 8.591 ( -26.982 0.000 -15.851) 31.294 8.638 ( 2.057 -0.000 -12.643) 12.809 9.927 ( -11.645 0.000 -7.820) 14.027 9.978 ( -19.384 0.000 -10.520) 22.055 10.707 ( 2.303 -0.000 12.107) 12.325 10.983 ( 0.536 -0.000 -3.382) 3.424 11.120 ( -2.877 0.000 -0.596) 2.938 11.386 ( -1.563 0.000 -6.652) 6.833 11.969 ( 8.200 -0.000 1.941) 8.427 12.197 ( 8.082 -0.000 0.259) 8.086 12.639 ( 1.798 -0.000 1.328) 2.235 12.790 ( 1.014 -0.000 -1.869) 2.126 14.782 ( -2.548 0.000 7.613) 8.028 14.919 ( -4.278 0.000 1.695) 4.602 23.535 ( 10.949 -0.000 2.318) 11.192 23.575 ( -5.495 0.000 0.168) 5.498 24.234 ( 4.220 -0.000 0.797) 4.294 25.082 ( 9.711 -0.000 -21.830) 23.893 26.622 ( 1.185 -0.000 -1.017) 1.561 26.660 ( 9.241 -0.000 -3.008) 9.718 27.748 ( -7.574 0.000 11.438) 13.718 27.839 ( -7.677 0.000 3.727) 8.534 ======================= Grid point 275 (90/180) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 20.297 -1.980 5.300) 21.070 2.794 ( 21.881 -3.268 3.393) 22.383 3.065 ( 8.905 -0.759 -0.281) 8.941 4.048 ( 0.472 3.013 -20.852) 21.074 4.810 ( 12.368 -0.804 -0.013) 12.394 4.822 ( -2.921 -2.705 0.945) 4.092 5.655 ( -11.095 1.128 24.522) 26.939 5.787 ( -0.552 4.498 17.731) 18.301 6.226 ( 13.087 -3.966 6.672) 15.216 6.425 ( -2.998 -2.236 4.264) 5.672 6.851 ( 3.923 -0.067 -0.238) 3.931 6.957 ( 11.193 -0.502 3.965) 11.885 7.728 ( -13.781 0.817 -5.638) 14.912 7.916 ( -5.694 6.841 -9.953) 13.353 8.143 ( -20.791 3.409 -3.345) 21.333 8.699 ( 3.855 0.294 -5.828) 6.994 9.638 ( -20.508 -0.049 -8.078) 22.042 9.793 ( -7.949 -6.242 -9.347) 13.767 10.685 ( -1.646 0.727 10.309) 10.465 11.002 ( 1.759 4.063 -3.859) 5.873 11.136 ( -0.274 -6.525 -8.085) 10.393 11.401 ( 3.060 -0.608 -1.452) 3.441 12.066 ( 4.146 0.992 6.994) 8.191 12.294 ( 4.081 3.585 3.172) 6.291 12.574 ( 1.244 12.018 0.951) 12.119 12.872 ( 3.344 -6.835 -12.507) 14.640 14.679 ( 1.634 11.503 7.831) 14.011 15.032 ( 1.251 -17.253 -1.562) 17.368 23.481 ( -5.582 -0.526 1.602) 5.831 23.667 ( 4.519 0.474 -1.176) 4.693 24.298 ( 3.455 -0.132 3.645) 5.024 25.142 ( 1.077 3.747 -15.128) 15.623 26.673 ( 2.891 -2.291 -0.258) 3.698 26.839 ( 10.975 -0.789 -5.168) 12.157 27.649 ( -3.859 0.910 7.841) 8.786 27.717 ( -7.116 -1.031 4.252) 8.353 ======================= Grid point 276 (91/180) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 10.749 1.348 1.938) 11.005 3.140 ( 12.634 -2.914 -0.386) 12.971 3.283 ( 16.430 1.736 2.433) 16.700 3.987 ( -1.494 6.573 -14.936) 16.386 4.769 ( -7.864 -8.058 1.787) 11.400 4.851 ( -4.590 0.370 8.754) 9.891 5.527 ( -8.901 -2.683 11.036) 14.430 5.705 ( -2.262 8.894 17.077) 19.386 6.326 ( -6.786 -8.300 5.447) 12.025 6.501 ( 4.735 -3.405 0.207) 5.836 6.738 ( -15.604 4.386 -6.457) 17.448 6.919 ( -10.293 -0.301 -5.613) 11.728 7.721 ( 9.211 -1.235 5.571) 10.836 7.781 ( 0.352 7.205 -3.448) 7.996 7.855 ( -8.381 3.375 0.993) 9.089 8.750 ( 3.812 1.093 2.605) 4.744 9.320 ( -18.450 -2.972 -4.893) 19.318 9.800 ( -3.331 -11.306 -10.667) 15.897 10.678 ( -0.449 -1.743 4.736) 5.067 10.975 ( 1.471 3.593 -5.033) 6.357 11.199 ( -0.456 -4.978 -9.110) 10.391 11.489 ( 5.959 -0.882 -0.131) 6.025 12.065 ( -4.922 -0.353 12.088) 13.057 12.273 ( 6.920 13.235 0.129) 14.936 12.470 ( 0.032 8.547 1.112) 8.619 13.006 ( 5.463 -2.057 -18.953) 19.832 14.631 ( 5.186 7.050 11.861) 14.740 15.262 ( 3.983 -15.084 -4.131) 16.139 23.402 ( -5.390 -1.713 1.933) 5.977 23.675 ( -2.347 0.942 -3.717) 4.496 24.351 ( 2.831 0.124 5.388) 6.088 25.066 ( -3.961 4.704 -9.773) 11.547 26.753 ( 3.847 -1.475 0.251) 4.127 27.020 ( 10.154 0.827 -6.583) 12.130 27.578 ( -3.948 0.360 4.730) 6.171 27.656 ( -2.114 -2.636 4.988) 6.025 ======================= Grid point 277 (92/180) ======================= q-point: (-0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 6.154 5.429 1.321) 8.312 3.234 ( -0.598 3.713 -1.753) 4.149 3.464 ( 10.027 11.545 1.297) 15.346 3.893 ( -0.317 3.496 -9.651) 10.269 4.694 ( -7.945 -3.147 0.262) 8.550 4.869 ( -0.520 -12.153 13.112) 17.885 5.226 ( -30.189 2.296 -0.474) 30.280 5.526 ( -7.391 3.818 18.313) 20.114 6.148 ( -22.830 -3.544 -1.791) 23.173 6.484 ( -15.863 2.753 -0.790) 16.119 6.564 ( 2.770 -4.887 0.372) 5.630 6.800 ( 1.249 1.604 -1.957) 2.822 7.632 ( -8.741 -2.204 7.735) 11.878 7.783 ( 4.113 6.320 -4.646) 8.857 7.974 ( 10.381 -2.439 -1.859) 10.824 8.837 ( 7.324 -1.313 7.941) 10.883 9.128 ( -10.847 -7.745 -0.521) 13.338 9.913 ( 0.267 -12.845 -11.832) 17.466 10.673 ( -2.521 -1.506 -1.356) 3.235 11.005 ( 4.737 0.365 0.331) 4.762 11.225 ( -3.143 -4.817 -8.436) 10.210 11.610 ( 7.850 -0.028 -4.030) 8.824 11.929 ( -7.386 3.541 9.483) 12.531 12.246 ( 8.186 16.638 1.399) 18.596 12.388 ( -1.299 3.616 0.667) 3.900 13.070 ( 3.754 4.976 -20.783) 21.698 14.699 ( 8.608 1.561 15.665) 17.942 15.482 ( 5.067 -10.672 -4.761) 12.737 23.335 ( -5.200 -1.713 1.597) 5.703 23.581 ( -8.002 -0.308 -3.747) 8.841 24.385 ( 2.313 1.667 4.609) 5.419 24.921 ( -7.233 4.094 -6.396) 10.487 26.821 ( 3.727 1.127 0.642) 3.947 27.139 ( 6.881 4.058 -7.003) 10.623 27.540 ( -1.080 -2.351 4.902) 5.542 27.691 ( 1.664 -3.915 3.141) 5.288 ======================= Grid point 278 (93/180) ======================= q-point: (-0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -7.222 14.985 1.677) 16.719 3.172 ( 2.617 4.999 -4.755) 7.379 3.323 ( -4.641 18.801 3.179) 19.624 3.911 ( 2.359 2.458 -8.721) 9.363 4.539 ( -20.835 -4.760 -5.691) 22.117 4.572 ( -27.152 11.107 -4.619) 29.697 5.102 ( 1.057 -19.955 21.261) 29.178 5.385 ( -8.846 -4.542 15.365) 18.302 5.764 ( -24.266 0.936 -4.263) 24.655 6.139 ( -11.571 9.340 2.192) 15.031 6.690 ( -0.853 -1.069 7.139) 7.269 6.784 ( -1.871 -2.857 11.599) 12.092 7.644 ( 3.145 -9.637 -5.587) 11.575 7.769 ( 0.511 1.978 -7.482) 7.756 8.109 ( 1.778 -4.546 -4.978) 6.972 9.009 ( 10.377 -0.291 0.425) 10.390 9.140 ( -1.867 -13.281 7.578) 15.404 10.069 ( 1.773 -11.578 -12.651) 17.241 10.660 ( -0.699 -3.024 -0.774) 3.199 11.096 ( 4.063 -2.421 4.771) 6.718 11.187 ( -8.639 -5.351 -5.529) 11.568 11.749 ( 9.343 1.378 -8.525) 12.723 11.786 ( -3.042 5.204 5.498) 8.159 12.153 ( 3.480 17.342 3.561) 18.043 12.356 ( 0.444 1.331 -1.210) 1.853 13.017 ( 0.617 11.005 -21.902) 24.519 14.875 ( 11.172 -2.921 18.222) 21.573 15.662 ( 5.412 -5.794 -3.658) 8.732 23.252 ( -6.482 0.078 1.199) 6.593 23.437 ( -10.467 -2.654 -2.727) 11.138 24.388 ( 1.831 4.261 2.475) 5.257 24.744 ( -9.041 2.900 -4.453) 10.487 26.844 ( 2.580 4.414 0.900) 5.191 27.162 ( 3.150 5.952 -5.254) 8.541 27.598 ( 3.278 -3.976 3.511) 6.236 27.791 ( 3.821 -5.654 1.797) 7.057 ======================= Grid point 279 (94/180) ======================= q-point: (-0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -11.486 21.074 3.237) 24.218 2.911 ( -19.480 17.611 7.904) 27.424 3.186 ( 5.458 6.131 -9.204) 12.333 3.709 ( -14.700 15.011 -0.065) 21.010 4.178 ( -9.586 -2.272 -6.219) 11.650 4.253 ( -14.650 5.288 -13.577) 20.662 5.037 ( -19.993 -5.224 6.877) 21.779 5.328 ( -23.235 5.416 -5.522) 24.488 5.590 ( 9.593 -21.649 22.895) 32.938 5.976 ( 1.902 5.094 10.489) 11.815 6.503 ( -10.691 7.273 14.421) 19.369 6.852 ( -2.056 -8.590 16.840) 19.016 7.643 ( -8.683 -0.268 -13.979) 16.458 7.989 ( 12.605 -12.496 -6.860) 19.029 8.186 ( 0.221 -9.908 -8.282) 12.915 9.144 ( 7.712 4.423 -10.311) 13.615 9.325 ( 4.135 -16.167 9.712) 19.308 10.221 ( 2.257 -9.801 -11.800) 15.504 10.741 ( 3.140 -6.940 4.033) 8.619 11.050 ( -12.915 -4.543 -2.284) 13.880 11.192 ( 2.039 -5.879 6.496) 8.995 11.719 ( 0.700 4.267 3.189) 5.373 11.865 ( 7.707 6.169 -8.658) 13.131 12.002 ( 0.880 14.305 3.333) 14.715 12.364 ( 1.440 0.283 -4.288) 4.532 12.860 ( -2.031 14.468 -24.201) 28.269 15.124 ( 12.119 -6.405 19.515) 23.848 15.787 ( 5.058 -0.849 -1.147) 5.256 23.107 ( -9.245 1.479 1.520) 9.486 23.306 ( -9.110 -2.836 -2.604) 9.890 24.347 ( 0.767 7.297 0.540) 7.357 24.570 ( -8.242 1.871 -3.695) 9.224 26.809 ( 1.095 7.351 1.095) 7.512 27.133 ( 1.827 6.473 -3.951) 7.800 27.715 ( 4.437 -4.803 2.447) 6.981 27.939 ( 5.025 -7.496 1.025) 9.082 ======================= Grid point 280 (95/180) ======================= q-point: (-0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -16.230 20.241 9.543) 27.644 2.370 ( -15.697 20.986 13.159) 29.325 3.180 ( 1.422 15.801 -1.001) 15.896 3.371 ( 2.250 15.831 -0.996) 16.021 3.867 ( -21.562 -2.958 -13.454) 25.587 4.193 ( 3.150 3.687 -17.263) 17.931 4.765 ( -14.407 -1.123 0.624) 14.464 4.909 ( -16.125 8.573 -6.095) 19.252 5.896 ( 5.411 -4.381 21.037) 22.159 6.135 ( 8.392 -18.833 16.185) 26.212 6.259 ( -8.503 5.047 14.700) 17.716 6.892 ( -3.949 -8.454 21.902) 23.806 7.456 ( -11.354 1.550 -15.967) 19.654 8.194 ( 3.807 -2.720 -2.872) 5.490 8.424 ( 4.665 -18.490 -10.522) 21.780 9.152 ( 2.663 8.746 -9.638) 13.284 9.657 ( 10.859 -20.513 1.739) 23.275 10.348 ( 1.497 -6.676 -11.199) 13.123 10.773 ( -12.239 -7.072 2.459) 14.348 11.004 ( 3.455 -6.811 3.129) 8.253 11.312 ( 1.592 -11.179 7.664) 13.647 11.686 ( 0.409 4.493 0.878) 4.596 11.774 ( -0.428 15.598 4.015) 16.112 11.953 ( 3.097 6.041 -5.716) 8.874 12.373 ( 0.786 4.536 -6.311) 7.812 12.674 ( -1.657 9.878 -27.876) 29.620 15.403 ( 9.745 -9.851 18.643) 23.229 15.844 ( 3.630 4.005 2.185) 5.830 22.943 ( -7.488 1.539 2.028) 7.909 23.181 ( -7.445 0.459 -2.919) 8.010 24.256 ( -0.662 8.682 -0.073) 8.707 24.439 ( -4.305 2.982 -4.289) 6.769 26.726 ( 0.114 8.945 1.287) 9.038 27.082 ( 1.068 7.337 -4.298) 8.570 27.840 ( 2.977 -6.066 2.798) 7.314 28.116 ( 4.530 -9.314 0.259) 10.361 ======================= Grid point 281 (96/180) ======================= q-point: (-0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 15.923 21.079) 26.417 1.969 ( 0.000 25.821 14.469) 29.599 2.863 ( 0.000 33.315 16.740) 37.285 3.367 ( 0.000 4.736 -7.857) 9.174 3.700 ( -0.000 -6.999 -20.591) 21.748 4.179 ( 0.000 4.680 -21.906) 22.400 4.637 ( 0.000 2.706 -2.952) 4.005 4.661 ( 0.000 7.411 -5.871) 9.455 5.966 ( -0.000 -1.082 23.107) 23.132 6.106 ( 0.000 4.465 11.588) 12.419 6.513 ( -0.000 -27.506 17.075) 32.375 6.936 ( -0.000 -7.914 25.098) 26.317 7.311 ( 0.000 3.040 -15.430) 15.727 8.251 ( -0.000 -1.802 -1.058) 2.090 8.608 ( -0.000 -6.230 -9.904) 11.700 9.084 ( 0.000 5.346 -9.157) 10.603 10.006 ( -0.000 -14.706 0.015) 14.706 10.454 ( -0.000 -13.344 -12.465) 18.260 10.695 ( -0.000 -6.100 0.775) 6.149 11.131 ( -0.000 -7.052 2.593) 7.513 11.492 ( -0.000 -12.759 11.360) 17.083 11.605 ( 0.000 9.173 5.480) 10.685 11.619 ( 0.000 6.968 -2.269) 7.328 11.903 ( 0.000 7.131 -4.399) 8.379 12.257 ( 0.000 14.127 -9.814) 17.201 12.632 ( -0.000 -2.006 -24.553) 24.635 15.615 ( -0.000 -10.295 14.158) 17.505 15.813 ( 0.000 7.334 5.969) 9.456 22.856 ( 0.000 1.568 2.125) 2.640 23.081 ( 0.000 3.102 -2.514) 3.992 24.153 ( 0.000 8.512 0.027) 8.512 24.355 ( 0.000 5.456 -5.559) 7.789 26.627 ( 0.000 8.648 1.389) 8.759 27.003 ( 0.000 8.682 -5.691) 10.381 27.939 ( -0.000 -7.031 4.010) 8.095 28.271 ( -0.000 -10.251 -0.340) 10.257 ======================= Grid point 286 (97/180) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 12.943 -0.000 0.395) 12.949 3.087 ( 15.245 -0.000 0.440) 15.252 3.303 ( 19.616 -0.000 2.519) 19.777 4.078 ( 0.346 -0.000 -17.558) 17.561 4.654 ( -10.890 0.000 4.154) 11.656 4.864 ( -6.134 0.000 7.325) 9.554 5.497 ( -9.846 0.000 11.842) 15.400 5.837 ( 0.601 -0.000 17.042) 17.053 6.202 ( -9.252 0.000 7.115) 11.671 6.458 ( 6.845 -0.000 1.216) 6.952 6.804 ( -24.319 0.000 -3.295) 24.541 6.903 ( 0.048 -0.000 -11.503) 11.503 7.709 ( 5.688 -0.000 7.953) 9.778 7.871 ( -10.700 0.000 3.240) 11.179 7.894 ( -0.565 0.000 -5.561) 5.590 8.762 ( 2.493 -0.000 2.237) 3.349 9.293 ( -19.525 0.000 -4.912) 20.133 9.653 ( -3.678 0.000 -11.709) 12.273 10.659 ( -0.679 0.000 6.020) 6.058 11.052 ( -1.795 0.000 -15.767) 15.869 11.107 ( 2.690 -0.000 0.764) 2.797 11.479 ( 6.534 -0.000 0.609) 6.562 12.060 ( -3.824 0.000 11.928) 12.526 12.376 ( 2.400 -0.000 4.926) 5.480 12.750 ( 6.128 -0.000 -7.736) 9.869 12.849 ( 4.023 -0.000 -12.382) 13.019 14.879 ( 1.509 -0.000 1.851) 2.388 14.922 ( 8.738 -0.000 2.221) 9.016 23.383 ( -5.330 0.000 2.146) 5.746 23.686 ( -2.885 0.000 -4.032) 4.958 24.352 ( 3.326 -0.000 5.651) 6.557 25.125 ( -5.037 0.000 -11.267) 12.341 26.735 ( 5.593 -0.000 1.213) 5.723 27.029 ( 11.648 -0.000 -5.912) 13.063 27.592 ( -6.703 0.000 4.041) 7.827 27.615 ( -1.075 0.000 5.400) 5.506 ======================= Grid point 287 (98/180) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 9.317 2.582 0.235) 9.671 3.271 ( 5.381 0.061 -1.110) 5.495 3.635 ( 19.953 3.652 -0.358) 20.288 4.016 ( -4.203 6.214 -10.025) 12.521 4.506 ( -12.103 -9.353 2.481) 15.496 4.754 ( -4.665 -0.810 15.244) 15.962 5.229 ( -24.848 -0.673 -2.349) 24.968 5.668 ( -15.691 6.322 15.751) 23.115 6.039 ( -16.210 -5.113 0.008) 16.998 6.487 ( -5.335 0.417 1.023) 5.448 6.534 ( -2.737 -0.884 1.998) 3.502 6.855 ( -1.514 2.363 -15.521) 15.773 7.592 ( -11.504 -1.230 17.644) 21.099 7.891 ( 0.373 2.634 -3.044) 4.043 7.940 ( 7.814 -0.754 0.176) 7.852 8.794 ( 1.653 -1.475 10.084) 10.324 9.029 ( -11.681 -1.593 -3.486) 12.294 9.677 ( 1.607 -6.645 -12.367) 14.131 10.670 ( 1.543 0.555 1.260) 2.068 11.008 ( -2.044 -0.039 -10.644) 10.838 11.137 ( -1.873 -2.401 0.236) 3.054 11.610 ( 8.969 0.024 -3.566) 9.652 11.972 ( -5.456 0.842 11.629) 12.873 12.394 ( 0.918 0.933 2.649) 2.955 12.706 ( 6.568 18.644 -6.919) 20.943 13.034 ( 5.359 -8.907 -14.510) 17.849 14.832 ( 5.800 10.115 7.207) 13.707 15.190 ( 7.278 -14.069 -1.113) 15.879 23.309 ( -3.959 -0.601 1.705) 4.353 23.579 ( -9.318 0.024 -4.098) 10.179 24.407 ( 3.403 0.444 5.018) 6.080 24.996 ( -8.466 2.026 -7.495) 11.487 26.839 ( 6.532 0.448 1.857) 6.805 27.207 ( 10.019 1.767 -6.294) 11.963 27.498 ( -4.497 -1.218 4.702) 6.619 27.623 ( 0.814 -1.794 2.757) 3.388 ======================= Grid point 288 (99/180) ======================= q-point: (-0.55 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -3.593 6.936 0.726) 7.845 3.284 ( 6.461 4.978 -2.398) 8.501 3.689 ( -6.465 14.266 -2.409) 15.847 3.971 ( 8.920 2.564 -4.850) 10.472 4.388 ( -20.817 -9.479 -2.458) 23.005 4.685 ( -22.381 -6.659 14.189) 27.324 4.809 ( -2.995 0.961 0.864) 3.262 5.340 ( -17.403 -0.221 13.919) 22.286 5.760 ( -19.860 -1.069 -4.772) 20.453 6.338 ( -7.839 8.167 -0.925) 11.358 6.573 ( 3.933 -4.783 5.572) 8.330 6.835 ( -1.212 2.591 -0.440) 2.894 7.471 ( -5.254 -5.562 9.899) 12.511 7.819 ( -5.335 2.268 -6.750) 8.898 8.038 ( 1.740 -2.703 -2.378) 3.998 8.862 ( -1.625 -8.947 14.122) 16.796 8.991 ( 5.573 -2.174 -3.384) 6.873 9.824 ( 4.458 -9.278 -12.449) 16.153 10.666 ( 0.480 3.160 -2.360) 3.973 11.005 ( -2.786 -5.838 -2.814) 7.055 11.094 ( -5.960 -2.222 3.575) 7.296 11.770 ( 10.397 0.607 -9.017) 13.775 11.881 ( -2.365 3.048 7.439) 8.380 12.387 ( -0.469 1.215 -1.816) 2.235 12.592 ( 5.780 20.492 -2.017) 21.387 13.162 ( 3.749 0.261 -17.219) 17.624 14.867 ( 7.418 3.504 12.748) 15.160 15.451 ( 6.356 -12.199 -2.298) 13.946 23.256 ( -3.211 0.244 0.696) 3.294 23.398 ( -11.951 -0.963 -2.253) 12.200 24.451 ( 3.051 1.635 2.631) 4.348 24.813 ( -9.902 2.715 -4.550) 11.231 26.925 ( 5.566 2.767 1.991) 6.527 27.284 ( 3.564 5.182 -3.293) 7.100 27.508 ( 2.273 -4.353 2.287) 5.417 27.680 ( 2.185 -3.888 0.982) 4.567 ======================= Grid point 289 (100/180) ======================= q-point: (-0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -10.762 13.461 1.896) 17.339 3.233 ( -16.897 11.613 0.738) 20.516 3.348 ( -1.046 7.790 -4.349) 8.983 3.917 ( -17.787 1.921 -9.799) 20.398 4.150 ( 1.394 3.191 1.658) 3.856 4.417 ( -10.706 5.558 -3.502) 12.560 4.870 ( -9.118 -8.272 13.340) 18.153 5.191 ( -1.296 -12.524 14.913) 19.517 5.420 ( -19.258 2.771 -5.892) 20.329 6.158 ( -0.636 9.898 4.047) 10.712 6.646 ( -5.421 2.224 7.785) 9.743 6.707 ( -4.652 -1.233 17.737) 18.379 7.592 ( 4.755 -12.107 -5.875) 14.273 7.696 ( -6.553 -2.174 -11.126) 13.094 8.078 ( -0.203 -3.424 -5.182) 6.214 8.965 ( -0.961 -15.311 10.231) 18.440 9.175 ( 10.887 -1.074 -4.235) 11.731 10.003 ( 4.421 -9.035 -12.289) 15.880 10.651 ( 0.258 -0.493 2.353) 2.418 10.952 ( -10.582 -4.493 -2.850) 11.844 11.065 ( -1.880 -5.052 10.663) 11.948 11.828 ( 1.374 4.662 3.146) 5.789 11.936 ( 10.000 1.471 -12.319) 15.935 12.341 ( -1.574 5.517 -6.020) 8.316 12.457 ( 3.638 16.340 1.649) 16.821 13.149 ( 1.310 9.595 -19.823) 22.062 14.997 ( 7.677 -3.635 16.968) 18.975 15.666 ( 4.975 -9.363 -1.765) 10.749 23.143 ( -9.380 1.624 0.846) 9.557 23.266 ( -4.719 -1.089 -1.596) 5.099 24.468 ( 2.223 3.540 0.141) 4.182 24.621 ( -9.020 2.622 -2.406) 9.697 26.955 ( 3.421 5.583 1.926) 6.825 27.258 ( 1.038 4.987 -0.161) 5.097 27.620 ( 4.448 -3.965 -0.355) 5.969 27.780 ( 2.854 -6.395 -0.059) 7.003 ======================= Grid point 290 (101/180) ======================= q-point: (-0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -24.607 13.378 5.907) 28.625 2.832 ( -6.579 18.886 7.754) 21.450 3.350 ( 5.849 5.234 -10.793) 13.345 3.642 ( -11.947 1.082 -9.982) 15.606 4.041 ( -3.966 19.628 2.961) 20.243 4.261 ( 0.421 2.307 -9.124) 9.421 4.708 ( -12.445 -3.569 6.523) 14.497 5.083 ( -13.428 6.806 -5.913) 16.174 5.495 ( 7.391 -22.845 20.084) 31.304 6.099 ( 4.521 7.550 10.431) 13.647 6.402 ( -10.427 7.060 12.254) 17.571 6.724 ( -3.102 -6.521 20.551) 21.783 7.520 ( -6.504 4.132 -16.350) 18.075 7.946 ( 6.164 -21.881 -7.953) 24.084 8.124 ( 0.484 -4.609 -7.016) 8.408 9.176 ( 1.804 -20.858 11.018) 23.658 9.308 ( 6.227 3.668 -14.494) 16.196 10.172 ( 4.459 -8.263 -10.239) 13.892 10.641 ( -8.023 -4.976 6.068) 11.223 10.881 ( 0.179 -4.070 2.902) 5.002 11.092 ( -3.210 -7.687 9.845) 12.897 11.807 ( 2.191 5.327 -1.085) 5.861 12.049 ( 6.412 4.369 -9.014) 11.893 12.187 ( -0.832 16.990 0.718) 17.025 12.395 ( 0.844 2.279 -8.131) 8.487 13.008 ( -0.516 15.938 -22.529) 27.602 15.184 ( 5.655 -9.020 19.210) 21.962 15.818 ( 2.976 -5.874 -0.124) 6.586 22.977 ( -7.335 1.433 2.142) 7.775 23.209 ( -2.371 1.709 -2.598) 3.911 24.425 ( -1.541 6.242 -0.748) 6.473 24.489 ( -2.817 1.876 -1.905) 3.884 26.918 ( 1.326 7.964 1.853) 8.284 27.217 ( 0.683 5.104 0.049) 5.150 27.726 ( 2.734 -4.196 -0.350) 5.020 27.911 ( 2.497 -8.772 -0.789) 9.154 ======================= Grid point 291 (102/180) ======================= q-point: (-0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 14.406 12.810) 19.277 2.538 ( 0.000 24.072 8.354) 25.481 3.358 ( 0.000 9.654 -6.557) 11.670 3.551 ( -0.000 -6.486 -17.749) 18.897 3.710 ( 0.000 27.349 5.916) 27.981 4.259 ( 0.000 2.167 -12.918) 13.099 4.620 ( -0.000 -1.847 2.890) 3.429 4.872 ( 0.000 9.034 -6.076) 10.887 5.828 ( -0.000 -21.652 21.034) 30.186 6.103 ( 0.000 1.064 16.464) 16.499 6.221 ( 0.000 5.645 9.550) 11.094 6.765 ( -0.000 -7.182 23.185) 24.272 7.400 ( 0.000 5.101 -16.647) 17.411 8.183 ( -0.000 -4.370 -5.791) 7.255 8.245 ( -0.000 -21.547 -8.595) 23.198 9.270 ( 0.000 7.166 -3.421) 7.941 9.491 ( -0.000 -25.212 -5.288) 25.761 10.302 ( -0.000 -5.970 -9.688) 11.380 10.579 ( -0.000 -4.326 4.991) 6.605 10.978 ( -0.000 -6.510 5.238) 8.356 11.163 ( -0.000 -12.193 10.056) 15.805 11.766 ( 0.000 6.057 -2.847) 6.692 11.967 ( 0.000 19.126 4.142) 19.569 12.049 ( 0.000 5.890 -5.666) 8.173 12.403 ( -0.000 -0.468 -11.189) 11.198 12.812 ( 0.000 16.937 -25.986) 31.018 15.355 ( -0.000 -11.779 19.416) 22.709 15.886 ( -0.000 -1.570 1.633) 2.265 22.893 ( 0.000 1.718 2.501) 3.034 23.154 ( 0.000 3.359 -2.877) 4.423 24.333 ( 0.000 7.074 -0.299) 7.080 24.442 ( 0.000 3.092 -2.917) 4.251 26.831 ( 0.000 9.256 1.690) 9.410 27.163 ( 0.000 5.923 -1.530) 6.117 27.801 ( -0.000 -5.216 0.857) 5.285 28.041 ( -0.000 -10.165 -0.952) 10.209 ======================= Grid point 298 (103/180) ======================= q-point: ( 0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -0.984 0.000 0.820) 1.281 3.351 ( 7.645 -0.000 -2.281) 7.978 3.927 ( -14.150 0.000 -6.657) 15.638 3.971 ( 13.625 -0.000 -4.760) 14.432 4.215 ( -11.074 0.000 4.634) 12.004 4.595 ( -22.285 0.000 18.803) 29.158 4.846 ( -7.802 0.000 -6.686) 10.275 5.344 ( -22.781 0.000 14.334) 26.916 5.742 ( -17.276 0.000 -4.978) 17.978 6.476 ( -4.574 0.000 -0.341) 4.587 6.485 ( 3.307 -0.000 3.608) 4.894 6.866 ( 0.189 -0.000 -11.816) 11.817 7.406 ( -9.440 0.000 23.269) 25.111 7.852 ( -5.848 0.000 -6.231) 8.546 7.995 ( 0.333 -0.000 -2.056) 2.083 8.762 ( -4.394 0.000 11.724) 12.520 8.964 ( 5.668 -0.000 -1.318) 5.819 9.712 ( 6.229 -0.000 -12.231) 13.726 10.734 ( 4.284 -0.000 -1.150) 4.436 10.907 ( -8.119 0.000 -8.515) 11.765 11.073 ( -4.837 0.000 7.750) 9.136 11.776 ( 10.546 -0.000 -9.604) 14.264 11.915 ( -1.862 0.000 8.221) 8.429 12.401 ( -0.396 0.000 -1.674) 1.720 12.961 ( 1.333 -0.000 -7.659) 7.774 13.030 ( 9.422 -0.000 -9.301) 13.239 14.976 ( 3.561 -0.000 5.884) 6.878 15.241 ( 9.027 -0.000 0.769) 9.060 23.259 ( -1.704 0.000 0.529) 1.784 23.389 ( -12.754 0.000 -2.160) 12.936 24.468 ( 3.383 -0.000 2.757) 4.364 24.845 ( -10.415 0.000 -4.850) 11.489 26.958 ( 6.726 -0.000 2.483) 7.170 27.382 ( 8.946 -0.000 -6.262) 10.920 27.417 ( -3.390 0.000 5.647) 6.586 27.636 ( 1.764 -0.000 0.657) 1.882 ======================= Grid point 300 (104/180) ======================= q-point: (-0.55 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -8.202 5.315 2.971) 10.215 3.418 ( -3.330 4.717 -4.967) 7.617 3.481 ( -23.308 3.342 -2.959) 23.732 3.885 ( -16.942 -1.907 -6.795) 18.353 4.259 ( 4.801 4.663 5.849) 8.889 4.380 ( 0.810 -6.224 10.099) 11.890 4.813 ( -3.236 1.682 4.861) 6.077 5.023 ( -13.338 -3.547 10.336) 17.243 5.453 ( -16.464 0.459 -6.361) 17.656 6.367 ( -1.156 7.759 -0.214) 7.848 6.567 ( 1.167 -4.254 7.633) 8.816 6.803 ( -6.769 3.960 -0.195) 7.844 7.324 ( -3.350 -8.145 16.682) 18.864 7.741 ( -4.937 2.731 -12.918) 14.096 7.993 ( -2.224 -3.603 -6.117) 7.439 8.716 ( -3.910 -6.019 10.632) 12.828 9.143 ( 12.903 -1.041 -2.092) 13.113 9.849 ( 6.480 -4.107 -12.390) 14.573 10.705 ( -5.210 4.332 -0.437) 6.790 10.841 ( -3.723 -5.282 -3.733) 7.463 10.991 ( -4.512 -1.550 13.523) 14.340 11.902 ( 1.143 1.772 3.074) 3.728 11.952 ( 10.310 0.220 -13.067) 16.646 12.380 ( -1.828 0.626 -6.520) 6.800 12.863 ( 1.504 15.288 -1.505) 15.436 13.215 ( 5.540 -3.449 -11.553) 13.269 15.005 ( 4.103 3.570 9.777) 11.188 15.433 ( 6.065 -9.214 -0.257) 11.034 23.172 ( -11.310 0.806 0.426) 11.347 23.250 ( -0.695 -0.393 -1.182) 1.426 24.515 ( 2.696 0.951 0.185) 2.865 24.667 ( -9.650 1.168 -2.456) 10.026 27.043 ( 4.625 2.173 2.534) 5.704 27.356 ( -0.379 3.568 4.457) 5.722 27.534 ( 5.635 -3.470 -4.291) 7.887 27.680 ( 1.950 -2.289 -0.511) 3.050 ======================= Grid point 301 (105/180) ======================= q-point: (-0.45 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 485 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -27.122 7.879 1.605) 28.289 3.155 ( -3.690 10.001 8.044) 13.354 3.414 ( -2.728 -0.044 -11.856) 12.166 3.669 ( -7.231 3.363 -6.810) 10.487 4.265 ( 0.228 -0.372 3.492) 3.519 4.441 ( 4.756 11.127 3.569) 12.616 4.646 ( -10.632 -0.821 9.414) 14.225 5.069 ( 3.182 -13.550 12.079) 18.429 5.198 ( -11.002 3.433 -5.813) 12.908 6.298 ( 4.168 8.843 3.837) 10.502 6.563 ( -9.241 6.285 4.818) 12.170 6.609 ( -4.104 -2.804 18.565) 19.219 7.484 ( 2.754 -18.696 3.359) 19.194 7.632 ( -2.724 5.605 -16.936) 18.046 8.011 ( -1.505 -5.571 -9.699) 11.286 8.778 ( -1.524 -13.404 10.602) 17.158 9.350 ( 9.654 0.649 -9.471) 13.539 10.002 ( 4.811 -6.610 -12.236) 14.716 10.568 ( -8.414 -1.656 7.381) 11.315 10.820 ( -1.499 -1.662 1.939) 2.961 10.974 ( -1.922 -3.148 11.817) 12.379 11.902 ( 1.733 3.058 -1.417) 3.790 12.104 ( 8.185 1.116 -11.856) 14.450 12.328 ( -3.158 0.699 -11.754) 12.191 12.694 ( 0.532 18.032 2.786) 18.254 13.266 ( 2.166 5.784 -15.097) 16.312 15.056 ( 3.219 -1.608 14.367) 14.810 15.621 ( 3.014 -10.592 -0.607) 11.029 23.003 ( -7.224 0.870 2.279) 7.625 23.244 ( 0.091 1.254 -2.670) 2.951 24.516 ( -5.837 1.925 -0.682) 6.184 24.533 ( 1.397 2.131 -1.646) 3.034 27.061 ( 2.016 4.595 2.487) 5.600 27.316 ( 0.348 3.980 4.091) 5.718 27.646 ( 3.124 -3.381 -3.566) 5.823 27.749 ( 1.371 -5.212 -1.138) 5.508 ======================= Grid point 302 (106/180) ======================= q-point: (-0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 10.197 6.169) 11.918 2.984 ( 0.000 15.651 7.801) 17.488 3.419 ( -0.000 -5.243 -15.322) 16.194 3.541 ( 0.000 8.122 -6.949) 10.689 4.271 ( 0.000 2.178 -2.022) 2.972 4.289 ( 0.000 19.623 2.616) 19.797 4.568 ( -0.000 -2.546 8.178) 8.565 5.043 ( 0.000 6.218 -5.640) 8.395 5.310 ( -0.000 -21.370 16.959) 27.282 6.280 ( 0.000 11.626 8.940) 14.666 6.341 ( 0.000 4.938 9.990) 11.144 6.628 ( -0.000 -5.209 19.363) 20.052 7.534 ( 0.000 6.765 -17.655) 18.906 7.750 ( -0.000 -22.362 -3.610) 22.651 8.065 ( -0.000 -6.039 -10.166) 11.824 8.953 ( -0.000 -19.737 10.214) 22.224 9.408 ( 0.000 3.367 -14.977) 15.350 10.139 ( -0.000 -8.230 -11.089) 13.809 10.502 ( -0.000 -2.673 9.184) 9.565 10.854 ( -0.000 -4.484 6.658) 8.027 10.987 ( -0.000 -4.011 9.860) 10.644 11.880 ( 0.000 4.115 -3.164) 5.190 12.158 ( 0.000 3.798 -6.335) 7.386 12.282 ( 0.000 2.421 -14.565) 14.765 12.500 ( 0.000 16.119 1.542) 16.192 13.173 ( 0.000 13.152 -18.959) 23.074 15.136 ( -0.000 -6.986 17.686) 19.016 15.758 ( -0.000 -9.245 -0.227) 9.248 22.928 ( 0.000 1.314 2.844) 3.133 23.222 ( 0.000 2.560 -3.206) 4.103 24.441 ( 0.000 2.791 -0.071) 2.792 24.514 ( 0.000 3.269 -2.275) 3.983 27.014 ( 0.000 6.781 2.284) 7.155 27.274 ( 0.000 4.363 2.796) 5.182 27.709 ( -0.000 -3.352 -2.194) 4.006 27.837 ( -0.000 -7.953 -1.527) 8.098 ======================= Grid point 311 (107/180) ======================= q-point: ( 0.45 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -28.557 0.000 -0.448) 28.560 3.267 ( -2.524 0.000 8.968) 9.317 3.399 ( -7.191 0.000 -11.464) 13.533 3.728 ( -2.645 0.000 -6.438) 6.961 4.247 ( -0.064 0.000 15.067) 15.067 4.544 ( 9.906 -0.000 2.942) 10.334 4.634 ( -12.678 0.000 11.124) 16.867 4.949 ( 1.322 -0.000 3.961) 4.176 5.235 ( -9.688 0.000 -5.909) 11.348 6.420 ( 1.845 -0.000 6.681) 6.931 6.534 ( -1.616 0.000 7.057) 7.240 6.699 ( -8.570 0.000 -9.449) 12.756 7.228 ( -0.525 0.000 25.087) 25.093 7.720 ( -0.783 0.000 -17.290) 17.308 7.922 ( -2.541 0.000 -10.858) 11.151 8.626 ( -2.339 0.000 10.321) 10.583 9.356 ( 11.588 -0.000 -7.753) 13.943 9.920 ( 4.234 -0.000 -13.671) 14.312 10.553 ( -10.130 0.000 7.400) 12.545 10.802 ( -2.000 0.000 1.770) 2.671 10.942 ( 0.050 -0.000 12.306) 12.306 11.937 ( 1.481 -0.000 -1.505) 2.111 12.113 ( 8.689 -0.000 -13.195) 15.799 12.335 ( -3.912 0.000 -11.247) 11.908 12.946 ( -1.144 0.000 1.131) 1.609 13.289 ( 4.726 -0.000 -8.833) 10.018 15.073 ( 1.768 -0.000 9.000) 9.172 15.462 ( 3.589 -0.000 0.438) 3.616 23.013 ( -7.187 0.000 2.337) 7.558 23.258 ( 0.834 -0.000 -2.725) 2.850 24.537 ( -6.113 0.000 -0.684) 6.151 24.557 ( 1.569 -0.000 -1.674) 2.295 27.112 ( 2.045 -0.000 2.832) 3.493 27.373 ( 0.196 -0.000 7.127) 7.129 27.592 ( 3.276 -0.000 -6.542) 7.316 27.695 ( 1.295 -0.000 -1.067) 1.678 ======================= Grid point 313 (108/180) ======================= q-point: (-0.45 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 0.000 3.895 1.998) 4.378 3.220 ( 0.000 5.520 9.764) 11.217 3.332 ( -0.000 -2.244 -13.533) 13.717 3.693 ( 0.000 4.411 -6.751) 8.065 4.257 ( -0.000 -0.442 11.739) 11.747 4.523 ( -0.000 -1.191 11.378) 11.440 4.611 ( 0.000 5.053 3.255) 6.011 4.987 ( -0.000 -5.594 6.380) 8.485 5.138 ( 0.000 2.223 -5.450) 5.886 6.432 ( 0.000 3.113 15.698) 16.003 6.535 ( -0.000 -3.106 11.913) 12.312 6.544 ( 0.000 9.818 -12.844) 16.167 7.316 ( -0.000 -14.175 16.731) 21.929 7.680 ( 0.000 5.527 -18.125) 18.949 7.932 ( -0.000 -5.136 -12.925) 13.908 8.647 ( -0.000 -7.264 10.464) 12.739 9.458 ( 0.000 1.299 -12.910) 12.975 9.983 ( -0.000 -4.544 -13.965) 14.686 10.461 ( -0.000 -0.985 12.132) 12.172 10.787 ( -0.000 -1.548 6.977) 7.147 10.949 ( -0.000 -0.309 9.172) 9.177 11.942 ( 0.000 1.463 -3.348) 3.653 12.214 ( 0.000 1.304 -6.606) 6.733 12.272 ( -0.000 -0.750 -19.172) 19.186 12.864 ( 0.000 11.919 3.299) 12.367 13.328 ( 0.000 1.158 -10.668) 10.730 15.079 ( 0.000 1.064 11.121) 11.172 15.540 ( -0.000 -7.962 0.042) 7.962 22.948 ( 0.000 0.489 3.048) 3.087 23.261 ( 0.000 0.954 -3.402) 3.533 24.479 ( 0.000 0.862 0.056) 0.864 24.564 ( 0.000 1.103 -2.346) 2.593 27.116 ( 0.000 2.298 2.892) 3.694 27.359 ( 0.000 2.855 6.273) 6.892 27.638 ( -0.000 -2.909 -5.727) 6.423 27.719 ( -0.000 -2.270 -1.171) 2.554 ======================= Grid point 375 (109/180) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.000 0.000 35.060) 35.060 2.047 ( 0.000 0.000 34.629) 34.629 2.320 ( 0.000 0.000 27.373) 27.373 3.128 ( 0.000 0.000 -10.828) 10.828 3.324 ( 0.000 0.000 -33.981) 33.981 3.436 ( 0.000 0.000 -32.437) 32.437 4.339 ( 0.000 0.000 2.370) 2.370 4.499 ( 0.000 0.000 -6.093) 6.093 6.308 ( 0.000 0.000 16.614) 16.614 6.633 ( 0.000 0.000 26.762) 26.762 6.948 ( 0.000 0.000 -16.181) 16.181 7.651 ( 0.000 0.000 23.734) 23.734 7.689 ( 0.000 0.000 -26.428) 26.428 7.936 ( 0.000 0.000 21.540) 21.540 8.253 ( 0.000 0.000 -5.695) 5.695 8.636 ( 0.000 0.000 -13.460) 13.460 10.397 ( 0.000 0.000 10.529) 10.529 10.892 ( 0.000 0.000 1.586) 1.586 10.927 ( 0.000 0.000 -11.877) 11.877 11.144 ( 0.000 0.000 -9.291) 9.291 11.345 ( 0.000 0.000 1.023) 1.023 11.522 ( 0.000 0.000 3.672) 3.672 11.612 ( 0.000 0.000 -7.946) 7.946 11.625 ( 0.000 0.000 -1.843) 1.843 12.493 ( 0.000 0.000 1.521) 1.521 12.524 ( 0.000 0.000 -0.106) 0.106 15.509 ( 0.000 0.000 11.932) 11.932 15.883 ( 0.000 0.000 -7.193) 7.193 22.857 ( 0.000 0.000 2.359) 2.359 22.957 ( 0.000 0.000 -2.643) 2.643 23.945 ( 0.000 0.000 0.774) 0.774 23.987 ( 0.000 0.000 -1.270) 1.270 26.479 ( 0.000 0.000 2.147) 2.147 26.586 ( 0.000 0.000 -3.286) 3.286 28.283 ( 0.000 0.000 6.332) 6.332 28.505 ( 0.000 0.000 -4.820) 4.820 ======================= Grid point 376 (110/180) ======================= q-point: ( 0.09 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -1.392 -0.341 28.794) 28.830 2.144 ( 5.767 -9.379 31.433) 33.306 2.709 ( 29.146 -6.065 23.672) 38.034 2.924 ( -10.840 -1.353 -16.363) 19.674 3.452 ( 2.239 -1.464 -30.483) 30.600 3.668 ( 25.262 -1.748 -22.965) 34.185 4.525 ( 18.836 -2.983 0.186) 19.072 4.632 ( 14.692 -1.514 -5.102) 15.626 6.369 ( 6.401 -0.064 18.009) 19.113 6.605 ( 0.473 3.379 27.121) 27.334 7.103 ( 14.579 1.351 -20.150) 24.908 7.468 ( -5.758 19.679 0.680) 20.516 7.648 ( 0.267 4.577 18.084) 18.656 7.976 ( -8.471 -17.064 3.073) 19.297 8.320 ( 5.339 0.902 -10.063) 11.427 8.622 ( -5.781 -5.852 -16.284) 18.244 10.307 ( -4.859 7.245 7.045) 11.213 10.615 ( -17.838 10.472 -7.590) 22.033 10.908 ( -2.958 -5.351 1.758) 6.362 11.241 ( 3.304 7.219 -11.277) 13.792 11.406 ( 6.087 -4.839 4.359) 8.914 11.458 ( -7.044 -0.051 4.293) 8.250 11.622 ( -1.017 -2.441 -3.167) 4.126 11.691 ( 3.573 -8.634 -6.987) 11.667 12.417 ( 5.318 15.697 5.373) 17.422 12.577 ( 3.536 2.217 -3.943) 5.742 15.489 ( -7.338 -7.853 9.342) 14.240 15.734 ( -16.827 -1.685 -1.885) 17.016 22.948 ( 9.990 -0.283 3.461) 10.576 23.140 ( 18.707 1.213 -7.332) 20.129 23.979 ( 2.594 -1.981 0.945) 3.398 24.044 ( 3.429 -5.994 -2.620) 7.385 26.491 ( 0.334 -1.958 2.314) 3.050 26.608 ( -0.483 -4.532 -3.710) 5.876 28.232 ( -3.745 3.341 5.989) 7.813 28.417 ( -7.603 3.115 -2.686) 8.644 ======================= Grid point 377 (111/180) ======================= q-point: ( 0.18 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 11.082 -7.103 18.924) 23.052 2.399 ( 7.398 -15.004 23.524) 28.865 2.785 ( -2.879 -1.189 -15.030) 15.349 3.332 ( 26.451 -4.591 4.637) 27.244 3.563 ( 11.135 -6.500 -12.813) 18.177 4.114 ( 26.013 0.321 -16.860) 31.000 4.970 ( 27.557 -4.494 -1.355) 27.954 5.009 ( 26.352 -3.802 -3.277) 26.826 6.445 ( 3.711 6.014 23.112) 24.168 6.630 ( 6.035 0.102 22.356) 23.157 7.043 ( -12.435 16.399 13.028) 24.358 7.351 ( 12.249 8.935 -20.716) 25.672 7.586 ( -3.630 1.337 19.718) 20.094 8.009 ( -5.081 -7.322 -5.772) 10.618 8.341 ( -2.185 0.358 -14.934) 15.097 8.548 ( -8.726 -2.064 -24.282) 25.885 10.110 ( -7.078 10.323 3.789) 13.077 10.246 ( -12.092 6.021 -5.601) 14.623 10.900 ( -4.534 -4.875 3.941) 7.737 11.183 ( -1.006 5.449 -6.574) 8.598 11.319 ( -8.466 -0.360 3.774) 9.277 11.454 ( -6.538 -4.542 -1.264) 8.061 11.707 ( 6.261 -3.974 1.451) 7.556 11.915 ( 9.116 -10.751 -7.835) 16.126 12.340 ( 7.874 17.932 7.531) 20.983 12.570 ( 3.861 10.119 -5.494) 12.144 15.434 ( -18.385 -7.806 5.932) 20.836 15.457 ( -12.198 -8.446 3.342) 15.209 23.154 ( 13.691 0.911 4.784) 14.531 23.407 ( 14.827 4.752 -8.530) 17.753 24.072 ( 4.667 -3.791 2.102) 6.370 24.242 ( 10.442 -7.505 -7.847) 15.064 26.538 ( 1.270 -4.269 2.069) 4.911 26.661 ( -0.946 -6.846 -4.257) 8.117 28.094 ( -6.428 5.601 5.699) 10.255 28.226 ( -9.638 3.663 0.040) 10.310 ======================= Grid point 378 (112/180) ======================= q-point: ( 0.27 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 16.760 -11.272 9.900) 22.493 2.683 ( 6.138 -14.000 11.500) 19.129 2.836 ( 5.111 -4.977 -4.254) 8.306 3.528 ( 2.767 -2.229 -22.198) 22.480 4.092 ( 31.275 -7.518 10.044) 33.697 4.506 ( 21.068 0.354 -10.884) 23.717 5.502 ( 29.085 -4.721 0.575) 29.471 5.543 ( 29.547 -5.043 -2.029) 30.043 6.369 ( -2.315 10.155 23.706) 25.894 6.612 ( -6.651 17.868 21.037) 28.391 6.757 ( -0.414 -1.088 14.400) 14.447 7.385 ( 5.012 13.118 -8.945) 16.650 7.509 ( -7.994 -5.674 7.806) 12.531 7.911 ( -8.278 3.357 -3.913) 9.752 8.201 ( -9.678 6.543 -18.988) 22.294 8.483 ( -2.384 -6.454 -23.440) 24.429 9.878 ( -5.795 9.857 4.197) 12.181 10.082 ( -7.499 -2.222 -6.824) 10.379 10.885 ( -0.925 -1.480 4.393) 4.727 11.061 ( -8.053 2.057 2.092) 8.571 11.237 ( -1.387 0.830 -4.817) 5.081 11.362 ( -8.863 -4.202 -5.345) 11.171 11.852 ( 4.966 -3.268 5.816) 8.316 12.164 ( 6.555 -5.847 -5.921) 10.593 12.312 ( 10.392 10.916 3.748) 15.531 12.495 ( 2.321 11.953 -4.138) 12.861 15.178 ( -16.928 -5.156 11.040) 20.857 15.420 ( -8.940 -11.417 -3.074) 14.823 23.348 ( 11.248 2.412 4.107) 12.215 23.531 ( 6.836 3.902 -5.175) 9.420 24.210 ( 5.937 -4.471 4.323) 8.598 24.499 ( 11.627 -3.319 -11.041) 16.374 26.622 ( 2.344 -5.011 0.920) 5.608 26.722 ( -1.200 -7.159 -4.296) 8.434 27.918 ( -6.564 5.272 5.863) 10.259 28.037 ( -8.122 3.350 0.542) 8.802 ======================= Grid point 379 (113/180) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 14.648 -9.922 4.219) 18.188 2.902 ( 6.101 -8.869 1.697) 10.898 3.033 ( 7.359 -8.150 6.005) 12.515 3.572 ( 0.615 -1.053 -17.418) 17.460 4.622 ( 21.452 -5.333 3.503) 22.381 4.818 ( 15.600 -2.920 -5.801) 16.898 5.924 ( 10.032 -0.147 9.884) 14.084 6.027 ( 13.699 4.468 11.486) 18.428 6.125 ( 3.025 2.980 10.365) 11.201 6.515 ( 15.099 9.691 16.881) 24.635 6.690 ( -7.508 3.720 -3.381) 9.035 7.228 ( -1.937 16.478 -1.810) 16.689 7.406 ( -12.011 -6.398 -1.952) 13.748 7.793 ( -5.131 0.895 0.141) 5.210 7.982 ( -5.749 2.897 -8.304) 10.507 8.536 ( -1.120 -5.711 -18.408) 19.306 9.700 ( -5.116 6.290 6.125) 10.161 10.007 ( -5.321 -3.333 -8.541) 10.600 10.880 ( -1.023 5.044 2.544) 5.741 10.940 ( -2.769 -2.963 5.441) 6.786 11.187 ( -4.954 0.138 -8.280) 9.650 11.306 ( -2.071 -3.245 -7.940) 8.824 11.913 ( 1.634 2.107 7.706) 8.154 12.247 ( 4.312 1.499 3.761) 5.915 12.380 ( 2.586 9.567 -7.546) 12.456 12.477 ( 6.368 -2.851 -2.999) 7.594 14.994 ( -10.994 -3.796 14.092) 18.271 15.405 ( -5.767 -7.864 -7.810) 12.493 23.471 ( 6.777 2.504 2.416) 7.618 23.574 ( 2.690 1.912 -2.967) 4.438 24.349 ( 4.990 -3.319 6.176) 8.606 24.680 ( 7.573 -0.405 -10.374) 12.851 26.713 ( 2.507 -3.342 -0.434) 4.200 26.775 ( -1.123 -5.854 -4.125) 7.249 27.778 ( -4.280 3.383 5.581) 7.804 27.888 ( -5.594 2.497 0.596) 6.155 ======================= Grid point 380 (114/180) ======================= q-point: ( 0.45 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 3.535 -3.128 3.678) 5.984 3.102 ( 5.847 -4.502 0.031) 7.379 3.198 ( 3.215 -3.906 5.139) 7.211 3.579 ( -0.096 0.093 -12.818) 12.819 4.906 ( 9.457 -1.789 4.106) 10.464 5.042 ( 2.684 -3.353 -2.426) 4.933 5.795 ( -1.186 6.160 18.278) 19.324 6.060 ( 1.940 1.151 20.272) 20.398 6.393 ( -0.968 1.774 -10.027) 10.228 6.467 ( 1.288 -0.154 -5.530) 5.680 6.781 ( 13.221 3.685 6.997) 15.406 7.097 ( 5.796 7.956 5.603) 11.326 7.306 ( -5.873 -3.525 -9.028) 11.332 7.580 ( -14.924 -1.360 -10.579) 18.344 8.004 ( 3.907 0.047 10.626) 11.322 8.555 ( -1.369 -2.017 -13.227) 13.450 9.581 ( -2.551 2.379 7.499) 8.271 9.976 ( -1.766 -1.557 -10.172) 10.441 10.798 ( -2.223 1.143 3.614) 4.394 10.976 ( 3.058 1.011 5.155) 6.078 11.106 ( -4.336 -1.176 -10.917) 11.806 11.324 ( 0.264 -1.196 -9.169) 9.251 11.896 ( 0.220 2.036 8.546) 8.788 12.286 ( 0.613 0.252 -5.715) 5.754 12.331 ( 1.515 3.395 6.165) 7.200 12.586 ( 2.438 -1.718 -7.632) 8.194 14.898 ( -3.823 -1.369 15.729) 16.245 15.400 ( -1.956 -2.759 -10.284) 10.826 23.525 ( 2.304 1.105 1.298) 2.866 23.588 ( 0.611 0.450 -1.980) 2.120 24.434 ( 1.908 -1.186 6.948) 7.302 24.764 ( 2.530 0.157 -9.247) 9.589 26.767 ( 1.026 -0.914 -1.089) 1.753 26.810 ( -0.404 -2.473 -4.256) 4.939 27.705 ( -1.404 1.158 5.165) 5.476 27.803 ( -2.048 0.911 0.877) 2.407 ======================= Grid point 387 (115/180) ======================= q-point: ( 0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 9.805 -0.000 20.624) 22.836 2.199 ( 9.211 -0.000 29.119) 30.541 2.773 ( -4.580 0.000 -15.447) 16.112 3.277 ( 34.389 -0.000 12.045) 36.437 3.493 ( 7.532 -0.000 -20.242) 21.597 4.116 ( 26.507 -0.000 -19.186) 32.722 4.918 ( 28.600 -0.000 -1.353) 28.632 4.963 ( 25.285 -0.000 -3.460) 25.520 6.509 ( 8.993 -0.000 20.061) 21.984 6.640 ( 1.872 -0.000 28.658) 28.719 7.250 ( -6.075 0.000 -6.738) 9.073 7.480 ( -8.333 0.000 13.982) 16.277 7.679 ( 1.626 -0.000 8.791) 8.940 7.776 ( 2.834 -0.000 -14.112) 14.393 8.426 ( 3.850 -0.000 -21.848) 22.184 8.451 ( -9.228 0.000 -18.135) 20.348 10.220 ( -10.004 0.000 0.182) 10.005 10.378 ( -17.598 0.000 -8.647) 19.608 10.807 ( -2.334 0.000 11.569) 11.802 11.248 ( -3.132 0.000 -5.677) 6.484 11.311 ( -10.119 0.000 4.838) 11.217 11.408 ( -5.419 0.000 -2.719) 6.063 11.702 ( 6.123 -0.000 -2.163) 6.494 11.741 ( 12.751 -0.000 -5.577) 13.917 12.614 ( 4.165 -0.000 2.324) 4.770 12.662 ( 7.047 -0.000 0.086) 7.048 15.278 ( -11.433 0.000 6.916) 13.362 15.386 ( -20.948 0.000 3.363) 21.216 23.167 ( 15.001 -0.000 5.480) 15.970 23.470 ( 14.512 -0.000 -10.552) 17.943 24.061 ( 4.529 -0.000 -0.891) 4.616 24.112 ( 14.382 -0.000 -5.767) 15.495 26.493 ( 1.395 -0.000 1.536) 2.075 26.576 ( -0.228 0.000 -2.660) 2.669 28.163 ( -6.541 0.000 4.819) 8.125 28.264 ( -11.630 0.000 1.293) 11.702 ======================= Grid point 388 (116/180) ======================= q-point: ( 0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 17.297 -2.962 12.962) 21.817 2.428 ( 11.789 -7.247 20.881) 25.051 2.770 ( 3.423 -1.399 -8.967) 9.699 3.503 ( 4.365 -0.340 -27.715) 28.059 3.976 ( 34.665 -2.722 14.693) 37.748 4.507 ( 19.655 -0.108 -12.940) 23.532 5.423 ( 29.392 -1.741 -0.259) 29.445 5.448 ( 29.528 -2.877 -1.666) 29.715 6.580 ( 1.982 7.597 23.473) 24.752 6.702 ( 3.110 -2.818 21.814) 22.214 6.939 ( -15.345 9.746 17.302) 25.096 7.351 ( -12.975 -7.139 14.090) 20.441 7.664 ( 6.179 11.910 -10.875) 17.271 7.898 ( -0.864 -6.371 -11.173) 12.890 8.290 ( -5.796 3.275 -20.005) 21.084 8.421 ( -6.493 -1.048 -27.097) 27.884 10.022 ( -11.584 1.112 -2.687) 11.944 10.075 ( -14.902 3.044 -6.426) 16.511 10.832 ( 3.270 -1.607 11.164) 11.744 11.120 ( -9.654 2.301 4.198) 10.776 11.228 ( -2.032 -3.031 -2.922) 4.675 11.290 ( -7.818 -0.449 -5.819) 9.756 11.821 ( 8.882 0.829 1.618) 9.066 11.992 ( 10.996 -6.379 -6.497) 14.276 12.611 ( 4.062 10.534 4.934) 12.321 12.725 ( 3.073 6.005 -1.734) 6.965 15.073 ( -15.686 -2.123 7.207) 17.393 15.161 ( -10.264 -9.708 1.359) 14.193 23.398 ( 12.596 1.604 5.010) 13.651 23.589 ( 2.786 1.089 -4.212) 5.166 24.158 ( 7.157 -0.457 1.735) 7.378 24.432 ( 18.077 -2.164 -14.631) 23.356 26.544 ( 3.584 -1.818 0.533) 4.054 26.598 ( 0.471 -3.341 -2.202) 4.029 28.018 ( -8.270 3.349 4.642) 10.058 28.073 ( -10.317 -0.053 2.874) 10.710 ======================= Grid point 389 (117/180) ======================= q-point: ( 0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 18.956 -6.450 6.378) 21.015 2.707 ( 11.106 -7.420 10.158) 16.780 2.912 ( 9.747 -3.333 0.506) 10.313 3.570 ( 3.699 0.490 -22.700) 23.005 4.520 ( 25.257 -3.295 6.249) 26.226 4.770 ( 11.008 -1.586 -6.089) 12.680 5.873 ( 18.433 -2.724 5.329) 19.380 5.958 ( 25.693 -4.377 -0.570) 26.069 6.345 ( -15.356 10.674 23.521) 30.049 6.662 ( -5.508 1.891 12.248) 13.562 6.819 ( 8.626 7.836 14.386) 18.514 7.201 ( -14.200 -8.341 11.632) 20.162 7.616 ( 2.313 13.022 -12.130) 17.946 7.819 ( -9.526 1.114 -5.675) 11.144 8.097 ( -8.237 7.107 -16.689) 19.921 8.413 ( 1.967 -5.434 -19.614) 20.448 9.791 ( -13.302 2.035 -2.430) 13.674 9.882 ( -10.444 -5.847 -6.038) 13.406 10.909 ( 0.529 0.666 11.099) 11.132 10.957 ( -2.821 1.928 2.394) 4.172 11.153 ( -9.302 -3.379 -6.347) 11.757 11.273 ( 3.601 -0.070 -6.270) 7.231 11.958 ( 8.571 2.032 4.505) 9.894 12.215 ( 7.008 -4.695 -5.476) 10.057 12.546 ( 2.580 9.103 4.388) 10.429 12.647 ( -0.164 10.879 -3.851) 11.541 14.894 ( -9.438 -3.604 10.410) 14.507 15.163 ( -5.090 -12.665 -4.417) 14.346 23.527 ( 5.167 2.537 2.331) 6.211 23.600 ( 0.517 0.115 -1.384) 1.482 24.296 ( 7.437 -1.390 5.465) 9.333 24.689 ( 11.406 0.904 -14.793) 18.701 26.647 ( 5.272 -2.346 -1.028) 5.861 26.658 ( 1.796 -4.264 -1.928) 5.013 27.849 ( -7.005 2.952 5.205) 9.213 27.919 ( -7.963 0.319 1.942) 8.203 ======================= Grid point 390 (118/180) ======================= q-point: ( 0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 9.830 -4.335 3.856) 11.414 2.980 ( 12.949 -5.916 2.142) 14.397 3.128 ( 10.997 -2.339 5.357) 12.454 3.611 ( 3.024 2.353 -16.476) 16.916 4.857 ( 11.277 -2.226 2.121) 11.689 4.928 ( 3.211 -5.510 -1.036) 6.461 5.967 ( -8.330 8.165 18.339) 21.734 6.071 ( -2.168 0.127 18.022) 18.152 6.352 ( 14.256 -3.993 -2.751) 15.058 6.502 ( -10.618 2.227 -3.711) 11.466 6.865 ( -2.016 2.641 7.754) 8.436 7.092 ( -6.553 -4.098 4.920) 9.162 7.484 ( 4.282 13.854 -9.024) 17.079 7.599 ( -8.914 3.098 -8.275) 12.551 8.021 ( 2.287 1.602 4.430) 5.237 8.518 ( 5.130 -1.372 -14.090) 15.057 9.573 ( -12.324 -2.377 1.895) 12.693 9.828 ( -6.612 -9.885 -8.954) 14.887 10.808 ( -5.378 -0.022 4.471) 6.994 10.967 ( -3.445 -1.172 3.147) 4.810 11.093 ( 1.529 -0.024 -5.632) 5.836 11.343 ( 5.314 1.609 -6.647) 8.661 12.029 ( 5.847 8.204 5.834) 11.642 12.291 ( 0.536 0.391 2.614) 2.697 12.489 ( -2.804 7.423 0.184) 7.937 12.573 ( 4.899 2.811 -9.691) 11.217 14.835 ( -2.385 -3.363 13.335) 13.958 15.248 ( -0.564 -10.355 -8.301) 13.283 23.530 ( -2.060 -0.369 1.822) 2.775 23.610 ( 0.820 1.244 -2.119) 2.590 24.413 ( 4.770 -0.631 7.323) 8.762 24.799 ( 4.467 2.545 -11.836) 12.904 26.724 ( 2.087 -2.598 -0.630) 3.392 26.774 ( 6.255 -0.984 -3.568) 7.268 27.731 ( -4.282 1.209 4.846) 6.578 27.808 ( -5.059 -0.418 1.496) 5.292 ======================= Grid point 391 (119/180) ======================= q-point: ( 0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 3.341 0.788 3.794) 5.117 3.157 ( 2.792 0.309 -1.649) 3.258 3.287 ( 7.422 3.656 5.131) 9.735 3.619 ( 2.194 3.597 -11.531) 12.277 4.918 ( -7.426 -1.210 4.029) 8.535 5.023 ( 2.217 -4.680 -0.065) 5.179 5.745 ( -11.592 1.419 14.949) 18.970 6.015 ( -5.757 -1.999 19.870) 20.783 6.362 ( 0.968 0.622 -12.700) 12.752 6.460 ( -8.463 -1.308 -3.887) 9.404 6.716 ( -11.259 -2.881 4.456) 12.447 6.923 ( -18.000 -5.997 -1.544) 19.035 7.484 ( 11.465 10.252 -2.946) 15.659 7.647 ( 14.574 4.425 -6.948) 16.741 8.014 ( -2.773 0.836 14.053) 14.349 8.609 ( 6.514 2.812 -12.759) 14.599 9.462 ( -6.914 -7.761 7.645) 12.902 9.867 ( -2.678 -10.406 -10.655) 15.132 10.753 ( -3.420 -2.676 1.609) 4.631 10.923 ( -2.502 -3.277 -2.551) 4.848 11.143 ( 4.474 2.178 -1.297) 5.142 11.401 ( 5.150 4.153 -7.697) 10.150 11.979 ( 1.572 9.801 6.900) 12.088 12.288 ( -0.990 -0.606 5.497) 5.618 12.360 ( -3.091 5.628 -2.336) 6.833 12.625 ( 2.410 1.918 -11.124) 11.543 14.884 ( 4.362 -2.252 15.033) 15.814 15.362 ( 3.155 -5.978 -9.762) 11.874 23.487 ( -4.567 -1.972 2.094) 5.397 23.589 ( -2.223 0.352 -3.096) 3.828 24.461 ( 1.163 1.116 7.286) 7.462 24.796 ( -0.985 2.743 -9.237) 9.686 26.774 ( 2.026 -0.033 0.094) 2.029 26.866 ( 5.495 2.343 -4.965) 7.768 27.680 ( -1.604 -1.026 4.827) 5.189 27.769 ( -1.139 -2.062 0.963) 2.545 ======================= Grid point 392 (120/180) ======================= q-point: (-0.45 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -4.962 8.198 2.425) 9.885 3.073 ( -5.307 6.958 -1.923) 8.960 3.264 ( 0.308 11.582 6.442) 13.256 3.623 ( 2.796 3.469 -11.794) 12.608 4.718 ( -15.395 2.703 2.179) 15.781 4.897 ( -20.269 3.413 -6.639) 21.600 5.715 ( 3.395 -14.410 23.512) 27.785 5.917 ( -12.269 -4.042 16.538) 20.985 6.147 ( -23.631 0.043 -2.065) 23.722 6.391 ( -20.275 -1.294 0.704) 20.329 6.583 ( 11.891 -5.804 -7.657) 15.287 6.906 ( 0.841 -10.050 -4.548) 11.063 7.572 ( 9.985 7.670 1.751) 12.712 7.790 ( 1.363 0.710 3.362) 3.697 7.965 ( 2.708 1.078 2.658) 3.945 8.659 ( 4.415 5.160 -17.161) 18.456 9.512 ( -0.203 -10.620 11.765) 15.850 9.955 ( 0.620 -8.275 -10.390) 13.297 10.750 ( -2.168 -6.023 2.287) 6.798 10.976 ( 4.869 -1.409 -4.369) 6.692 11.186 ( 3.025 1.147 -1.254) 3.470 11.421 ( 4.661 6.487 -8.776) 11.867 11.910 ( -0.202 3.624 7.987) 8.773 12.241 ( -5.431 1.343 10.221) 11.652 12.284 ( -0.692 0.829 -7.686) 7.762 12.588 ( -1.816 5.980 -10.971) 12.626 15.025 ( 10.170 -1.049 15.034) 18.181 15.480 ( 6.247 -1.181 -8.854) 10.900 23.417 ( -6.750 -2.253 2.334) 7.489 23.532 ( -5.508 -1.674 -3.493) 6.733 24.429 ( -1.704 3.525 6.209) 7.340 24.714 ( -5.165 2.587 -7.816) 9.719 26.786 ( 1.338 3.150 0.782) 3.510 26.903 ( 4.220 5.537 -5.495) 8.869 27.703 ( 1.377 -3.356 5.209) 6.347 27.815 ( 2.490 -3.925 0.100) 4.649 ======================= Grid point 393 (121/180) ======================= q-point: (-0.36 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( -12.529 15.448 4.712) 20.441 2.921 ( -2.981 7.541 -7.047) 10.743 3.073 ( -4.439 15.657 11.443) 19.895 3.609 ( 0.193 4.943 -15.037) 15.829 4.286 ( -26.920 9.509 2.897) 28.696 4.491 ( -23.568 -0.894 -7.110) 24.633 5.580 ( -28.007 0.861 3.831) 28.281 5.645 ( -27.614 3.864 -1.539) 27.926 6.111 ( 11.045 -20.333 20.468) 30.893 6.231 ( -3.899 -6.839 18.420) 20.032 6.775 ( 2.539 -0.450 3.777) 4.573 7.085 ( 2.830 -13.159 -6.115) 14.783 7.594 ( -2.155 2.508 1.619) 3.682 7.837 ( 10.528 -3.130 7.332) 13.206 8.053 ( 2.878 -4.489 -12.106) 13.228 8.650 ( 3.377 7.040 -22.052) 23.393 9.652 ( 2.447 -10.439 11.758) 15.913 10.064 ( 3.092 -5.427 -9.704) 11.541 10.824 ( 2.794 -6.049 4.296) 7.928 11.066 ( 3.419 0.208 -5.296) 6.307 11.224 ( 3.168 0.139 0.728) 3.254 11.452 ( 7.595 4.675 -8.840) 12.557 11.892 ( -0.828 -0.890 7.273) 7.374 12.106 ( -8.300 1.675 10.224) 13.275 12.286 ( -1.329 -3.793 -9.657) 10.460 12.434 ( -5.800 9.786 -9.479) 14.807 15.239 ( 14.412 -0.169 13.412) 19.688 15.593 ( 8.527 3.378 -5.806) 10.855 23.304 ( -9.453 -1.505 2.926) 10.009 23.442 ( -8.853 -3.618 -4.114) 10.411 24.334 ( -2.998 6.057 4.583) 8.166 24.572 ( -7.765 3.327 -7.290) 11.158 26.749 ( 0.426 6.076 1.661) 6.314 26.890 ( 3.177 7.706 -5.659) 10.075 27.797 ( 3.964 -5.489 5.576) 8.771 27.933 ( 5.153 -5.684 -0.665) 7.700 ======================= Grid point 394 (122/180) ======================= q-point: (-0.27 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -10.567 16.427 11.344) 22.587 2.771 ( -8.149 17.379 16.522) 25.326 2.840 ( 0.201 4.184 -12.776) 13.446 3.463 ( -13.134 6.952 -5.512) 15.850 3.774 ( -15.164 11.945 -4.393) 19.797 4.102 ( -23.714 -0.597 -11.016) 26.154 5.083 ( -25.761 4.451 -0.357) 26.145 5.118 ( -27.126 5.988 -2.811) 27.921 6.288 ( 0.907 -6.717 21.451) 22.496 6.527 ( 6.239 -18.491 14.997) 24.612 6.719 ( -4.509 -2.392 18.205) 18.907 7.195 ( -4.150 -6.408 -10.720) 13.160 7.521 ( -5.537 -3.666 8.500) 10.787 8.060 ( 6.622 -0.263 -1.968) 6.913 8.239 ( 10.437 -12.170 -14.651) 21.719 8.645 ( 6.452 7.411 -20.833) 23.034 9.837 ( 5.587 -12.227 9.209) 16.295 10.169 ( 3.845 -3.458 -8.720) 10.138 10.940 ( 3.849 -1.782 2.098) 4.732 11.067 ( -3.765 -4.021 -4.537) 7.137 11.328 ( 9.053 -0.029 3.830) 9.830 11.556 ( 8.943 3.932 -5.790) 11.356 11.849 ( -2.765 7.050 4.977) 9.062 11.980 ( -9.138 -9.890 10.023) 16.786 12.188 ( -6.785 13.151 -10.848) 18.348 12.329 ( -2.927 -9.077 -9.134) 13.205 15.498 ( 16.022 -0.102 9.898) 18.833 15.684 ( 9.328 7.335 -1.127) 11.920 23.139 ( -11.146 -0.262 3.476) 11.679 23.307 ( -12.453 -3.662 -5.123) 13.955 24.208 ( -2.694 7.556 2.881) 8.524 24.390 ( -7.581 5.661 -6.611) 11.542 26.674 ( -0.089 7.543 2.645) 7.994 26.842 ( 2.165 8.917 -5.900) 10.909 27.946 ( 4.926 -7.253 5.896) 10.566 28.104 ( 6.493 -7.066 -1.349) 9.691 ======================= Grid point 395 (123/180) ======================= q-point: (-0.18 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.687 11.910 21.839) 24.885 2.398 ( -15.319 12.045 25.645) 32.209 2.860 ( 2.900 4.558 -11.595) 12.792 3.083 ( -7.801 14.936 9.302) 19.248 3.501 ( -12.843 2.748 -24.504) 27.802 3.759 ( -11.939 6.635 -16.212) 21.199 4.645 ( -17.881 7.323 -1.401) 19.373 4.692 ( -15.605 3.625 -3.433) 16.385 6.353 ( -1.031 -2.424 19.443) 19.620 6.515 ( -5.549 -2.567 21.622) 22.470 6.975 ( 5.439 -22.837 7.366) 24.605 7.082 ( -11.024 -0.353 -17.797) 20.937 7.525 ( -1.931 -7.225 20.649) 21.961 8.150 ( 4.326 -1.355 -6.738) 8.121 8.409 ( 2.828 5.616 -7.046) 9.444 8.728 ( 7.980 2.469 -17.371) 19.276 10.094 ( 6.253 -11.143 5.612) 13.956 10.330 ( 9.037 -12.169 -7.288) 16.819 10.925 ( -7.703 -3.757 0.178) 8.573 11.106 ( 1.768 -3.590 -5.763) 7.015 11.482 ( 8.723 1.830 4.609) 10.034 11.587 ( 0.459 9.621 4.391) 10.585 11.721 ( 0.796 6.134 -2.337) 6.612 11.926 ( -5.592 9.301 -6.517) 12.659 12.021 ( -5.566 -14.007 7.213) 16.710 12.397 ( -2.361 -10.933 -11.220) 15.843 15.704 ( 6.753 6.616 4.862) 10.631 15.776 ( 12.784 2.708 3.058) 13.421 22.962 ( -8.585 0.985 3.110) 9.184 23.113 ( -12.653 -0.663 -4.717) 13.520 24.089 ( -1.506 7.276 1.710) 7.624 24.213 ( -4.137 7.880 -5.006) 10.212 26.590 ( -0.144 6.881 3.250) 7.612 26.769 ( 1.030 9.050 -5.860) 10.830 28.103 ( 3.381 -7.674 6.211) 10.435 28.291 ( 5.401 -7.838 -2.679) 9.889 ======================= Grid point 396 (124/180) ======================= q-point: (-0.09 0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 4.682 29.339) 29.710 2.067 ( 0.000 6.106 32.174) 32.748 2.632 ( 0.000 21.250 21.144) 29.977 3.105 ( 0.000 0.064 -13.177) 13.177 3.302 ( -0.000 -1.868 -31.316) 31.372 3.567 ( 0.000 10.221 -24.378) 26.434 4.408 ( 0.000 5.946 0.755) 5.993 4.527 ( 0.000 2.374 -5.116) 5.640 6.322 ( 0.000 1.291 16.283) 16.334 6.542 ( -0.000 -6.667 26.030) 26.871 6.959 ( 0.000 1.024 -16.269) 16.301 7.278 ( -0.000 -23.073 -2.728) 23.233 7.584 ( -0.000 -5.747 23.945) 24.625 8.226 ( -0.000 -2.590 -7.401) 7.841 8.281 ( 0.000 16.530 0.305) 16.532 8.748 ( 0.000 6.478 -15.178) 16.502 10.247 ( -0.000 -9.606 7.995) 12.498 10.690 ( -0.000 -20.538 -14.250) 24.997 10.845 ( -0.000 -3.367 3.685) 4.992 11.147 ( -0.000 -0.661 -9.182) 9.206 11.442 ( 0.000 10.544 7.618) 13.008 11.534 ( 0.000 2.125 4.341) 4.833 11.689 ( 0.000 4.793 -3.414) 5.885 11.766 ( 0.000 10.190 -8.568) 13.313 12.166 ( -0.000 -19.377 8.825) 21.292 12.486 ( -0.000 -8.457 -9.128) 12.444 15.657 ( 0.000 10.284 8.351) 13.247 15.895 ( 0.000 0.288 -2.768) 2.783 22.869 ( 0.000 1.138 2.504) 2.750 22.976 ( 0.000 1.644 -2.786) 3.235 24.005 ( 0.000 5.482 1.255) 5.624 24.091 ( 0.000 7.692 -3.427) 8.421 26.524 ( 0.000 4.575 3.081) 5.516 26.683 ( 0.000 7.709 -5.071) 9.228 28.211 ( -0.000 -6.156 6.432) 8.903 28.425 ( -0.000 -6.749 -4.141) 7.918 ======================= Grid point 399 (125/180) ======================= q-point: ( 0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 19.333 -0.000 7.011) 20.565 2.618 ( 14.398 -0.000 13.335) 19.624 2.875 ( 10.098 -0.000 -0.890) 10.137 3.578 ( 4.823 -0.000 -24.789) 25.254 4.484 ( 26.453 -0.000 7.198) 27.415 4.751 ( 9.606 -0.000 -6.069) 11.363 5.840 ( 19.914 -0.000 4.272) 20.367 5.904 ( 25.903 -0.000 -0.041) 25.903 6.493 ( -20.144 0.000 23.915) 31.268 6.665 ( -2.385 0.000 11.496) 11.741 6.934 ( 7.773 -0.000 16.989) 18.683 7.069 ( -14.032 0.000 13.049) 19.162 7.769 ( -4.343 0.000 -7.235) 8.439 7.831 ( -2.361 0.000 -11.334) 11.577 8.231 ( -12.653 0.000 -19.845) 23.535 8.311 ( 6.212 -0.000 -20.517) 21.437 9.806 ( -13.318 0.000 -4.609) 14.093 9.813 ( -17.330 0.000 -5.940) 18.320 10.938 ( 1.906 -0.000 11.212) 11.373 10.977 ( -2.341 0.000 2.546) 3.459 11.091 ( -9.449 0.000 -2.485) 9.770 11.275 ( 3.669 -0.000 -5.656) 6.742 11.996 ( 10.648 -0.000 1.389) 10.738 12.135 ( 10.212 -0.000 -5.305) 11.508 12.693 ( -0.697 0.000 3.387) 3.458 12.768 ( -2.280 0.000 -0.761) 2.404 14.897 ( -6.086 0.000 4.321) 7.464 14.947 ( -6.077 0.000 0.972) 6.154 23.574 ( 6.749 -0.000 1.522) 6.918 23.582 ( -2.648 0.000 0.491) 2.694 24.283 ( 7.896 -0.000 4.804) 9.243 24.703 ( 13.428 -0.000 -17.304) 21.903 26.607 ( 2.651 -0.000 -0.484) 2.694 26.620 ( 6.728 -0.000 -1.326) 6.857 27.899 ( -8.941 0.000 4.668) 10.086 27.906 ( -8.072 0.000 2.944) 8.592 ======================= Grid point 400 (126/180) ======================= q-point: ( 0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 15.711 -1.588 3.510) 16.176 2.872 ( 14.504 -3.180 4.163) 15.421 3.094 ( 14.734 -0.760 5.441) 15.725 3.657 ( 5.330 1.314 -19.653) 20.406 4.821 ( 12.445 -0.823 0.978) 12.511 4.839 ( 0.405 -2.198 0.527) 2.296 6.058 ( 5.092 -0.108 12.618) 13.607 6.127 ( -17.627 4.220 20.803) 27.592 6.275 ( 16.293 -2.226 -0.745) 16.461 6.537 ( -11.487 0.718 3.543) 12.042 6.874 ( -11.271 -0.866 4.147) 12.041 7.031 ( -3.913 -1.221 2.461) 4.781 7.664 ( -1.588 2.489 -1.158) 3.171 7.745 ( -0.679 6.709 -6.899) 9.647 8.068 ( -3.288 1.948 -2.042) 4.333 8.493 ( 11.900 -0.779 -15.427) 19.499 9.522 ( -17.541 -1.284 -3.052) 17.851 9.631 ( -10.608 -6.038 -7.264) 14.204 10.805 ( -7.997 -0.124 2.714) 8.446 10.939 ( -8.598 -1.014 -4.887) 9.942 11.107 ( 7.927 0.859 6.720) 10.427 11.365 ( 6.501 0.347 -3.138) 7.228 12.157 ( 10.180 2.557 3.092) 10.942 12.298 ( 6.616 -0.160 -2.517) 7.081 12.610 ( -3.845 6.009 1.999) 7.408 12.689 ( -3.573 2.340 -5.734) 7.150 14.816 ( 0.195 3.109 6.353) 7.076 14.991 ( 0.560 -11.341 -2.893) 11.717 23.521 ( -4.312 -0.258 2.552) 5.018 23.631 ( 0.617 0.495 -2.534) 2.655 24.406 ( 6.212 -0.128 7.762) 9.942 24.851 ( 5.452 1.555 -14.784) 15.833 26.677 ( 4.579 -1.238 0.830) 4.815 26.758 ( 8.961 -0.403 -3.427) 9.603 27.759 ( -6.314 1.340 3.986) 7.586 27.789 ( -6.783 -1.222 2.633) 7.378 ======================= Grid point 401 (127/180) ======================= q-point: ( 0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 9.248 0.197 3.131) 9.765 3.129 ( 9.706 -2.204 -0.916) 9.995 3.347 ( 14.996 1.734 4.963) 15.891 3.713 ( 4.493 4.115 -13.347) 14.672 4.825 ( -6.925 -5.978 3.811) 9.911 4.938 ( 1.018 -1.925 0.444) 2.223 5.783 ( -19.521 0.884 16.030) 25.275 6.044 ( -5.501 4.926 15.905) 17.536 6.361 ( -7.438 -2.926 -3.437) 8.700 6.458 ( -1.743 1.977 -6.470) 6.987 6.650 ( -9.946 -1.739 0.644) 10.118 6.817 ( -20.354 -4.396 -5.036) 21.424 7.705 ( 8.466 8.461 -1.916) 12.121 7.754 ( 10.126 4.579 -1.941) 11.282 8.035 ( -0.648 0.908 15.320) 15.361 8.672 ( 10.046 2.581 -11.488) 15.478 9.291 ( -13.630 -6.284 3.073) 15.320 9.600 ( -5.147 -11.693 -10.245) 16.376 10.701 ( -5.930 -1.656 -0.182) 6.159 10.845 ( -4.374 -3.323 -8.009) 9.712 11.201 ( 5.604 2.615 7.214) 9.502 11.463 ( 6.061 1.480 -3.196) 7.009 12.261 ( -5.424 6.315 5.478) 9.965 12.276 ( 9.453 6.316 4.089) 12.082 12.481 ( -4.966 4.555 -0.570) 6.763 12.676 ( 4.736 1.764 -14.602) 15.452 14.843 ( 4.952 0.011 10.311) 11.439 15.163 ( 4.461 -10.990 -6.293) 13.427 23.450 ( -5.175 -1.229 3.035) 6.124 23.597 ( -3.841 0.269 -4.294) 5.767 24.481 ( 3.023 0.662 8.121) 8.690 24.863 ( -0.611 2.775 -11.044) 11.404 26.772 ( 5.470 -0.087 1.824) 5.767 26.908 ( 9.010 1.328 -5.165) 10.470 27.664 ( -4.308 -0.375 3.954) 5.860 27.720 ( -3.452 -2.166 1.627) 4.388 ======================= Grid point 402 (128/180) ======================= q-point: (-0.55 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 3.413 4.732 1.837) 6.117 3.201 ( -0.238 4.091 -1.698) 4.436 3.501 ( 8.509 9.129 2.933) 12.820 3.720 ( 3.720 5.158 -8.260) 10.425 4.717 ( -13.005 -3.558 2.674) 13.746 4.911 ( -12.415 -2.280 -5.462) 13.754 5.471 ( -14.694 -6.433 21.863) 27.116 5.847 ( -13.279 -0.511 13.346) 18.834 6.122 ( -24.666 -2.074 -1.189) 24.782 6.364 ( -8.183 -1.222 -16.416) 18.383 6.521 ( -1.977 0.136 2.904) 3.515 6.759 ( 4.646 -4.634 -3.341) 7.364 7.733 ( 3.765 6.515 0.002) 7.524 7.821 ( -0.510 1.862 2.930) 3.509 8.017 ( 2.208 3.224 13.315) 13.877 8.758 ( 4.495 3.707 -14.406) 15.540 9.253 ( -2.823 -11.802 11.570) 16.767 9.696 ( -0.639 -13.251 -10.991) 17.228 10.644 ( -3.319 -3.076 0.064) 4.526 10.882 ( 1.983 -5.872 -10.895) 12.535 11.241 ( 3.154 3.004 7.617) 8.774 11.529 ( 4.777 2.889 -5.236) 7.654 12.071 ( -6.110 7.715 6.167) 11.615 12.332 ( 5.943 7.923 6.974) 12.113 12.347 ( -4.892 3.794 -4.775) 7.818 12.724 ( 4.294 5.647 -14.894) 16.497 14.973 ( 8.646 -2.555 12.999) 15.819 15.365 ( 6.598 -8.538 -7.506) 13.144 23.375 ( -5.787 -1.533 2.568) 6.514 23.505 ( -7.238 -0.741 -4.014) 8.310 24.493 ( 0.385 2.131 6.571) 6.918 24.783 ( -4.644 3.269 -7.835) 9.677 26.849 ( 5.064 2.499 2.408) 6.139 27.014 ( 7.225 4.358 -6.002) 10.355 27.633 ( -1.368 -2.871 4.493) 5.504 27.724 ( -0.127 -3.972 0.246) 3.982 ======================= Grid point 403 (129/180) ======================= q-point: (-0.45 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -6.444 13.269 1.151) 14.795 3.092 ( -1.555 7.894 -3.376) 8.726 3.411 ( -2.595 13.931 6.070) 15.416 3.733 ( 3.021 5.929 -9.740) 11.796 4.461 ( -20.888 -0.807 -2.242) 21.024 4.493 ( -26.051 7.338 -3.395) 27.277 5.494 ( -15.978 -10.535 15.801) 24.818 5.669 ( -1.207 -12.856 16.504) 20.955 5.703 ( -26.264 0.578 -2.460) 26.386 6.199 ( -4.759 0.716 1.357) 5.000 6.688 ( 8.456 -6.490 -3.915) 11.356 6.892 ( 5.304 -3.895 -1.980) 6.872 7.646 ( -7.937 2.586 2.358) 8.675 7.777 ( -0.438 -1.802 8.421) 8.623 8.027 ( 1.158 1.160 0.446) 1.698 8.766 ( 1.904 3.291 -20.050) 20.407 9.404 ( 3.150 -12.120 14.315) 19.019 9.852 ( 2.084 -12.176 -10.335) 16.106 10.684 ( 2.709 -5.449 3.707) 7.126 10.989 ( 0.618 -6.336 -10.254) 12.070 11.254 ( 2.445 1.912 7.382) 8.008 11.566 ( 5.136 4.377 -9.049) 11.288 11.917 ( -4.244 3.936 7.203) 9.241 12.227 ( -3.596 4.918 -2.223) 6.485 12.310 ( 1.882 8.109 2.460) 8.680 12.673 ( 0.687 11.046 -14.012) 17.855 15.179 ( 11.106 -4.473 13.800) 18.270 15.564 ( 7.768 -5.526 -6.623) 11.608 23.282 ( -7.109 -0.565 1.954) 7.395 23.381 ( -9.127 -1.952 -3.002) 9.804 24.452 ( -0.995 4.203 4.142) 5.984 24.648 ( -6.743 3.494 -5.464) 9.356 26.879 ( 3.670 5.483 2.785) 7.162 27.052 ( 4.984 6.838 -5.830) 10.275 27.681 ( 1.705 -5.014 4.605) 7.018 27.800 ( 2.390 -6.062 -0.903) 6.578 ======================= Grid point 404 (130/180) ======================= q-point: (-0.36 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -9.261 17.855 4.791) 20.676 2.979 ( -0.977 8.342 -8.007) 11.605 3.125 ( -12.665 13.856 10.287) 21.405 3.618 ( -9.141 6.358 -10.231) 15.121 4.058 ( -11.813 12.897 -3.536) 17.844 4.107 ( -17.400 2.048 -3.626) 17.891 5.138 ( -24.111 0.344 3.780) 24.408 5.246 ( -24.118 4.995 -3.232) 24.840 6.014 ( 8.357 -23.350 20.238) 32.010 6.202 ( 3.340 -2.080 11.575) 12.225 6.744 ( -6.266 1.049 8.669) 10.747 7.043 ( 4.678 -6.496 -1.059) 8.075 7.470 ( -11.297 -0.707 0.985) 11.361 7.917 ( 5.785 -14.189 -6.172) 16.519 8.043 ( 2.757 -1.120 0.974) 3.131 8.771 ( 3.433 3.113 -23.833) 24.280 9.589 ( 3.774 -10.860 13.863) 18.011 10.021 ( 3.163 -9.706 -9.691) 14.075 10.833 ( 5.458 -6.562 5.153) 9.970 10.991 ( -6.479 -3.918 -3.549) 8.362 11.305 ( 4.075 -1.706 5.793) 7.285 11.634 ( 8.487 3.503 -10.673) 14.079 11.837 ( -3.106 0.287 5.768) 6.557 12.098 ( -3.162 9.113 3.268) 10.185 12.241 ( -1.583 3.289 -5.728) 6.792 12.510 ( -2.305 15.469 -12.878) 20.259 15.429 ( 11.525 -5.789 12.816) 18.182 15.739 ( 7.721 -2.304 -4.070) 9.027 23.144 ( -8.974 0.693 2.300) 9.290 23.251 ( -8.803 -1.517 -3.027) 9.432 24.371 ( -1.446 6.555 1.991) 7.001 24.494 ( -6.307 3.937 -4.015) 8.450 26.851 ( 1.991 8.018 3.263) 8.883 27.036 ( 3.215 8.341 -5.684) 10.593 27.789 ( 3.172 -6.706 4.684) 8.774 27.931 ( 3.722 -8.106 -1.787) 9.097 ======================= Grid point 405 (131/180) ======================= q-point: (-0.27 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -5.006 16.228 13.280) 21.559 2.668 ( -17.763 12.925 17.584) 28.139 2.972 ( 6.286 6.428 -15.554) 17.966 3.369 ( -10.371 5.638 -10.110) 15.542 3.668 ( -13.279 15.777 -0.435) 20.626 3.943 ( -0.044 9.312 -9.706) 13.451 4.772 ( -15.623 3.305 0.333) 15.973 4.824 ( -16.324 8.173 -3.046) 18.508 6.275 ( 4.641 -4.421 18.059) 19.163 6.415 ( 4.433 -17.108 12.464) 21.626 6.577 ( -8.384 -2.288 15.556) 17.820 7.091 ( -4.880 0.600 -13.311) 14.190 7.352 ( -4.947 -7.521 17.573) 19.744 8.059 ( 0.575 -6.331 -12.855) 14.341 8.285 ( 8.686 -14.175 -0.767) 16.642 8.810 ( 4.939 3.413 -21.724) 22.539 9.796 ( 5.351 -14.127 9.671) 17.937 10.154 ( 2.003 -6.156 -9.375) 11.393 10.840 ( -9.240 -3.216 4.689) 10.849 11.024 ( 3.750 -4.382 -1.678) 6.006 11.445 ( 7.174 -7.179 7.048) 12.356 11.718 ( 1.729 1.736 0.314) 2.470 11.801 ( 0.622 1.465 -1.576) 2.240 11.924 ( -2.869 11.986 4.831) 13.237 12.206 ( -2.652 -4.107 -12.567) 13.484 12.279 ( -2.708 17.212 -11.772) 21.028 15.668 ( 8.240 -6.215 10.026) 14.389 15.862 ( 5.708 0.942 -0.691) 5.826 22.990 ( -7.114 1.544 2.904) 7.838 23.119 ( -7.017 1.078 -3.480) 7.907 24.265 ( -1.312 7.940 1.145) 8.129 24.361 ( -3.401 5.370 -3.706) 7.358 26.775 ( 0.669 9.288 3.735) 10.033 26.977 ( 1.566 9.372 -6.071) 11.276 27.922 ( 2.507 -8.154 5.215) 9.998 28.092 ( 3.229 -9.717 -2.649) 10.577 ======================= Grid point 406 (132/180) ======================= q-point: (-0.18 0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.000 8.633 25.296) 26.729 2.291 ( 0.000 16.874 18.805) 25.266 2.999 ( 0.000 8.255 -10.447) 13.315 3.248 ( -0.000 -2.908 -25.849) 26.012 3.310 ( 0.000 21.329 9.632) 23.403 3.826 ( 0.000 12.183 -15.359) 19.604 4.579 ( 0.000 8.929 -1.944) 9.138 4.595 ( 0.000 3.580 -2.169) 4.186 6.368 ( 0.000 2.850 15.296) 15.560 6.406 ( -0.000 -5.001 21.706) 22.275 6.765 ( -0.000 -23.071 7.359) 24.217 6.996 ( 0.000 2.389 -16.528) 16.699 7.419 ( -0.000 -8.674 23.968) 25.490 8.135 ( -0.000 -5.628 -11.133) 12.475 8.467 ( -0.000 -3.948 -3.115) 5.029 8.826 ( 0.000 2.787 -16.296) 16.533 10.036 ( -0.000 -14.187 3.012) 14.504 10.251 ( -0.000 -11.553 -8.713) 14.470 10.773 ( -0.000 -2.854 7.074) 7.628 11.099 ( -0.000 -3.346 -5.893) 6.777 11.621 ( 0.000 5.226 2.717) 5.890 11.697 ( -0.000 -5.824 9.763) 11.368 11.739 ( 0.000 1.652 8.536) 8.695 11.809 ( 0.000 5.657 -5.387) 7.812 12.069 ( 0.000 15.074 -9.019) 17.566 12.262 ( -0.000 -9.403 -15.744) 18.338 15.794 ( -0.000 -1.857 6.421) 6.684 15.898 ( 0.000 1.880 1.938) 2.701 22.904 ( 0.000 1.924 2.885) 3.467 23.026 ( 0.000 2.755 -3.160) 4.192 24.163 ( 0.000 8.133 1.190) 8.219 24.263 ( 0.000 7.042 -4.057) 8.127 26.678 ( 0.000 8.829 3.821) 9.620 26.884 ( 0.000 9.765 -6.390) 11.670 28.039 ( -0.000 -8.645 5.923) 10.480 28.234 ( -0.000 -10.024 -3.352) 10.569 ======================= Grid point 411 (133/180) ======================= q-point: ( 0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 11.062 -0.000 2.247) 11.288 3.093 ( 12.808 -0.000 0.154) 12.809 3.366 ( 17.390 -0.000 4.896) 18.066 3.765 ( 6.158 -0.000 -15.055) 16.265 4.748 ( -8.576 0.000 5.440) 10.156 4.918 ( 0.082 -0.000 -1.243) 1.246 5.790 ( -21.857 0.000 18.188) 28.435 6.144 ( 0.142 -0.000 13.981) 13.982 6.290 ( -15.782 0.000 0.102) 15.782 6.475 ( 7.409 -0.000 -1.137) 7.496 6.674 ( -12.057 0.000 -9.413) 15.297 6.733 ( -22.673 0.000 -4.029) 23.028 7.803 ( 9.298 -0.000 0.937) 9.345 7.816 ( 4.413 -0.000 -2.406) 5.027 8.046 ( 0.470 -0.000 15.886) 15.893 8.704 ( 11.385 -0.000 -9.973) 15.136 9.224 ( -16.149 0.000 -0.475) 16.156 9.447 ( -5.907 0.000 -9.778) 11.424 10.684 ( -5.649 0.000 -1.022) 5.740 10.803 ( -6.140 0.000 -9.647) 11.435 11.234 ( 5.698 -0.000 9.904) 11.427 11.477 ( 6.239 -0.000 -1.355) 6.384 12.258 ( -0.625 0.000 8.467) 8.490 12.420 ( 3.801 -0.000 -0.417) 3.823 12.612 ( 0.594 -0.000 -5.811) 5.842 12.638 ( 1.190 -0.000 -8.609) 8.691 14.916 ( 3.400 -0.000 1.911) 3.900 14.951 ( 7.132 -0.000 0.624) 7.159 23.436 ( -5.292 0.000 3.392) 6.286 23.600 ( -4.380 0.000 -4.758) 6.467 24.489 ( 3.580 -0.000 8.540) 9.260 24.897 ( -0.734 0.000 -12.110) 12.132 26.771 ( 6.986 -0.000 2.633) 7.466 26.923 ( 10.461 -0.000 -5.117) 11.646 27.663 ( -6.068 0.000 3.168) 6.845 27.690 ( -3.749 0.000 2.325) 4.412 ======================= Grid point 412 (134/180) ======================= q-point: ( 0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 7.315 1.887 1.146) 7.641 3.249 ( 5.410 0.607 -1.097) 5.553 3.639 ( 15.849 3.097 1.286) 16.200 3.832 ( 3.409 3.907 -8.651) 10.086 4.586 ( -13.552 -5.431 5.860) 15.732 4.862 ( -7.657 -1.303 -4.883) 9.174 5.398 ( -23.764 -1.188 20.568) 31.452 5.916 ( -18.224 5.603 8.089) 20.711 6.049 ( -22.106 -4.719 0.926) 22.623 6.369 ( -11.721 1.078 -19.030) 22.376 6.526 ( -1.397 -0.124 3.688) 3.946 6.684 ( 7.717 -1.878 -2.110) 8.218 7.842 ( -1.160 2.818 0.955) 3.193 7.857 ( -1.420 1.109 0.689) 1.929 8.076 ( 2.134 1.448 19.500) 19.669 8.819 ( 2.317 1.678 -11.074) 11.437 9.054 ( -4.664 -4.974 8.896) 11.208 9.453 ( 1.259 -6.915 -11.160) 13.189 10.620 ( -1.929 0.541 -3.339) 3.894 10.760 ( -1.040 -4.112 -11.756) 12.498 11.293 ( 2.374 1.345 11.163) 11.492 11.564 ( 4.632 0.645 -2.454) 5.281 12.162 ( -8.100 1.421 8.165) 11.589 12.390 ( -4.464 0.941 -3.176) 5.559 12.602 ( 8.703 12.377 -2.783) 15.384 12.777 ( 7.494 -2.339 -11.439) 13.873 14.966 ( 6.823 2.607 6.575) 9.827 15.152 ( 7.692 -9.024 -2.906) 12.208 23.352 ( -5.058 -0.520 2.799) 5.804 23.496 ( -7.899 -0.178 -4.439) 9.062 24.524 ( 1.177 0.684 7.068) 7.198 24.839 ( -4.917 1.421 -8.712) 10.104 26.891 ( 7.525 1.096 3.641) 8.431 27.086 ( 9.715 1.867 -6.166) 11.657 27.583 ( -3.846 -1.320 3.991) 5.698 27.656 ( -1.452 -1.809 0.523) 2.378 ======================= Grid point 413 (135/180) ======================= q-point: (-0.55 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -1.746 6.285 -0.442) 6.538 3.249 ( 2.977 5.964 -1.120) 6.760 3.674 ( -5.382 9.998 1.038) 11.402 3.851 ( 4.195 4.000 -6.985) 9.077 4.400 ( -17.102 -4.186 3.190) 17.893 4.621 ( -17.634 3.136 -7.229) 19.315 5.205 ( -5.451 -10.181 25.960) 28.413 5.556 ( -19.642 -0.894 8.354) 21.364 5.694 ( -22.694 -1.353 -2.353) 22.856 6.200 ( -6.512 -0.627 -16.897) 18.119 6.603 ( 7.408 -0.844 4.319) 8.616 6.837 ( 7.421 -1.744 -0.712) 7.657 7.712 ( -9.847 3.107 2.458) 10.614 7.761 ( -7.741 -0.003 5.233) 9.344 8.060 ( -1.965 0.985 10.191) 10.426 8.799 ( -1.357 -0.040 -14.616) 14.679 9.152 ( 4.266 -9.035 13.480) 16.779 9.600 ( 4.555 -9.319 -11.028) 15.140 10.619 ( 2.605 -0.220 -0.739) 2.716 10.833 ( 0.683 -6.995 -10.474) 12.613 11.292 ( -0.226 1.358 11.819) 11.899 11.625 ( 4.300 1.318 -6.444) 7.858 12.008 ( -6.347 3.223 5.942) 9.273 12.290 ( -5.252 1.774 -7.660) 9.456 12.598 ( 7.800 14.693 2.693) 16.852 12.874 ( 5.776 5.591 -12.378) 14.759 15.090 ( 8.112 -2.306 10.507) 13.473 15.384 ( 7.482 -9.564 -4.800) 13.057 23.276 ( -4.811 -0.083 1.355) 4.998 23.352 ( -9.412 -0.734 -2.465) 9.757 24.517 ( -0.144 1.836 4.264) 4.645 24.716 ( -6.932 2.341 -5.492) 9.149 26.982 ( 6.221 3.631 3.984) 8.232 27.187 ( 6.819 5.165 -5.964) 10.428 27.578 ( -0.353 -4.192 4.136) 5.900 27.682 ( 0.622 -4.145 -0.856) 4.278 ======================= Grid point 414 (136/180) ======================= q-point: (-0.45 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -9.990 12.472 1.802) 16.081 3.184 ( -0.293 9.093 -4.977) 10.370 3.366 ( -16.941 7.959 5.522) 19.515 3.713 ( -15.422 1.997 -11.087) 19.098 4.197 ( -1.576 6.746 3.189) 7.627 4.341 ( -7.553 11.297 -4.035) 14.176 5.106 ( -19.081 -2.849 9.845) 21.660 5.326 ( -19.905 2.138 -4.022) 20.420 5.533 ( 4.336 -18.745 20.271) 27.948 6.179 ( 1.871 -1.474 -4.948) 5.491 6.718 ( 0.750 -2.362 3.197) 4.045 6.957 ( 5.226 -1.649 4.767) 7.263 7.481 ( -13.724 1.427 -2.520) 14.026 7.687 ( -1.893 -5.871 3.980) 7.341 8.013 ( -3.397 -1.650 3.987) 5.491 8.790 ( -0.344 -0.973 -20.693) 20.719 9.340 ( 4.091 -10.851 13.931) 18.126 9.791 ( 5.282 -10.063 -10.244) 15.300 10.715 ( 5.752 -3.271 4.196) 7.835 10.884 ( -3.512 -5.427 -4.057) 7.632 11.274 ( -1.143 -0.837 10.829) 10.921 11.694 ( 6.448 1.627 -12.183) 13.880 11.893 ( -3.002 3.446 3.946) 6.039 12.184 ( -5.009 1.864 -9.720) 11.092 12.522 ( 4.020 16.954 5.069) 18.147 12.840 ( 2.646 13.180 -12.633) 18.448 15.278 ( 7.965 -6.733 12.544) 16.314 15.605 ( 6.469 -8.950 -4.776) 12.032 23.165 ( -7.998 1.029 1.381) 8.181 23.232 ( -5.498 -0.446 -1.914) 5.839 24.482 ( -0.550 3.429 1.356) 3.728 24.570 ( -6.548 2.901 -2.808) 7.692 27.013 ( 3.952 6.327 4.061) 8.494 27.206 ( 3.898 7.032 -4.677) 9.301 27.652 ( 2.067 -5.762 3.175) 6.897 27.764 ( 1.814 -6.630 -1.674) 7.075 ======================= Grid point 415 (137/180) ======================= q-point: (-0.36 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -16.145 9.817 9.418) 21.112 2.990 ( -7.575 15.392 8.570) 19.177 3.122 ( 0.549 5.806 -12.065) 13.400 3.428 ( -14.458 2.672 -12.192) 19.100 4.085 ( -1.120 19.280 1.647) 19.382 4.147 ( 2.335 9.117 -3.210) 9.943 4.822 ( -13.903 1.143 5.261) 14.909 4.988 ( -13.670 6.380 -4.253) 15.674 5.883 ( 6.255 -23.586 19.744) 31.388 6.267 ( 6.157 -1.240 5.023) 8.043 6.621 ( -9.652 2.676 10.182) 14.283 7.071 ( 3.932 -3.223 5.757) 7.681 7.250 ( -11.793 -0.511 -1.950) 11.964 7.843 ( 4.852 -12.294 -9.622) 16.348 8.014 ( -1.344 -8.061 4.141) 9.161 8.816 ( 1.323 -2.314 -26.527) 26.661 9.513 ( 1.989 -11.491 14.935) 18.949 9.985 ( 4.499 -9.213 -10.010) 14.329 10.772 ( -5.672 -2.957 7.121) 9.571 10.923 ( 4.461 -4.251 0.833) 6.218 11.284 ( -1.114 -5.346 10.794) 12.097 11.788 ( 3.649 3.303 -5.201) 7.161 11.843 ( 3.687 1.336 -7.404) 8.379 12.076 ( -5.717 1.806 -10.442) 12.041 12.367 ( 0.787 17.307 4.780) 17.972 12.684 ( 0.188 18.350 -12.349) 22.119 15.486 ( 5.563 -9.425 12.747) 16.801 15.787 ( 4.189 -7.245 -3.425) 9.043 23.026 ( -6.078 1.557 2.961) 6.938 23.152 ( -3.425 1.702 -3.280) 5.039 24.417 ( -1.499 5.543 0.004) 5.742 24.454 ( -2.816 3.170 -1.681) 4.561 26.977 ( 1.700 8.501 4.176) 9.623 27.171 ( 1.884 7.988 -4.441) 9.332 27.757 ( 1.824 -6.712 3.117) 7.622 27.881 ( 1.737 -8.879 -2.321) 9.340 ======================= Grid point 416 (138/180) ======================= q-point: (-0.27 0.27 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 7.746 17.428) 19.072 2.718 ( 0.000 20.191 10.510) 22.763 3.174 ( 0.000 9.324 -11.826) 15.059 3.179 ( -0.000 -3.244 -20.553) 20.808 3.833 ( 0.000 23.427 6.559) 24.327 4.073 ( 0.000 9.868 -7.298) 12.273 4.671 ( 0.000 2.947 2.460) 3.839 4.779 ( 0.000 8.621 -3.828) 9.433 6.197 ( -0.000 -21.277 16.911) 27.179 6.385 ( -0.000 -4.516 10.479) 11.410 6.449 ( 0.000 4.438 13.985) 14.673 7.068 ( 0.000 4.083 -16.433) 16.933 7.221 ( -0.000 -8.765 22.483) 24.131 7.984 ( -0.000 -7.795 -14.623) 16.571 8.176 ( -0.000 -17.195 2.949) 17.446 8.860 ( -0.000 -1.517 -26.607) 26.651 9.673 ( -0.000 -14.427 12.917) 19.364 10.114 ( -0.000 -6.362 -10.216) 12.035 10.724 ( -0.000 -1.595 9.465) 9.598 11.016 ( -0.000 -3.933 -1.974) 4.400 11.375 ( -0.000 -11.684 12.674) 17.238 11.742 ( 0.000 5.272 1.010) 5.368 11.929 ( 0.000 5.016 -6.687) 8.359 11.961 ( 0.000 2.042 -10.812) 11.003 12.204 ( 0.000 10.242 -2.073) 10.449 12.467 ( 0.000 19.772 -11.721) 22.985 15.645 ( -0.000 -9.547 11.545) 14.981 15.889 ( -0.000 -4.154 -1.721) 4.497 22.950 ( 0.000 2.099 3.374) 3.974 23.091 ( 0.000 2.989 -3.639) 4.709 24.333 ( 0.000 6.691 0.451) 6.706 24.390 ( 0.000 4.557 -2.418) 5.158 26.888 ( 0.000 9.641 4.172) 10.505 27.093 ( 0.000 8.882 -5.240) 10.312 27.854 ( -0.000 -7.784 4.067) 8.782 28.005 ( -0.000 -10.201 -2.825) 10.585 ======================= Grid point 423 (139/180) ======================= q-point: ( 0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 1.248 -0.000 -0.381) 1.305 3.316 ( 4.231 -0.000 -1.169) 4.390 3.828 ( -10.370 0.000 -3.301) 10.883 3.873 ( 4.561 -0.000 -4.797) 6.619 4.331 ( -7.844 0.000 7.170) 10.627 4.647 ( -15.052 0.000 -8.435) 17.254 5.099 ( -8.596 0.000 26.881) 28.222 5.558 ( -24.531 0.000 8.046) 25.817 5.671 ( -20.300 0.000 -2.943) 20.512 6.190 ( -7.934 0.000 -24.044) 25.319 6.604 ( 6.817 -0.000 8.312) 10.750 6.816 ( 8.144 -0.000 0.587) 8.165 7.757 ( -11.593 0.000 -2.898) 11.949 7.761 ( -8.034 0.000 6.558) 10.371 8.064 ( -4.002 0.000 15.864) 16.361 8.790 ( -3.526 0.000 -10.407) 10.988 9.052 ( 5.150 -0.000 11.234) 12.358 9.488 ( 6.148 -0.000 -11.331) 12.891 10.646 ( 3.385 -0.000 -4.638) 5.742 10.725 ( 0.182 -0.000 -9.003) 9.005 11.308 ( -1.213 0.000 13.287) 13.342 11.638 ( 4.124 -0.000 -5.554) 6.917 12.044 ( -6.512 0.000 5.626) 8.606 12.309 ( -5.365 0.000 -7.402) 9.142 12.842 ( 6.358 -0.000 -4.187) 7.613 12.879 ( 10.046 -0.000 -5.912) 11.657 15.089 ( 5.769 -0.000 5.699) 8.109 15.236 ( 8.473 -0.000 -1.459) 8.598 23.275 ( -3.787 0.000 1.150) 3.957 23.345 ( -9.663 0.000 -2.319) 9.938 24.537 ( 0.055 -0.000 4.408) 4.409 24.742 ( -7.142 0.000 -5.741) 9.164 27.025 ( 7.214 -0.000 4.571) 8.540 27.255 ( 8.612 -0.000 -6.820) 10.986 27.520 ( -2.293 0.000 4.869) 5.382 27.634 ( 0.088 -0.000 -0.952) 0.956 ======================= Grid point 425 (140/180) ======================= q-point: (-0.55 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -10.879 5.253 0.198) 12.082 3.324 ( -2.181 2.914 -4.444) 5.744 3.482 ( -19.774 2.596 2.703) 20.126 3.728 ( -15.507 0.041 -8.811) 17.835 4.364 ( 8.384 6.765 5.432) 12.065 4.507 ( -0.079 2.464 0.786) 2.587 5.030 ( -8.642 -3.039 16.732) 19.075 5.243 ( -10.480 -5.951 13.654) 18.212 5.354 ( -17.241 0.108 -4.439) 17.803 6.125 ( -1.106 -2.324 -22.343) 22.491 6.699 ( 3.572 0.388 9.519) 10.175 6.928 ( 3.916 -1.065 6.964) 8.060 7.520 ( -13.782 1.719 -7.792) 15.926 7.630 ( -5.970 -0.778 3.986) 7.220 7.977 ( -6.537 -1.124 12.967) 14.565 8.748 ( -2.656 -1.896 -10.580) 11.071 9.173 ( 6.015 -3.597 8.071) 10.689 9.615 ( 5.397 -4.792 -12.099) 14.088 10.698 ( 4.060 1.550 0.218) 4.352 10.769 ( 0.856 -4.548 -3.217) 5.637 11.266 ( -3.409 -0.083 13.973) 14.383 11.713 ( 5.330 0.302 -11.496) 12.675 11.952 ( -3.564 1.479 2.766) 4.748 12.215 ( -5.384 0.795 -9.932) 11.325 12.859 ( 5.035 11.226 1.227) 12.365 13.026 ( 6.694 2.637 -7.904) 10.688 15.183 ( 5.294 -1.319 8.486) 10.089 15.405 ( 6.251 -7.016 -2.816) 9.810 23.184 ( -8.521 0.540 0.772) 8.573 23.226 ( -2.812 -0.150 -1.314) 3.108 24.529 ( -0.291 0.985 1.335) 1.684 24.616 ( -6.879 1.072 -2.793) 7.502 27.115 ( 4.966 2.584 4.873) 7.422 27.344 ( 4.978 5.092 -5.421) 8.950 27.531 ( 0.746 -4.802 3.815) 6.178 27.659 ( 1.096 -2.517 -1.835) 3.302 ======================= Grid point 426 (141/180) ======================= q-point: (-0.45 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 484 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -22.325 4.786 5.694) 23.531 3.183 ( -9.484 0.442 -11.908) 15.230 3.279 ( -2.504 9.307 5.550) 11.122 3.527 ( -5.216 5.178 -7.678) 10.629 4.353 ( 3.144 10.285 5.020) 11.869 4.474 ( 4.140 14.095 -0.296) 14.693 4.832 ( -11.421 0.092 9.312) 14.736 5.095 ( -10.991 3.163 -5.217) 12.571 5.386 ( 3.365 -19.972 20.581) 28.875 6.199 ( 3.933 -5.316 -15.005) 16.398 6.675 ( -4.620 2.606 10.063) 11.375 6.976 ( -0.853 -4.570 17.637) 18.239 7.304 ( -7.386 4.231 -15.534) 17.713 7.643 ( 3.705 -5.352 -1.563) 6.695 7.886 ( -7.093 -3.664 9.145) 12.140 8.745 ( -1.283 -3.561 -16.481) 16.910 9.307 ( 3.255 -6.178 8.024) 10.637 9.771 ( 3.886 -9.068 -12.265) 15.740 10.721 ( -2.149 -1.563 7.741) 8.184 10.851 ( 4.912 -2.136 1.039) 5.456 11.213 ( -3.639 -1.587 13.113) 13.701 11.812 ( 6.326 -0.321 -17.011) 18.152 11.891 ( -1.273 2.340 0.329) 2.684 12.113 ( -5.241 1.489 -10.163) 11.531 12.766 ( 2.245 16.403 4.711) 17.213 13.029 ( 2.892 11.211 -9.931) 15.254 15.300 ( 3.612 -6.139 11.110) 13.198 15.583 ( 3.489 -9.809 -3.624) 11.024 23.055 ( -5.476 0.969 3.099) 6.366 23.185 ( -1.527 1.165 -3.375) 3.883 24.503 ( -3.683 2.136 -0.565) 4.295 24.508 ( -0.703 1.920 -0.920) 2.242 27.132 ( 2.314 5.194 4.848) 7.473 27.331 ( 1.987 6.669 -2.931) 7.551 27.620 ( 1.611 -6.027 1.341) 6.381 27.720 ( 0.993 -5.182 -2.048) 5.660 ======================= Grid point 427 (142/180) ======================= q-point: (-0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 5.213 10.687) 11.891 3.110 ( -0.000 -2.797 -16.399) 16.636 3.121 ( 0.000 15.131 6.766) 16.575 3.398 ( 0.000 9.840 -7.798) 12.555 4.270 ( 0.000 9.603 1.512) 9.721 4.319 ( 0.000 19.388 0.310) 19.391 4.719 ( 0.000 1.389 7.304) 7.435 4.943 ( 0.000 5.969 -5.015) 7.796 5.675 ( -0.000 -23.921 20.553) 31.538 6.313 ( -0.000 -4.841 -6.698) 8.264 6.559 ( 0.000 5.336 13.224) 14.260 7.031 ( -0.000 -7.561 21.703) 22.983 7.187 ( 0.000 5.802 -18.115) 19.021 7.803 ( -0.000 -8.273 -16.768) 18.698 7.860 ( -0.000 -9.367 15.432) 18.053 8.781 ( -0.000 -4.395 -24.058) 24.456 9.416 ( -0.000 -8.969 12.472) 15.362 9.920 ( -0.000 -10.454 -12.037) 15.943 10.700 ( -0.000 -0.678 10.675) 10.697 10.936 ( -0.000 -3.056 0.995) 3.214 11.205 ( -0.000 -4.141 13.567) 14.185 11.843 ( 0.000 3.706 0.053) 3.707 11.912 ( -0.000 -2.896 -21.586) 21.780 12.023 ( 0.000 3.387 -7.368) 8.109 12.584 ( 0.000 19.136 5.877) 20.018 12.890 ( 0.000 17.042 -11.324) 20.462 15.422 ( -0.000 -9.466 12.459) 15.647 15.724 ( -0.000 -9.866 -3.560) 10.489 22.992 ( 0.000 1.604 3.819) 4.142 23.151 ( 0.000 2.279 -4.075) 4.669 24.441 ( 0.000 3.049 0.212) 3.056 24.475 ( 0.000 3.216 -1.689) 3.633 27.081 ( 0.000 7.357 4.630) 8.693 27.271 ( 0.000 7.257 -3.084) 7.885 27.701 ( -0.000 -6.131 1.582) 6.331 27.801 ( -0.000 -7.751 -2.247) 8.070 ======================= Grid point 436 (143/180) ======================= q-point: ( 0.45 -0.55 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -24.272 0.000 3.796) 24.567 3.181 ( -12.652 0.000 -10.938) 16.725 3.383 ( -0.750 0.000 4.340) 4.404 3.593 ( -2.142 0.000 -7.138) 7.452 4.550 ( 3.212 -0.000 11.588) 12.025 4.602 ( 9.385 -0.000 2.852) 9.809 4.835 ( -10.655 0.000 10.045) 14.643 5.125 ( -0.453 0.000 16.887) 16.893 5.128 ( -9.642 0.000 -5.561) 11.131 6.111 ( 1.359 -0.000 -26.040) 26.076 6.719 ( -1.280 0.000 12.369) 12.435 6.909 ( -4.375 0.000 17.926) 18.452 7.375 ( -4.636 0.000 -17.800) 18.394 7.575 ( 0.888 -0.000 -5.783) 5.851 7.852 ( -7.056 0.000 19.723) 20.947 8.694 ( -1.931 0.000 -7.525) 7.769 9.248 ( 4.436 -0.000 0.861) 4.519 9.654 ( 2.567 -0.000 -13.990) 14.223 10.704 ( -1.376 0.000 7.574) 7.698 10.828 ( 5.475 -0.000 0.899) 5.548 11.197 ( -3.994 0.000 13.968) 14.528 11.806 ( 5.324 -0.000 -17.707) 18.490 11.919 ( -1.471 0.000 0.367) 1.516 12.131 ( -4.885 0.000 -9.807) 10.956 12.981 ( 2.020 -0.000 2.548) 3.251 13.143 ( 4.623 -0.000 -6.344) 7.850 15.240 ( 2.597 -0.000 8.058) 8.466 15.446 ( 3.460 -0.000 -2.275) 4.141 23.066 ( -5.282 0.000 3.162) 6.156 23.199 ( -0.931 0.000 -3.436) 3.560 24.525 ( -4.296 0.000 -0.514) 4.327 24.530 ( -0.182 0.000 -0.998) 1.014 27.192 ( 2.385 -0.000 5.388) 5.892 27.454 ( 3.008 -0.000 -7.592) 8.166 27.501 ( 0.460 -0.000 6.114) 6.131 27.664 ( 1.020 -0.000 -2.386) 2.595 ======================= Grid point 438 (144/180) ======================= q-point: (-0.45 0.45 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 0.000 1.895 6.635) 6.900 3.064 ( -0.000 -1.195 -13.915) 13.966 3.351 ( 0.000 5.261 4.966) 7.235 3.561 ( 0.000 4.053 -6.733) 7.859 4.502 ( 0.000 11.138 10.869) 15.563 4.656 ( 0.000 7.569 0.961) 7.630 4.736 ( 0.000 0.309 10.364) 10.368 5.034 ( 0.000 2.100 -5.729) 6.102 5.212 ( -0.000 -14.740 18.580) 23.717 6.166 ( -0.000 -6.093 -24.314) 25.066 6.672 ( 0.000 4.280 12.929) 13.619 6.885 ( -0.000 -4.976 20.881) 21.466 7.316 ( 0.000 4.766 -19.384) 19.962 7.640 ( -0.000 -5.485 -17.350) 18.196 7.773 ( -0.000 -0.167 27.999) 27.999 8.694 ( -0.000 -2.864 -9.958) 10.361 9.296 ( -0.000 -1.877 0.554) 1.957 9.712 ( -0.000 -6.450 -14.178) 15.576 10.691 ( -0.000 -0.164 11.170) 11.171 10.888 ( -0.000 -1.165 2.568) 2.820 11.160 ( -0.000 -0.646 13.338) 13.354 11.867 ( -0.000 -1.049 -22.067) 22.092 11.900 ( 0.000 1.327 -0.385) 1.381 12.074 ( 0.000 1.189 -7.632) 7.724 12.937 ( 0.000 10.427 4.284) 11.273 13.152 ( 0.000 5.639 -7.657) 9.509 15.277 ( -0.000 -2.982 9.364) 9.827 15.516 ( -0.000 -6.852 -2.823) 7.411 23.017 ( 0.000 0.598 4.083) 4.126 23.186 ( 0.000 0.849 -4.333) 4.415 24.483 ( 0.000 0.884 0.390) 0.967 24.523 ( 0.000 1.045 -1.843) 2.119 27.196 ( 0.000 2.744 5.378) 6.037 27.420 ( 0.000 6.385 -2.351) 6.804 27.565 ( -0.000 -6.317 0.770) 6.364 27.686 ( -0.000 -2.464 -2.335) 3.395 ======================= Grid point 500 (145/180) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 0.000 0.000 -12.128) 12.128 2.609 ( 0.000 0.000 12.128) 12.128 2.665 ( 0.000 0.000 -34.907) 34.907 2.665 ( 0.000 0.000 34.907) 34.907 2.946 ( 0.000 0.000 -3.508) 3.508 2.946 ( 0.000 0.000 3.508) 3.508 4.401 ( 0.000 0.000 -4.166) 4.166 4.401 ( 0.000 0.000 4.166) 4.166 6.631 ( 0.000 0.000 -16.922) 16.922 6.631 ( 0.000 0.000 16.922) 16.922 7.162 ( 0.000 0.000 -28.150) 28.150 7.162 ( 0.000 0.000 28.150) 28.150 8.040 ( 0.000 0.000 -16.331) 16.331 8.040 ( 0.000 0.000 16.331) 16.331 8.327 ( 0.000 0.000 -18.734) 18.734 8.327 ( 0.000 0.000 18.734) 18.734 10.643 ( 0.000 0.000 -14.940) 14.940 10.643 ( 0.000 0.000 14.940) 14.940 10.980 ( 0.000 0.000 -7.224) 7.224 10.980 ( 0.000 0.000 7.224) 7.224 11.456 ( 0.000 0.000 -8.007) 8.007 11.456 ( 0.000 0.000 8.007) 8.007 11.582 ( 0.000 0.000 -2.652) 2.652 11.582 ( 0.000 0.000 2.652) 2.652 12.515 ( 0.000 0.000 -0.821) 0.821 12.515 ( 0.000 0.000 0.821) 0.821 15.720 ( 0.000 0.000 -9.889) 9.889 15.720 ( 0.000 0.000 9.889) 9.889 22.905 ( 0.000 0.000 -2.702) 2.702 22.905 ( 0.000 0.000 2.702) 2.702 23.964 ( 0.000 0.000 -1.108) 1.108 23.964 ( 0.000 0.000 1.108) 1.108 26.526 ( 0.000 0.000 -2.837) 2.837 26.526 ( 0.000 0.000 2.837) 2.837 28.402 ( 0.000 0.000 -5.932) 5.932 28.402 ( 0.000 0.000 5.932) 5.932 ======================= Grid point 502 (146/180) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -8.167 -0.312 -22.005) 23.474 2.420 ( -8.167 -0.312 22.005) 23.474 2.795 ( 5.062 -3.412 -25.170) 25.900 2.795 ( 5.062 -3.412 25.170) 25.900 3.255 ( 26.142 -5.188 -19.348) 32.934 3.255 ( 26.142 -5.188 19.348) 32.934 4.555 ( 16.455 -2.196 -2.873) 16.848 4.555 ( 16.455 -2.196 2.873) 16.848 6.725 ( 9.936 -0.007 -19.099) 21.529 6.725 ( 9.936 -0.007 19.099) 21.529 7.123 ( 0.486 7.258 -25.836) 26.841 7.123 ( 0.486 7.258 25.836) 26.841 8.023 ( -0.438 2.732 -16.785) 17.011 8.023 ( -0.438 2.732 16.785) 17.011 8.287 ( -9.220 -6.323 -17.439) 20.715 8.287 ( -9.220 -6.323 17.439) 20.715 10.454 ( -12.427 7.629 -8.384) 16.820 10.454 ( -12.427 7.629 8.384) 16.820 11.027 ( 3.105 1.689 -9.882) 10.495 11.027 ( 3.105 1.689 9.882) 10.495 11.499 ( -2.971 -3.496 -2.753) 5.351 11.499 ( -2.971 -3.496 2.753) 5.351 11.585 ( 2.924 -4.454 -2.107) 5.730 11.585 ( 2.924 -4.454 2.107) 5.730 12.504 ( 4.616 9.102 -3.982) 10.955 12.504 ( 4.616 9.102 3.982) 10.955 15.647 ( -11.058 -4.650 -6.768) 13.774 15.647 ( -11.058 -4.650 6.768) 13.774 23.027 ( 12.983 0.076 -4.858) 13.862 23.027 ( 12.983 0.076 4.858) 13.862 24.004 ( 2.561 -3.564 -1.676) 4.699 24.004 ( 2.561 -3.564 1.676) 4.699 26.543 ( -0.074 -3.040 -3.107) 4.347 26.543 ( -0.074 -3.040 3.107) 4.347 28.340 ( -4.968 3.133 -5.074) 7.762 28.340 ( -4.968 3.133 5.074) 7.762 ======================= Grid point 504 (147/180) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 2.723 -4.053 -18.388) 19.025 2.400 ( 2.723 -4.053 18.388) 19.025 2.939 ( 4.878 -7.488 -26.148) 27.633 2.939 ( 4.878 -7.488 26.148) 27.633 3.788 ( 29.911 -3.753 -17.409) 34.811 3.788 ( 29.911 -3.753 17.409) 34.811 4.967 ( 27.367 -4.258 -1.049) 27.716 4.967 ( 27.367 -4.258 1.049) 27.716 6.862 ( 5.173 5.609 -17.838) 19.402 6.862 ( 5.173 5.609 17.838) 19.402 7.058 ( 4.251 7.602 -12.817) 15.497 7.058 ( 4.251 7.602 12.817) 15.497 7.959 ( -1.998 5.457 -18.272) 19.174 7.959 ( -1.998 5.457 18.272) 19.174 8.160 ( -14.242 -7.443 -13.465) 20.966 8.160 ( -14.242 -7.443 13.465) 20.966 10.168 ( -10.647 6.743 -2.957) 12.945 10.168 ( -10.647 6.743 2.957) 12.945 11.025 ( -0.210 1.789 -8.452) 8.642 11.025 ( -0.210 1.789 8.452) 8.642 11.402 ( -9.428 -1.620 -4.060) 10.393 11.402 ( -9.428 -1.620 4.060) 10.393 11.780 ( 8.554 -8.049 -5.884) 13.137 11.780 ( 8.554 -8.049 5.884) 13.137 12.467 ( 6.391 14.145 -5.829) 16.580 12.467 ( 6.391 14.145 5.829) 16.580 15.489 ( -15.148 -7.859 -0.501) 17.073 15.489 ( -15.148 -7.859 0.501) 17.073 23.262 ( 14.776 2.311 -6.590) 16.343 23.262 ( 14.776 2.311 6.590) 16.343 24.131 ( 6.256 -5.889 -4.195) 9.561 24.131 ( 6.256 -5.889 4.195) 9.561 26.589 ( 0.103 -5.220 -3.241) 6.145 26.589 ( 0.103 -5.220 3.241) 6.145 28.186 ( -7.474 4.764 -3.759) 9.628 28.186 ( -7.474 4.764 3.759) 9.628 ======================= Grid point 506 (148/180) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 10.106 -7.617 -10.477) 16.429 2.580 ( 10.106 -7.617 10.477) 16.429 3.109 ( 4.618 -8.148 -20.960) 22.958 3.109 ( 4.618 -8.148 20.960) 22.958 4.297 ( 26.117 -2.846 -10.946) 28.461 4.297 ( 26.117 -2.846 10.946) 28.461 5.514 ( 30.442 -5.111 -0.982) 30.884 5.514 ( 30.442 -5.111 0.982) 30.884 6.747 ( -4.310 11.910 -11.474) 17.090 6.747 ( -4.310 11.910 11.474) 17.090 7.039 ( -0.106 9.025 -18.320) 20.422 7.039 ( -0.106 9.025 18.320) 20.422 7.826 ( -8.405 3.275 -18.562) 20.637 7.826 ( -8.405 3.275 18.562) 20.637 8.058 ( -4.010 -6.085 -18.218) 19.622 8.058 ( -4.010 -6.085 18.218) 19.622 9.968 ( -7.546 2.402 -5.254) 9.503 9.968 ( -7.546 2.402 5.254) 9.503 11.000 ( 0.012 2.407 -6.711) 7.129 11.000 ( 0.012 2.407 6.711) 7.129 11.255 ( -9.482 -1.710 -5.140) 10.920 11.255 ( -9.482 -1.710 5.140) 10.920 11.993 ( 6.487 -5.741 -8.782) 12.336 11.993 ( 6.487 -5.741 8.782) 12.336 12.418 ( 6.206 12.509 -4.987) 14.827 12.418 ( 6.206 12.509 4.987) 14.827 15.337 ( -13.366 -8.163 -5.990) 16.768 15.337 ( -13.366 -8.163 5.990) 16.768 23.435 ( 9.606 3.351 -4.845) 11.268 23.435 ( 9.606 3.351 4.845) 11.268 24.322 ( 8.373 -5.096 -7.485) 12.333 24.322 ( 8.373 -5.096 7.485) 12.333 26.656 ( 0.430 -5.752 -2.605) 6.329 26.656 ( 0.430 -5.752 2.605) 6.329 28.008 ( -7.129 4.594 -3.315) 9.106 28.008 ( -7.129 4.594 3.315) 9.106 ======================= Grid point 508 (149/180) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 11.061 -7.971 -3.717) 14.132 2.857 ( 11.061 -7.971 3.717) 14.132 3.260 ( 3.694 -6.154 -14.943) 16.577 3.260 ( 3.694 -6.154 14.943) 16.577 4.709 ( 18.798 -3.534 -5.399) 19.875 4.709 ( 18.798 -3.534 5.399) 19.875 6.030 ( 22.462 -4.066 -2.835) 23.002 6.030 ( 22.462 -4.066 2.835) 23.002 6.479 ( -11.452 11.673 -17.081) 23.647 6.479 ( -11.452 11.673 17.081) 23.647 6.911 ( 4.675 13.316 -21.760) 25.936 6.911 ( 4.675 13.316 21.760) 25.936 7.614 ( -15.933 -2.021 -14.253) 21.473 7.614 ( -15.933 -2.021 14.253) 21.473 8.149 ( 5.063 -4.913 -19.439) 20.680 8.149 ( 5.063 -4.913 19.439) 20.680 9.844 ( -6.014 0.048 -8.383) 10.317 9.844 ( -6.014 0.048 8.383) 10.317 10.960 ( -0.554 4.515 -4.619) 6.483 10.960 ( -0.554 4.515 4.619) 6.483 11.156 ( -4.988 -3.284 -6.244) 8.640 11.156 ( -4.988 -3.284 6.244) 8.640 12.089 ( 2.199 1.291 -10.789) 11.087 12.089 ( 2.199 1.291 10.789) 11.087 12.425 ( 5.361 3.808 -4.357) 7.888 12.425 ( 5.361 3.808 4.357) 7.888 15.229 ( -8.739 -5.839 -10.666) 14.975 15.229 ( -8.739 -5.839 10.666) 14.975 23.520 ( 4.866 2.437 -2.728) 6.087 23.520 ( 4.866 2.437 2.728) 6.087 24.494 ( 6.449 -2.770 -8.853) 11.297 24.494 ( 6.449 -2.770 8.853) 11.297 26.722 ( 0.528 -4.363 -1.532) 4.654 26.722 ( 0.528 -4.363 1.532) 4.654 27.862 ( -4.860 3.142 -3.081) 6.556 27.862 ( -4.860 3.142 3.081) 6.556 ======================= Grid point 510 (150/180) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 4.686 -3.465 -2.897) 6.508 3.065 ( 4.686 -3.465 2.897) 6.508 3.357 ( 1.766 -2.374 -10.303) 10.720 3.357 ( 1.766 -2.374 10.303) 10.720 4.982 ( 8.115 -2.843 -3.710) 9.365 4.982 ( 8.115 -2.843 3.710) 9.365 6.131 ( -6.455 6.150 -16.347) 18.620 6.131 ( -6.455 6.150 16.347) 18.620 6.341 ( 3.785 -0.757 -9.265) 10.037 6.341 ( 3.785 -0.757 9.265) 10.037 6.993 ( 17.647 8.410 -13.065) 23.512 6.993 ( 17.647 8.410 13.065) 23.512 7.352 ( -18.347 -4.536 -11.000) 21.868 7.352 ( -18.347 -4.536 11.000) 21.868 8.265 ( 2.811 -2.044 -15.574) 15.957 8.265 ( 2.811 -2.044 15.574) 15.957 9.770 ( -2.681 -0.217 -11.036) 11.359 9.770 ( -2.681 -0.217 11.036) 11.359 10.903 ( -0.752 2.272 -7.635) 8.001 10.903 ( -0.752 2.272 7.635) 8.001 11.144 ( -0.866 -1.611 -9.246) 9.426 11.144 ( -0.866 -1.611 9.246) 9.426 12.081 ( 0.331 1.878 -10.916) 11.081 12.081 ( 0.331 1.878 10.916) 11.081 12.475 ( 2.037 0.037 -6.148) 6.477 12.475 ( 2.037 0.037 6.148) 6.477 15.175 ( -3.003 -2.084 -13.191) 13.689 15.175 ( -3.003 -2.084 13.191) 13.689 23.553 ( 1.474 0.856 -1.628) 2.357 23.553 ( 1.474 0.856 1.628) 2.357 24.588 ( 2.320 -0.816 -8.917) 9.250 24.588 ( 2.320 -0.816 8.917) 9.250 26.763 ( 0.233 -1.602 -0.880) 1.843 26.763 ( 0.233 -1.602 0.880) 1.843 27.783 ( -1.694 1.091 -2.789) 3.441 27.783 ( -1.694 1.091 2.789) 3.441 ======================= Grid point 524 (151/180) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 1.409 -0.000 -17.468) 17.524 2.359 ( 1.409 -0.000 17.468) 17.524 2.851 ( 5.585 -0.000 -28.684) 29.223 2.851 ( 5.585 -0.000 28.684) 29.223 3.744 ( 31.972 -0.000 -20.008) 37.716 3.744 ( 31.972 -0.000 20.008) 37.716 4.917 ( 27.319 -0.000 -1.251) 27.348 4.917 ( 27.319 -0.000 1.251) 27.348 6.908 ( 9.035 -0.000 -21.248) 23.089 6.908 ( 9.035 -0.000 21.248) 23.089 7.183 ( 2.140 -0.000 -27.215) 27.299 7.183 ( 2.140 -0.000 27.215) 27.299 8.011 ( -7.540 0.000 -17.542) 19.094 8.011 ( -7.540 0.000 17.542) 19.094 8.059 ( -8.222 0.000 -18.491) 20.237 8.059 ( -8.222 0.000 18.491) 20.237 10.255 ( -14.797 0.000 -3.974) 15.321 10.255 ( -14.797 0.000 3.974) 15.321 11.052 ( -0.552 0.000 -12.877) 12.889 11.052 ( -0.552 0.000 12.877) 12.889 11.380 ( -8.812 0.000 -2.120) 9.064 11.380 ( -8.812 0.000 2.120) 9.064 11.680 ( 10.315 -0.000 -0.579) 10.332 11.680 ( 10.315 -0.000 0.579) 10.332 12.650 ( 5.937 -0.000 -1.329) 6.084 12.650 ( 5.937 -0.000 1.329) 6.084 15.380 ( -16.029 0.000 -3.333) 16.371 15.380 ( -16.029 0.000 3.333) 16.371 23.293 ( 16.222 -0.000 -7.884) 18.036 23.293 ( 16.222 -0.000 7.884) 18.036 24.058 ( 6.842 -0.000 -0.810) 6.890 24.058 ( 6.842 -0.000 0.810) 6.890 26.529 ( 0.569 -0.000 -2.198) 2.271 26.529 ( 0.569 -0.000 2.198) 2.271 28.241 ( -8.385 0.000 -3.047) 8.921 28.241 ( -8.385 0.000 3.047) 8.921 ======================= Grid point 526 (152/180) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 9.389 -2.588 -11.678) 15.207 2.466 ( 9.389 -2.588 11.678) 15.207 2.984 ( 7.780 -2.947 -25.776) 27.085 2.984 ( 7.780 -2.947 25.776) 27.085 4.251 ( 26.911 -1.155 -13.921) 30.321 4.251 ( 26.911 -1.155 13.921) 30.321 5.426 ( 30.662 -2.325 -0.634) 30.756 5.426 ( 30.662 -2.325 0.634) 30.756 6.926 ( -5.132 4.020 -9.135) 11.223 6.926 ( -5.132 4.020 9.135) 11.223 7.208 ( 3.170 5.290 -18.012) 19.038 7.208 ( 3.170 5.290 18.012) 19.038 7.824 ( -11.674 -3.238 -10.868) 16.275 7.824 ( -11.674 -3.238 10.868) 16.275 8.000 ( -1.821 0.887 -7.425) 7.696 8.000 ( -1.821 0.887 7.425) 7.696 10.004 ( -13.682 0.926 -1.098) 13.757 10.004 ( -13.682 0.926 1.098) 13.757 11.050 ( 2.058 1.644 -10.660) 10.980 11.050 ( 2.058 1.644 10.660) 10.980 11.221 ( -10.462 -1.032 -3.456) 11.066 11.221 ( -10.462 -1.032 3.456) 11.066 11.880 ( 10.430 -3.303 -4.682) 11.900 11.880 ( 10.430 -3.303 4.682) 11.900 12.685 ( 3.706 8.254 -2.826) 9.479 12.685 ( 3.706 8.254 2.826) 9.479 15.158 ( -13.716 -5.789 -1.986) 15.019 15.158 ( -13.716 -5.789 1.986) 15.019 23.498 ( 8.906 1.832 -5.183) 10.466 23.498 ( 8.906 1.832 5.183) 10.466 24.233 ( 11.622 -2.369 -6.656) 13.601 24.233 ( 11.622 -2.369 6.656) 13.601 26.563 ( 1.931 -2.315 -1.456) 3.348 26.563 ( 1.931 -2.315 1.456) 3.348 28.081 ( -9.074 1.770 -1.724) 9.405 28.081 ( -9.074 1.770 1.724) 9.405 ======================= Grid point 528 (153/180) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 13.029 -5.222 -5.299) 15.004 2.706 ( 13.029 -5.222 5.299) 15.004 3.157 ( 8.584 -3.050 -19.847) 21.838 3.157 ( 8.584 -3.050 19.847) 21.838 4.646 ( 18.062 -2.026 -6.740) 19.384 4.646 ( 18.062 -2.026 6.740) 19.384 5.935 ( 24.440 -3.768 -1.895) 24.801 5.935 ( 24.440 -3.768 1.895) 24.801 6.684 ( -14.948 7.180 -10.031) 19.380 6.684 ( -14.948 7.180 10.031) 19.380 7.154 ( -0.557 5.753 -16.858) 17.821 7.154 ( -0.557 5.753 16.858) 17.821 7.634 ( -11.721 4.366 -13.844) 18.657 7.634 ( -11.721 4.366 13.844) 18.657 8.053 ( 6.389 -3.728 -14.052) 15.880 8.053 ( 6.389 -3.728 14.052) 15.880 9.797 ( -12.252 -2.946 -2.700) 12.887 9.797 ( -12.252 -2.946 2.700) 12.887 11.031 ( -6.701 1.121 -4.976) 8.422 11.031 ( -6.701 1.121 4.976) 8.422 11.120 ( 2.246 0.506 -9.335) 9.614 11.120 ( 2.246 0.506 9.335) 9.614 12.074 ( 8.496 -2.184 -7.509) 11.547 12.074 ( 8.496 -2.184 7.509) 11.547 12.607 ( 0.194 10.324 -2.035) 10.525 12.607 ( 0.194 10.324 2.035) 10.525 15.057 ( -7.876 -8.264 -6.880) 13.328 15.057 ( -7.876 -8.264 6.880) 13.328 23.568 ( 2.707 1.724 -1.937) 3.748 23.568 ( 2.707 1.724 1.937) 3.748 24.447 ( 10.202 -1.403 -10.359) 14.607 24.447 ( 10.202 -1.403 10.359) 14.607 26.639 ( 3.397 -2.908 -0.243) 4.479 26.639 ( 3.397 -2.908 0.243) 4.479 27.918 ( -7.566 1.806 -1.984) 8.027 27.918 ( -7.566 1.806 1.984) 8.027 ======================= Grid point 530 (154/180) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 10.486 -4.600 -2.153) 11.651 2.970 ( 10.486 -4.600 2.153) 11.651 3.322 ( 8.017 -0.866 -13.455) 15.687 3.322 ( 8.017 -0.866 13.455) 15.687 4.898 ( 8.410 -3.805 -1.976) 9.440 4.898 ( 8.410 -3.805 1.976) 9.440 6.247 ( 4.846 1.069 -9.466) 10.688 6.247 ( 4.846 1.069 9.466) 10.688 6.340 ( -11.845 3.633 -11.613) 16.982 6.340 ( -11.845 3.633 11.613) 16.982 7.078 ( -9.799 -2.349 -9.333) 13.735 7.078 ( -9.799 -2.349 9.333) 13.735 7.423 ( 2.456 11.202 -5.537) 12.735 7.423 ( 2.456 11.202 5.537) 12.735 8.221 ( 7.926 -1.934 -14.961) 17.041 8.221 ( 7.926 -1.934 14.961) 17.041 9.669 ( -9.399 -7.239 -7.301) 13.930 9.669 ( -9.399 -7.239 7.301) 13.930 10.898 ( -8.334 -1.997 -5.746) 10.318 10.898 ( -8.334 -1.997 5.746) 10.318 11.184 ( 6.857 4.053 -9.226) 12.189 11.184 ( 6.857 4.053 9.226) 12.189 12.181 ( 4.880 4.547 -9.506) 11.612 12.181 ( 4.880 4.547 9.506) 11.612 12.506 ( -1.356 4.071 -2.418) 4.925 12.506 ( -1.356 4.071 2.418) 4.925 15.065 ( -1.665 -7.063 -10.807) 13.017 15.065 ( -1.665 -7.063 10.807) 13.017 23.569 ( -0.873 0.517 -2.182) 2.406 23.569 ( -0.873 0.517 2.182) 2.406 24.584 ( 5.327 0.345 -10.341) 11.638 24.584 ( 5.327 0.345 10.341) 11.638 26.729 ( 4.111 -1.414 -1.248) 4.523 26.729 ( 4.111 -1.414 1.248) 4.523 27.800 ( -4.811 0.463 -2.207) 5.313 27.800 ( -4.811 0.463 2.207) 5.313 ======================= Grid point 532 (155/180) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 2.643 0.578 -3.066) 4.089 3.110 ( 2.643 0.578 3.066) 4.089 3.423 ( 5.138 3.336 -8.850) 10.764 3.423 ( 5.138 3.336 8.850) 10.764 4.987 ( -3.918 -2.586 -3.103) 5.627 4.987 ( -3.918 -2.586 3.103) 5.627 6.049 ( -6.959 -0.459 -15.551) 17.043 6.049 ( -6.959 -0.459 15.551) 17.043 6.338 ( -3.688 -0.676 -9.558) 10.267 6.338 ( -3.688 -0.676 9.558) 10.267 6.834 ( -20.155 -5.710 -6.997) 22.086 6.834 ( -20.155 -5.710 6.997) 22.086 7.514 ( 16.874 8.978 -5.594) 19.915 7.514 ( 16.874 8.978 5.594) 19.915 8.313 ( 2.743 2.359 -16.566) 16.957 8.313 ( 2.743 2.359 16.566) 16.957 9.654 ( -3.616 -9.726 -11.279) 15.326 9.654 ( -3.616 -9.726 11.279) 15.326 10.820 ( -4.876 -4.467 -5.493) 8.596 10.820 ( -4.876 -4.467 5.493) 8.596 11.240 ( 6.204 5.881 -8.355) 11.953 11.240 ( 6.204 5.881 8.355) 11.953 12.148 ( 0.804 7.421 -10.349) 12.760 12.148 ( 0.804 7.421 10.349) 12.760 12.474 ( -1.420 -0.162 -7.024) 7.168 12.474 ( -1.420 -0.162 7.024) 7.168 15.148 ( 3.857 -4.233 -12.570) 13.813 15.148 ( 3.857 -4.233 12.570) 13.813 23.533 ( -3.553 -0.879 -2.734) 4.568 23.533 ( -3.553 -0.879 2.734) 4.568 24.618 ( 0.417 1.814 -9.027) 9.216 24.618 ( 0.417 1.814 9.027) 9.216 26.797 ( 3.851 1.425 -2.361) 4.737 26.797 ( 3.851 1.425 2.361) 4.737 27.753 ( -1.539 -1.594 -2.531) 3.364 27.753 ( -1.539 -1.594 2.531) 3.364 ======================= Grid point 534 (156/180) ======================= q-point: (-0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -5.923 7.450 -2.140) 9.755 3.034 ( -5.923 7.450 2.140) 9.755 3.418 ( 1.952 7.735 -9.519) 12.420 3.418 ( 1.952 7.735 9.519) 12.420 4.786 ( -18.750 2.768 -4.814) 19.555 4.786 ( -18.750 2.768 4.814) 19.555 6.081 ( -13.413 -1.510 -7.575) 15.478 6.081 ( -13.413 -1.510 7.575) 15.478 6.171 ( -5.275 -12.839 -17.498) 22.335 6.171 ( -5.275 -12.839 17.498) 22.335 6.699 ( -1.220 -5.195 -14.095) 15.072 6.699 ( -1.220 -5.195 14.095) 15.072 7.684 ( 10.877 3.941 -8.376) 14.283 7.684 ( 10.877 3.941 8.376) 14.283 8.268 ( -1.731 5.757 -21.577) 22.399 8.268 ( -1.731 5.757 21.577) 22.399 9.745 ( 1.096 -9.159 -11.819) 14.993 9.745 ( 1.096 -9.159 11.819) 14.993 10.842 ( 0.343 -6.113 -7.053) 9.340 10.842 ( 0.343 -6.113 7.053) 9.340 11.264 ( 5.124 6.277 -7.167) 10.818 11.264 ( 5.124 6.277 7.167) 10.818 12.088 ( -0.635 2.887 -10.467) 10.876 12.088 ( -0.635 2.887 10.467) 10.876 12.422 ( -3.995 2.115 -8.242) 9.400 12.422 ( -3.995 2.115 8.242) 9.400 15.282 ( 8.510 -1.161 -11.923) 14.695 15.282 ( 8.510 -1.161 11.923) 14.695 23.469 ( -6.179 -2.046 -3.022) 7.176 23.469 ( -6.179 -2.046 3.022) 7.176 24.563 ( -3.411 3.338 -7.655) 9.021 24.563 ( -3.411 3.338 7.655) 9.021 26.822 ( 3.022 4.473 -3.028) 6.190 26.822 ( 3.022 4.473 3.028) 6.190 27.784 ( 1.694 -3.792 -3.131) 5.201 27.784 ( 1.694 -3.792 3.131) 5.201 ======================= Grid point 536 (157/180) ======================= q-point: (-0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -8.815 11.156 -6.072) 15.460 2.793 ( -8.815 11.156 6.072) 15.460 3.324 ( -1.001 10.677 -14.350) 17.914 3.324 ( -1.001 10.677 14.350) 17.914 4.370 ( -25.310 3.632 -5.520) 26.158 4.370 ( -25.310 3.632 5.520) 26.158 5.620 ( -29.602 3.659 -1.220) 29.852 5.620 ( -29.602 3.659 1.220) 29.852 6.416 ( 3.248 -17.446 -6.699) 18.968 6.416 ( 3.248 -17.446 6.699) 18.968 6.847 ( 7.364 -7.169 -11.764) 15.621 6.847 ( 7.364 -7.169 11.764) 15.621 7.766 ( 0.488 -1.578 -12.898) 13.003 7.766 ( 0.488 -1.578 12.898) 13.003 8.197 ( 3.674 6.024 -22.923) 23.985 8.197 ( 3.674 6.024 22.923) 23.985 9.871 ( 3.012 -7.105 -10.830) 13.298 9.871 ( 3.012 -7.105 10.830) 13.298 10.936 ( 2.519 -4.279 -6.978) 8.564 10.936 ( 2.519 -4.279 6.978) 8.564 11.302 ( 6.828 3.225 -6.442) 9.926 11.302 ( 6.828 3.225 6.442) 9.926 12.060 ( -1.667 -0.355 -10.287) 10.428 12.060 ( -1.667 -0.355 10.287) 10.428 12.293 ( -7.437 3.102 -7.702) 11.146 12.293 ( -7.437 3.102 7.702) 11.146 15.451 ( 11.857 1.569 -9.098) 15.027 15.451 ( 11.857 1.569 9.098) 15.027 23.367 ( -9.179 -2.519 -3.665) 10.200 23.367 ( -9.179 -2.519 3.665) 10.200 24.439 ( -5.408 5.246 -6.343) 9.849 24.439 ( -5.408 5.246 6.343) 9.849 26.800 ( 2.062 6.931 -3.727) 8.136 26.800 ( 2.062 6.931 3.727) 8.136 27.889 ( 4.272 -5.877 -3.776) 8.188 27.889 ( 4.272 -5.877 3.776) 8.188 ======================= Grid point 538 (158/180) ======================= q-point: (-0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -4.293 9.888 -14.275) 17.888 2.553 ( -4.293 9.888 14.275) 17.888 3.150 ( -5.700 10.632 -20.151) 23.486 3.150 ( -5.700 10.632 20.151) 23.486 3.897 ( -24.047 6.004 -10.362) 26.865 3.897 ( -24.047 6.004 10.362) 26.865 5.085 ( -26.857 5.774 -0.761) 27.481 5.085 ( -26.857 5.774 0.761) 27.481 6.625 ( 1.139 -14.014 -9.223) 16.815 6.625 ( 1.139 -14.014 9.223) 16.815 6.951 ( -4.270 -3.310 -8.759) 10.291 6.951 ( -4.270 -3.310 8.759) 10.291 7.806 ( 0.444 -7.347 -18.838) 20.225 7.806 ( 0.444 -7.347 18.838) 20.225 8.286 ( 11.790 3.169 -15.003) 19.342 8.286 ( 11.790 3.169 15.003) 19.342 10.008 ( 4.498 -7.296 -8.539) 12.098 10.008 ( 4.498 -7.296 8.539) 12.098 10.989 ( -0.019 -1.715 -3.339) 3.753 10.989 ( -0.019 -1.715 3.339) 3.753 11.430 ( 10.048 0.597 -6.528) 11.997 11.430 ( 10.048 0.597 6.528) 11.997 11.983 ( -4.401 8.166 -8.648) 12.682 11.983 ( -4.401 8.166 8.648) 12.682 12.171 ( -7.854 -8.203 -8.619) 14.257 12.171 ( -7.854 -8.203 8.619) 14.257 15.632 ( 12.793 3.643 -4.562) 14.062 15.632 ( 12.793 3.643 4.562) 14.062 23.215 ( -11.751 -1.632 -4.455) 12.672 23.215 ( -11.751 -1.632 4.455) 12.672 24.281 ( -4.911 7.049 -4.765) 9.824 24.281 ( -4.911 7.049 4.765) 9.824 26.743 ( 1.203 8.169 -4.480) 9.394 26.743 ( 1.203 8.169 4.480) 9.394 28.047 ( 5.333 -7.455 -4.381) 10.159 28.047 ( 5.333 -7.455 4.381) 10.159 ======================= Grid point 540 (159/180) ======================= q-point: (-0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 5.394 5.275 -22.706) 23.926 2.473 ( 5.394 5.275 22.706) 23.926 2.907 ( -11.858 5.842 -25.913) 29.090 2.907 ( -11.858 5.842 25.913) 29.090 3.463 ( -14.690 12.836 -14.774) 24.471 3.463 ( -14.690 12.836 14.774) 24.471 4.645 ( -16.669 5.655 -1.345) 17.654 4.645 ( -16.669 5.655 1.345) 17.654 6.710 ( -5.132 -2.662 -17.227) 18.171 6.710 ( -5.132 -2.662 17.227) 18.171 6.902 ( -3.378 -9.656 -12.946) 16.500 6.902 ( -3.378 -9.656 12.946) 16.500 7.911 ( 1.127 -7.059 -18.250) 19.600 7.911 ( 1.127 -7.059 18.250) 19.600 8.443 ( 9.646 4.734 -10.623) 15.110 8.443 ( 9.646 4.734 10.623) 15.110 10.205 ( 6.268 -12.196 -6.025) 14.977 10.205 ( 6.268 -12.196 6.025) 14.977 10.985 ( -2.440 -1.794 -5.721) 6.474 10.985 ( -2.440 -1.794 5.721) 6.474 11.573 ( 8.011 2.879 -4.493) 9.626 11.573 ( 8.011 2.879 4.493) 9.626 11.780 ( -4.777 11.572 -7.069) 14.377 11.780 ( -4.777 11.572 7.069) 14.377 12.200 ( -5.157 -15.226 -9.877) 18.867 12.200 ( -5.157 -15.226 9.877) 18.867 15.776 ( 9.341 4.959 -2.372) 10.838 15.776 ( 9.341 4.959 2.372) 10.838 23.030 ( -10.059 0.513 -3.981) 10.830 23.030 ( -10.059 0.513 3.981) 10.830 24.136 ( -2.562 7.489 -3.182) 8.531 24.136 ( -2.562 7.489 3.182) 8.531 26.667 ( 0.499 7.779 -4.746) 9.126 26.667 ( 0.499 7.779 4.746) 9.126 28.214 ( 3.963 -7.785 -5.157) 10.145 28.214 ( 3.963 -7.785 5.157) 10.145 ======================= Grid point 542 (160/180) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.000 -0.058 -24.403) 24.403 2.573 ( -0.000 -0.058 24.403) 24.403 2.688 ( 0.000 1.970 -32.601) 32.660 2.688 ( 0.000 1.970 32.601) 32.660 3.162 ( 0.000 16.014 -18.251) 24.281 3.162 ( 0.000 16.014 18.251) 24.281 4.447 ( 0.000 4.023 -3.158) 5.114 4.447 ( 0.000 4.023 3.158) 5.114 6.641 ( 0.000 0.973 -16.865) 16.893 6.641 ( 0.000 0.973 16.865) 16.893 7.013 ( -0.000 -11.383 -21.873) 24.658 7.013 ( -0.000 -11.383 21.873) 24.658 7.985 ( -0.000 -4.827 -17.406) 18.063 7.985 ( -0.000 -4.827 17.406) 18.063 8.453 ( 0.000 8.215 -14.610) 16.761 8.453 ( 0.000 8.215 14.610) 16.761 10.436 ( -0.000 -15.197 -11.814) 19.249 10.436 ( -0.000 -15.197 11.814) 19.249 10.969 ( -0.000 -0.980 -8.639) 8.695 10.969 ( -0.000 -0.980 8.639) 8.695 11.601 ( 0.000 10.834 -8.653) 13.866 11.601 ( 0.000 10.834 8.653) 13.866 11.617 ( 0.000 3.004 -4.140) 5.115 11.617 ( 0.000 3.004 4.140) 5.115 12.326 ( -0.000 -14.837 -8.078) 16.894 12.326 ( -0.000 -14.837 8.078) 16.894 15.802 ( 0.000 5.670 -6.565) 8.675 15.802 ( 0.000 5.670 6.565) 8.675 22.921 ( 0.000 1.392 -2.858) 3.179 22.921 ( 0.000 1.392 2.858) 3.179 24.038 ( 0.000 6.154 -2.226) 6.545 24.038 ( 0.000 6.154 2.226) 6.545 26.594 ( 0.000 5.883 -4.187) 7.221 26.594 ( 0.000 5.883 4.187) 7.221 28.329 ( -0.000 -6.234 -5.788) 8.506 28.329 ( -0.000 -6.234 5.788) 8.506 ======================= Grid point 548 (161/180) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 13.336 -0.000 -5.760) 14.527 2.645 ( 13.336 -0.000 5.760) 14.527 3.124 ( 10.443 -0.000 -21.858) 24.224 3.124 ( 10.443 -0.000 21.858) 24.224 4.623 ( 17.872 -0.000 -7.140) 19.245 4.623 ( 17.872 -0.000 7.140) 19.245 5.890 ( 25.011 -0.000 -1.475) 25.055 5.890 ( 25.011 -0.000 1.475) 25.055 6.773 ( -15.409 0.000 -3.196) 15.737 6.773 ( -15.409 0.000 3.196) 15.737 7.192 ( -7.890 0.000 -5.065) 9.376 7.192 ( -7.890 0.000 5.065) 9.376 7.716 ( -2.309 0.000 -0.298) 2.328 7.716 ( -2.309 0.000 0.298) 2.328 8.002 ( 4.565 -0.000 -3.758) 5.913 8.002 ( 4.565 -0.000 3.758) 5.913 9.759 ( -15.282 0.000 -0.075) 15.283 9.759 ( -15.282 0.000 0.075) 15.283 11.031 ( -11.072 0.000 -3.560) 11.631 11.031 ( -11.072 0.000 3.560) 11.631 11.142 ( 6.937 -0.000 -8.741) 11.160 11.142 ( 6.937 -0.000 8.741) 11.160 12.042 ( 10.771 -0.000 -3.733) 11.399 12.042 ( 10.771 -0.000 3.733) 11.399 12.746 ( -2.058 0.000 -1.906) 2.805 12.746 ( -2.058 0.000 1.906) 2.805 14.948 ( -6.984 0.000 -1.102) 7.071 14.948 ( -6.984 0.000 1.102) 7.071 23.588 ( 1.525 -0.000 -0.048) 1.526 23.588 ( 1.525 -0.000 0.048) 1.526 24.432 ( 12.023 -0.000 -10.971) 16.276 24.432 ( 12.023 -0.000 10.971) 16.276 26.605 ( 4.530 -0.000 -0.330) 4.542 26.605 ( 4.530 -0.000 0.330) 4.542 27.939 ( -8.653 0.000 -0.194) 8.655 27.939 ( -8.653 0.000 0.194) 8.655 ======================= Grid point 550 (162/180) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 13.471 -2.140 -1.514) 13.724 2.889 ( 13.471 -2.140 1.514) 13.724 3.312 ( 11.397 -0.160 -15.915) 19.576 3.312 ( 11.397 -0.160 15.915) 19.576 4.838 ( 7.014 -1.427 -0.585) 7.182 4.838 ( 7.014 -1.427 0.585) 7.182 6.219 ( 12.712 -1.306 -5.221) 13.804 6.219 ( 12.712 -1.306 5.221) 13.804 6.453 ( -18.844 3.816 -11.803) 22.560 6.453 ( -18.844 3.816 11.803) 22.560 7.000 ( -17.085 -2.842 -5.947) 18.312 7.000 ( -17.085 -2.842 5.947) 18.312 7.665 ( 3.625 7.385 -1.935) 8.451 7.665 ( 3.625 7.385 1.935) 8.451 8.181 ( 12.836 -1.393 -14.040) 19.075 8.181 ( 12.836 -1.393 14.040) 19.075 9.528 ( -14.078 -4.059 -3.257) 15.009 9.528 ( -14.078 -4.059 3.257) 15.009 10.855 ( -10.406 -1.291 -3.369) 11.014 10.855 ( -10.406 -1.291 3.369) 11.014 11.263 ( 8.355 2.226 -7.512) 11.454 11.263 ( 8.355 2.226 7.512) 11.454 12.222 ( 10.139 0.071 -4.242) 10.991 12.222 ( 10.139 0.071 4.242) 10.991 12.637 ( -6.396 5.005 -1.149) 8.203 12.637 ( -6.396 5.005 1.149) 8.203 14.920 ( 0.026 -4.450 -4.549) 6.364 14.920 ( 0.026 -4.450 4.549) 6.364 23.576 ( -2.373 0.154 -3.033) 3.854 23.576 ( -2.373 0.154 3.033) 3.854 24.594 ( 7.129 0.370 -11.838) 13.824 24.594 ( 7.129 0.370 11.838) 13.824 26.705 ( 6.670 -0.591 -2.109) 7.020 26.705 ( 6.670 -0.591 2.109) 7.020 27.806 ( -6.833 0.096 -0.856) 6.888 27.806 ( -6.833 0.096 0.856) 6.888 ======================= Grid point 552 (163/180) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 8.721 -0.888 -2.088) 9.011 3.101 ( 8.721 -0.888 2.088) 9.011 3.489 ( 10.426 2.278 -9.850) 14.523 3.489 ( 10.426 2.278 9.850) 14.523 4.900 ( -2.978 -4.015 -3.557) 6.135 4.900 ( -2.978 -4.015 3.557) 6.135 6.095 ( -17.246 3.157 -14.352) 22.658 6.095 ( -17.246 3.157 14.352) 22.658 6.333 ( -1.717 0.672 -7.010) 7.249 6.333 ( -1.717 0.672 7.010) 7.249 6.721 ( -17.570 -4.683 -5.012) 18.862 6.721 ( -17.570 -4.683 5.012) 18.862 7.709 ( 10.106 7.552 -1.996) 12.773 7.709 ( 10.106 7.552 1.996) 12.773 8.368 ( 8.533 2.472 -18.248) 20.296 8.368 ( 8.533 2.472 18.248) 20.296 9.415 ( -7.962 -10.063 -8.767) 15.541 9.415 ( -7.962 -10.063 8.767) 15.541 10.729 ( -7.218 -3.332 -3.664) 8.754 10.729 ( -7.218 -3.332 3.664) 8.754 11.357 ( 6.843 4.049 -7.631) 11.021 11.357 ( 6.843 4.049 7.631) 11.021 12.328 ( 3.090 5.932 -3.346) 7.478 12.328 ( 3.090 5.932 3.346) 7.478 12.490 ( -2.202 2.766 -4.485) 5.711 12.490 ( -2.202 2.766 4.485) 5.711 15.022 ( 4.782 -5.901 -8.391) 11.318 15.022 ( 4.782 -5.901 8.391) 11.318 23.517 ( -4.732 -0.529 -3.945) 6.184 23.517 ( -4.732 -0.529 3.945) 6.184 24.658 ( 1.873 1.482 -10.225) 10.500 24.658 ( 1.873 1.482 10.225) 10.500 26.824 ( 7.278 0.948 -3.584) 8.168 26.824 ( 7.278 0.948 3.584) 8.168 27.719 ( -4.151 -1.304 -1.628) 4.645 27.719 ( -4.151 -1.304 1.628) 4.645 ======================= Grid point 554 (164/180) ======================= q-point: (-0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 1.013 4.405 -1.833) 4.877 3.167 ( 1.013 4.405 1.833) 4.877 3.584 ( 6.594 6.855 -5.787) 11.133 3.584 ( 6.594 6.855 5.787) 11.133 4.797 ( -15.276 -2.227 -5.476) 16.380 4.797 ( -15.276 -2.227 5.476) 16.380 5.883 ( -8.286 -6.752 -16.570) 19.718 5.883 ( -8.286 -6.752 16.570) 19.718 6.105 ( -21.754 -0.738 -1.933) 21.852 6.105 ( -21.754 -0.738 1.933) 21.852 6.640 ( 2.146 -1.243 -8.051) 8.424 6.640 ( 2.146 -1.243 8.051) 8.424 7.776 ( 4.483 4.084 -3.768) 7.140 7.776 ( 4.483 4.084 3.768) 7.140 8.396 ( 0.953 5.592 -21.611) 22.344 8.396 ( 0.953 5.592 21.611) 22.344 9.481 ( -0.382 -13.036 -11.707) 17.525 9.481 ( -0.382 -13.036 11.707) 17.525 10.706 ( -1.220 -5.691 -6.567) 8.775 10.706 ( -1.220 -5.691 6.567) 8.775 11.400 ( 4.476 5.211 -8.063) 10.593 11.400 ( 4.476 5.211 8.063) 10.593 12.207 ( -5.118 6.093 -8.122) 11.370 12.207 ( -5.118 6.093 8.122) 11.370 12.498 ( 3.851 4.989 -9.616) 11.497 12.498 ( 3.851 4.989 9.616) 11.497 15.195 ( 7.899 -5.820 -10.290) 14.218 15.195 ( 7.899 -5.820 10.290) 14.218 23.433 ( -6.488 -1.196 -3.479) 7.459 23.433 ( -6.488 -1.196 3.479) 7.459 24.632 ( -1.973 2.645 -7.796) 8.466 24.632 ( -1.973 2.645 7.796) 8.466 26.914 ( 6.373 3.722 -4.371) 8.578 26.914 ( 6.373 3.722 4.371) 8.578 27.702 ( -1.062 -3.505 -2.540) 4.457 27.702 ( -1.062 -3.505 2.540) 4.457 ======================= Grid point 556 (165/180) ======================= q-point: (-0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -4.761 10.815 -1.780) 11.950 3.044 ( -4.761 10.815 1.780) 11.950 3.553 ( 0.413 9.566 -8.697) 12.935 3.553 ( 0.413 9.566 8.697) 12.935 4.450 ( -22.895 3.280 -0.955) 23.148 4.450 ( -22.895 3.280 0.955) 23.148 5.652 ( -27.137 -0.980 -3.707) 27.407 5.652 ( -27.137 -0.980 3.707) 27.407 6.034 ( 3.312 -15.281 -17.723) 23.635 6.034 ( 3.312 -15.281 17.723) 23.635 6.749 ( 7.925 -1.820 -9.500) 12.505 6.749 ( 7.925 -1.820 9.500) 12.505 7.751 ( -4.653 -0.047 -7.112) 8.500 7.751 ( -4.653 -0.047 7.112) 8.500 8.324 ( -0.360 5.497 -23.991) 24.615 8.324 ( -0.360 5.497 23.991) 24.615 9.650 ( 2.973 -12.165 -11.399) 16.934 9.650 ( 2.973 -12.165 11.399) 16.934 10.802 ( 3.410 -6.942 -8.472) 11.472 10.802 ( 3.410 -6.942 8.472) 11.472 11.402 ( 3.314 5.012 -8.129) 10.109 11.402 ( 3.314 5.012 8.129) 10.109 12.075 ( -4.855 2.355 -9.252) 10.710 12.075 ( -4.855 2.355 9.252) 10.710 12.457 ( 0.994 10.051 -9.561) 13.908 12.457 ( 0.994 10.051 9.561) 13.908 15.406 ( 9.807 -5.158 -10.029) 14.946 15.406 ( 9.807 -5.158 10.029) 14.946 23.326 ( -7.982 -1.258 -2.642) 8.502 23.326 ( -7.982 -1.258 2.642) 8.502 24.543 ( -3.953 3.970 -5.303) 7.715 24.543 ( -3.953 3.970 5.303) 7.715 26.951 ( 4.715 6.438 -4.658) 9.240 26.951 ( 4.715 6.438 4.658) 9.240 27.759 ( 1.640 -5.724 -3.292) 6.804 27.759 ( 1.640 -5.724 3.292) 6.804 ======================= Grid point 558 (166/180) ======================= q-point: (-0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -4.597 13.280 -7.563) 15.959 2.818 ( -4.597 13.280 7.563) 15.959 3.370 ( -10.683 8.571 -14.003) 19.587 3.370 ( -10.683 8.571 14.003) 19.587 4.055 ( -14.738 8.411 -1.872) 17.072 4.055 ( -14.738 8.411 1.872) 17.072 5.194 ( -24.716 3.675 -2.515) 25.114 5.194 ( -24.716 3.675 2.515) 25.114 6.290 ( 4.555 -16.132 -5.831) 17.748 6.290 ( 4.555 -16.132 5.831) 17.748 6.882 ( 1.775 -2.570 -9.448) 9.951 6.882 ( 1.775 -2.570 9.448) 9.951 7.671 ( -4.984 -4.580 -15.011) 16.466 7.671 ( -4.984 -4.580 15.011) 16.466 8.315 ( 3.845 0.406 -21.896) 22.234 8.315 ( 3.845 0.406 21.896) 22.234 9.828 ( 3.512 -9.608 -11.052) 15.060 9.828 ( 3.512 -9.608 11.052) 15.060 10.921 ( 1.395 -4.826 -3.932) 6.379 10.921 ( 1.395 -4.826 3.932) 6.379 11.440 ( 6.563 1.033 -8.837) 11.056 11.440 ( 6.563 1.033 8.837) 11.056 11.986 ( -5.393 -1.029 -9.217) 10.728 11.986 ( -5.393 -1.029 9.217) 10.728 12.315 ( -1.725 13.873 -8.520) 16.372 12.315 ( -1.725 13.873 8.520) 16.372 15.625 ( 9.928 -4.095 -7.980) 13.379 15.625 ( 9.928 -4.095 7.980) 13.379 23.194 ( -8.775 -0.316 -2.869) 9.238 23.194 ( -8.775 -0.316 2.869) 9.238 24.423 ( -3.911 5.494 -3.346) 7.528 24.423 ( -3.911 5.494 3.346) 7.528 26.931 ( 2.922 8.499 -5.034) 10.301 26.931 ( 2.922 8.499 5.034) 10.301 27.875 ( 3.077 -7.736 -3.950) 9.215 27.875 ( 3.077 -7.736 3.950) 9.215 ======================= Grid point 560 (167/180) ======================= q-point: (-0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 2.587 10.573 -15.918) 19.284 2.656 ( 2.587 10.573 15.918) 19.284 3.037 ( -17.570 6.045 -19.769) 27.131 3.037 ( -17.570 6.045 19.769) 27.131 3.780 ( -3.892 15.058 -7.981) 17.481 3.780 ( -3.892 15.058 7.981) 17.481 4.785 ( -16.139 6.444 -1.189) 17.419 4.785 ( -16.139 6.444 1.189) 17.419 6.523 ( 4.378 -12.664 -4.449) 14.118 6.523 ( 4.378 -12.664 4.449) 14.118 6.815 ( -8.852 0.225 -12.244) 15.111 6.815 ( -8.852 0.225 12.244) 15.111 7.730 ( 1.214 -8.743 -19.794) 21.673 7.730 ( 1.214 -8.743 19.794) 21.673 8.434 ( 6.072 -4.798 -15.461) 17.290 8.434 ( 6.072 -4.798 15.461) 17.290 9.979 ( 2.785 -8.622 -9.252) 12.950 9.979 ( 2.785 -8.622 9.252) 12.950 10.945 ( -1.999 -2.066 -5.702) 6.385 10.945 ( -1.999 -2.066 5.702) 6.385 11.598 ( 10.215 -1.737 -8.661) 13.505 11.598 ( 10.215 -1.737 8.661) 13.505 11.907 ( -7.577 -4.094 -8.473) 12.082 11.907 ( -7.577 -4.094 8.473) 12.082 12.118 ( -2.164 14.107 -6.050) 15.502 12.118 ( -2.164 14.107 6.050) 15.502 15.809 ( 7.021 -2.409 -4.950) 8.922 15.809 ( 7.021 -2.409 4.950) 8.922 23.052 ( -6.916 1.420 -3.439) 7.853 23.052 ( -6.916 1.420 3.439) 7.853 24.300 ( -2.293 6.897 -2.558) 7.705 24.300 ( -2.293 6.897 2.558) 7.705 26.864 ( 1.260 9.588 -5.497) 11.124 26.864 ( 1.260 9.588 5.497) 11.124 28.020 ( 2.607 -9.236 -4.679) 10.676 28.020 ( 2.607 -9.236 4.679) 10.676 ======================= Grid point 562 (168/180) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 8.780 -20.014) 21.855 2.669 ( 0.000 8.780 20.014) 21.855 2.740 ( 0.000 2.416 -26.865) 26.974 2.740 ( 0.000 2.416 26.865) 26.974 3.559 ( 0.000 18.655 -13.526) 23.043 3.559 ( 0.000 18.655 13.526) 23.043 4.568 ( 0.000 6.574 -0.575) 6.599 4.568 ( 0.000 6.574 0.575) 6.599 6.676 ( 0.000 2.251 -16.707) 16.858 6.676 ( 0.000 2.251 16.707) 16.858 6.734 ( -0.000 -13.143 -10.758) 16.985 6.734 ( -0.000 -13.143 10.758) 16.985 7.839 ( -0.000 -8.098 -19.354) 20.980 7.839 ( -0.000 -8.098 19.354) 20.980 8.543 ( -0.000 -2.004 -11.016) 11.196 8.543 ( -0.000 -2.004 11.016) 11.196 10.117 ( -0.000 -11.710 -5.481) 12.930 10.117 ( -0.000 -11.710 5.481) 12.930 10.940 ( -0.000 -1.482 -9.581) 9.695 10.940 ( -0.000 -1.482 9.581) 9.695 11.704 ( 0.000 4.599 -5.305) 7.021 11.704 ( 0.000 4.599 5.305) 7.021 11.844 ( 0.000 4.380 -4.117) 6.011 11.844 ( 0.000 4.380 4.117) 6.011 12.011 ( -0.000 -5.083 -8.679) 10.058 12.011 ( -0.000 -5.083 8.679) 10.058 15.885 ( 0.000 0.580 -3.006) 3.061 15.885 ( 0.000 0.580 3.006) 3.061 22.964 ( 0.000 2.341 -3.268) 4.020 22.964 ( 0.000 2.341 3.268) 4.020 24.200 ( 0.000 7.684 -2.604) 8.114 24.200 ( 0.000 7.684 2.604) 8.114 26.768 ( 0.000 9.357 -5.529) 10.869 26.768 ( 0.000 9.357 5.529) 10.869 28.149 ( -0.000 -9.440 -5.307) 10.829 28.149 ( -0.000 -9.440 5.307) 10.829 ======================= Grid point 572 (169/180) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 11.045 -0.000 -0.759) 11.071 3.089 ( 11.045 -0.000 0.759) 11.071 3.515 ( 12.432 -0.000 -10.763) 16.444 3.515 ( 12.432 -0.000 10.763) 16.444 4.851 ( -4.043 0.000 -5.009) 6.437 4.851 ( -4.043 0.000 5.009) 6.437 6.134 ( -19.058 0.000 -15.815) 24.765 6.134 ( -19.058 0.000 15.815) 24.765 6.355 ( -0.687 0.000 -8.550) 8.577 6.355 ( -0.687 0.000 8.550) 8.577 6.655 ( -16.919 0.000 -3.743) 17.328 6.655 ( -16.919 0.000 3.743) 17.328 7.800 ( 6.401 -0.000 -0.291) 6.407 7.800 ( 6.401 -0.000 0.291) 6.407 8.402 ( 11.699 -0.000 -19.408) 22.662 8.402 ( 11.699 -0.000 19.408) 22.662 9.288 ( -9.976 0.000 -6.453) 11.882 9.288 ( -9.976 0.000 6.453) 11.882 10.689 ( -7.946 0.000 -2.534) 8.340 10.689 ( -7.946 0.000 2.534) 8.340 11.404 ( 6.539 -0.000 -6.700) 9.362 11.404 ( 6.539 -0.000 6.700) 9.362 12.375 ( 4.752 -0.000 -3.917) 6.158 12.375 ( 4.752 -0.000 3.917) 6.158 12.553 ( -3.285 0.000 -0.128) 3.287 12.553 ( -3.285 0.000 0.128) 3.287 14.946 ( 5.349 -0.000 -1.021) 5.446 14.946 ( 5.349 -0.000 1.021) 5.446 23.511 ( -5.082 0.000 -4.409) 6.729 23.511 ( -5.082 0.000 4.409) 6.729 24.675 ( 2.246 -0.000 -10.878) 11.108 24.675 ( 2.246 -0.000 10.878) 11.108 26.835 ( 8.718 -0.000 -4.014) 9.597 26.835 ( 8.718 -0.000 4.014) 9.597 27.703 ( -5.226 0.000 -0.827) 5.291 27.703 ( -5.226 0.000 0.827) 5.291 ======================= Grid point 574 (170/180) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 5.768 1.249 -1.158) 6.015 3.228 ( 5.768 1.249 1.158) 6.015 3.699 ( 10.232 2.977 -5.105) 11.816 3.699 ( 10.232 2.977 5.105) 11.816 4.721 ( -13.063 -2.888 -7.978) 15.576 4.721 ( -13.063 -2.888 7.978) 15.576 5.828 ( -15.887 -0.012 -19.997) 25.540 5.828 ( -15.887 -0.012 19.997) 25.540 6.091 ( -23.646 -0.366 -4.871) 24.145 6.091 ( -23.646 -0.366 4.871) 24.145 6.621 ( 6.048 -0.508 -5.046) 7.893 6.621 ( 6.048 -0.508 5.046) 7.893 7.848 ( -0.100 1.932 -0.885) 2.128 7.848 ( -0.100 1.932 0.885) 2.128 8.496 ( 1.213 2.782 -21.185) 21.401 8.496 ( 1.213 2.782 21.185) 21.401 9.246 ( 0.431 -6.490 -10.530) 12.377 9.246 ( 0.431 -6.490 10.530) 12.377 10.613 ( -2.249 -2.343 -3.395) 4.698 10.613 ( -2.249 -2.343 3.395) 4.698 11.478 ( 3.566 1.757 -7.239) 8.259 11.478 ( 3.566 1.757 7.239) 8.259 12.293 ( -8.597 1.664 -6.105) 10.675 12.293 ( -8.597 1.664 6.105) 10.675 12.621 ( 9.523 4.286 -4.703) 11.453 12.621 ( 9.523 4.286 4.703) 11.453 15.077 ( 7.537 -3.554 -4.948) 9.691 15.077 ( 7.537 -3.554 4.948) 9.691 23.416 ( -6.425 -0.375 -3.842) 7.495 23.416 ( -6.425 -0.375 3.842) 7.495 24.673 ( -1.596 0.989 -8.419) 8.626 24.673 ( -1.596 0.989 8.419) 8.626 26.976 ( 8.700 1.614 -5.208) 10.267 26.976 ( 8.700 1.614 5.208) 10.267 27.642 ( -2.906 -1.577 -1.975) 3.852 27.642 ( -2.906 -1.577 1.975) 3.852 ======================= Grid point 576 (171/180) ======================= q-point: (-0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 0.071 6.169 -0.176) 6.172 3.238 ( 0.071 6.169 0.176) 6.172 3.732 ( -1.518 6.341 -4.954) 8.189 3.732 ( -1.518 6.341 4.954) 8.189 4.491 ( -15.220 0.139 -6.045) 16.377 4.491 ( -15.220 0.139 6.045) 16.377 5.597 ( -19.528 -2.648 -7.948) 21.249 5.597 ( -19.528 -2.648 7.948) 21.249 5.796 ( -8.232 -6.400 -20.027) 22.579 5.796 ( -8.232 -6.400 20.027) 22.579 6.746 ( 8.446 0.874 -8.016) 11.676 6.746 ( 8.446 0.874 8.016) 11.676 7.753 ( -9.071 0.099 -3.478) 9.715 7.753 ( -9.071 0.099 3.478) 9.715 8.431 ( -3.219 3.777 -22.441) 22.983 8.431 ( -3.219 3.777 22.441) 22.983 9.390 ( 4.507 -9.842 -11.410) 15.728 9.390 ( 4.507 -9.842 11.410) 15.728 10.668 ( 3.642 -4.651 -5.986) 8.410 10.668 ( 3.642 -4.651 5.986) 8.410 11.490 ( 1.146 2.648 -8.479) 8.956 11.490 ( 1.146 2.648 8.479) 8.956 12.134 ( -7.323 2.238 -7.691) 10.853 12.134 ( -7.323 2.238 7.691) 10.853 12.691 ( 7.448 9.699 -7.078) 14.130 12.691 ( 7.448 9.699 7.078) 14.130 15.265 ( 8.120 -6.355 -7.711) 12.876 15.265 ( 8.120 -6.355 7.711) 12.876 23.308 ( -6.924 -0.431 -2.054) 7.235 23.308 ( -6.924 -0.431 2.054) 7.235 24.610 ( -3.575 2.058 -5.350) 6.756 24.610 ( -3.575 2.058 5.350) 6.756 27.075 ( 6.879 4.485 -5.557) 9.915 27.075 ( 6.879 4.485 5.557) 9.915 27.647 ( -0.283 -4.109 -2.848) 5.007 27.647 ( -0.283 -4.109 2.848) 5.007 ======================= Grid point 578 (172/180) ======================= q-point: (-0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -5.361 10.774 -3.837) 12.631 3.096 ( -5.361 10.774 3.837) 12.631 3.513 ( -15.517 4.400 -9.410) 18.674 3.513 ( -15.517 4.400 9.410) 18.674 4.265 ( -4.243 10.174 -3.858) 11.679 4.265 ( -4.243 10.174 3.858) 11.679 5.243 ( -21.083 0.999 -5.160) 21.728 5.243 ( -21.083 0.999 5.160) 21.728 5.928 ( 4.393 -15.880 -19.218) 25.314 5.928 ( 4.393 -15.880 19.218) 25.314 6.862 ( 5.333 0.893 -10.144) 11.495 6.862 ( 5.333 0.893 10.144) 11.495 7.590 ( -10.550 -3.238 -9.848) 14.791 7.590 ( -10.550 -3.238 9.848) 14.791 8.340 ( -2.782 2.151 -24.217) 24.471 8.340 ( -2.782 2.151 24.217) 24.471 9.587 ( 4.527 -11.332 -11.644) 16.867 9.587 ( 4.527 -11.332 11.644) 16.867 10.801 ( 4.428 -5.139 -4.575) 8.182 10.801 ( 4.428 -5.139 4.575) 8.182 11.477 ( 1.183 1.778 -10.687) 10.898 11.477 ( 1.183 1.778 10.687) 10.898 12.006 ( -5.410 1.909 -8.048) 9.884 12.006 ( -5.410 1.909 8.048) 9.884 12.647 ( 3.745 15.044 -8.065) 17.476 12.647 ( 3.745 15.044 8.065) 17.476 15.479 ( 7.514 -8.184 -8.517) 13.999 15.479 ( 7.514 -8.184 8.517) 13.999 23.195 ( -6.621 0.298 -1.805) 6.870 23.195 ( -6.621 0.298 1.805) 6.870 24.519 ( -3.606 3.199 -2.424) 5.396 24.519 ( -3.606 3.199 2.424) 5.396 27.105 ( 4.408 6.980 -5.397) 9.863 27.105 ( 4.408 6.980 5.397) 9.863 27.717 ( 1.450 -6.353 -3.142) 7.234 27.717 ( 1.450 -6.353 3.142) 7.234 ======================= Grid point 580 (173/180) ======================= q-point: (-0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -6.303 7.522 -11.905) 15.429 2.875 ( -6.303 7.522 11.905) 15.429 3.197 ( -12.314 8.824 -11.431) 18.978 3.197 ( -12.314 8.824 11.431) 18.978 4.110 ( 1.310 14.804 -1.273) 14.916 4.110 ( 1.310 14.804 1.273) 14.916 4.910 ( -14.074 4.621 -4.151) 15.384 4.910 ( -14.074 4.621 4.151) 15.384 6.201 ( 5.341 -16.485 -11.818) 20.975 6.201 ( 5.341 -16.485 11.818) 20.975 6.849 ( -4.539 2.669 -14.451) 15.381 6.849 ( -4.539 2.669 14.451) 15.381 7.546 ( -1.565 -7.739 -18.588) 20.195 7.546 ( -1.565 -7.739 18.588) 20.195 8.319 ( -0.195 -3.620 -23.606) 23.883 8.319 ( -0.195 -3.620 23.606) 23.883 9.774 ( 2.899 -10.580 -12.280) 16.466 9.774 ( 2.899 -10.580 12.280) 16.466 10.889 ( 0.497 -2.853 -4.429) 5.292 10.889 ( 0.497 -2.853 4.429) 5.292 11.526 ( 4.322 -2.994 -14.574) 15.493 11.526 ( 4.322 -2.994 14.574) 15.493 11.901 ( -4.618 2.258 -7.086) 8.754 11.901 ( -4.618 2.258 7.086) 8.754 12.495 ( 0.792 18.415 -8.127) 20.144 12.495 ( 0.792 18.415 8.127) 20.144 15.680 ( 5.049 -8.515 -7.784) 12.593 15.680 ( 5.049 -8.515 7.784) 12.593 23.087 ( -4.711 1.652 -3.387) 6.033 23.087 ( -4.711 1.652 3.387) 6.033 24.427 ( -2.143 4.466 -1.002) 5.054 24.427 ( -2.143 4.466 1.002) 5.054 27.071 ( 2.045 8.739 -5.454) 10.502 27.071 ( 2.045 8.739 5.454) 10.502 27.824 ( 1.511 -8.152 -3.534) 9.012 27.824 ( 1.511 -8.152 3.534) 9.012 ======================= Grid point 582 (174/180) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 1.640 -20.163) 20.230 2.786 ( 0.000 1.640 20.163) 20.230 2.938 ( 0.000 14.566 -12.315) 19.074 2.938 ( 0.000 14.566 12.315) 19.074 3.952 ( 0.000 16.645 -5.947) 17.675 3.952 ( 0.000 16.645 5.947) 17.675 4.718 ( 0.000 6.581 -2.679) 7.105 4.718 ( 0.000 6.581 2.679) 7.105 6.430 ( -0.000 -14.877 -6.013) 16.046 6.430 ( -0.000 -14.877 6.013) 16.046 6.744 ( 0.000 3.896 -16.566) 17.018 6.744 ( 0.000 3.896 16.566) 17.018 7.643 ( -0.000 -9.265 -20.533) 22.527 7.643 ( -0.000 -9.265 20.533) 22.527 8.397 ( -0.000 -8.374 -19.690) 21.397 8.397 ( -0.000 -8.374 19.690) 21.397 9.907 ( -0.000 -8.995 -11.524) 14.619 9.907 ( -0.000 -8.995 11.524) 14.619 10.907 ( -0.000 -1.510 -8.645) 8.776 10.907 ( -0.000 -1.510 8.645) 8.776 11.656 ( -0.000 -9.210 -16.568) 18.955 11.656 ( -0.000 -9.210 16.568) 18.955 11.808 ( 0.000 4.551 -5.465) 7.112 11.808 ( 0.000 4.551 5.465) 7.112 12.291 ( 0.000 18.481 -7.506) 19.946 12.291 ( 0.000 18.481 7.506) 19.946 15.813 ( -0.000 -6.768 -6.306) 9.250 15.813 ( -0.000 -6.768 6.306) 9.250 23.019 ( 0.000 2.546 -3.792) 4.568 23.019 ( 0.000 2.546 3.792) 4.568 24.352 ( 0.000 5.805 -1.505) 5.997 24.352 ( 0.000 5.805 1.505) 5.997 26.984 ( 0.000 9.734 -5.673) 11.266 26.984 ( 0.000 9.734 5.673) 11.266 27.936 ( -0.000 -9.355 -4.218) 10.262 27.936 ( -0.000 -9.355 4.218) 10.262 ======================= Grid point 596 (175/180) ======================= q-point: ( 0.36 -0.64 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 2.220 -0.000 -0.001) 2.220 3.306 ( 2.220 -0.000 0.001) 2.220 3.809 ( -3.537 0.000 -1.392) 3.801 3.809 ( -3.537 0.000 1.392) 3.801 4.482 ( -9.049 0.000 -8.472) 12.396 4.482 ( -9.049 0.000 8.472) 12.396 5.571 ( -16.882 0.000 -14.003) 21.934 5.571 ( -16.882 0.000 14.003) 21.934 5.725 ( -15.324 0.000 -17.654) 23.377 5.725 ( -15.324 0.000 17.654) 23.377 6.760 ( 9.286 -0.000 -6.570) 11.375 6.760 ( 9.286 -0.000 6.570) 11.375 7.754 ( -11.407 0.000 -2.038) 11.587 7.754 ( -11.407 0.000 2.038) 11.587 8.475 ( -3.861 0.000 -21.366) 21.712 8.475 ( -3.861 0.000 21.366) 21.712 9.273 ( 5.170 -0.000 -11.386) 12.504 9.273 ( 5.170 -0.000 11.386) 12.504 10.614 ( 3.857 -0.000 -1.989) 4.340 10.614 ( 3.857 -0.000 1.989) 4.340 11.519 ( 0.463 -0.000 -8.178) 8.191 11.519 ( 0.463 -0.000 8.178) 8.191 12.159 ( -7.879 0.000 -7.158) 10.645 12.159 ( -7.879 0.000 7.158) 10.645 12.812 ( 9.445 -0.000 -1.048) 9.503 12.812 ( 9.445 -0.000 1.048) 9.503 15.184 ( 7.423 -0.000 -3.993) 8.429 15.184 ( 7.423 -0.000 3.993) 8.429 23.304 ( -6.522 0.000 -1.860) 6.782 23.304 ( -6.522 0.000 1.860) 6.782 24.633 ( -3.551 0.000 -5.529) 6.571 24.633 ( -3.551 0.000 5.529) 6.571 27.129 ( 7.931 -0.000 -6.158) 10.041 27.129 ( 7.931 -0.000 6.158) 10.041 27.597 ( -1.205 0.000 -2.997) 3.230 27.597 ( -1.205 0.000 2.997) 3.230 ======================= Grid point 600 (176/180) ======================= q-point: (-0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -7.802 3.825 -2.061) 8.930 3.261 ( -7.802 3.825 2.061) 8.930 3.574 ( -16.091 1.343 -6.781) 17.513 3.574 ( -16.091 1.343 6.781) 17.513 4.460 ( 5.678 5.857 -4.371) 9.255 4.460 ( 5.678 5.857 4.371) 9.255 5.253 ( -18.552 0.174 -6.682) 19.719 5.253 ( -18.552 0.174 6.682) 19.719 5.644 ( -1.301 -8.001 -25.897) 27.136 5.644 ( -1.301 -8.001 25.897) 27.136 6.898 ( 7.371 1.520 -9.087) 11.799 6.898 ( 7.371 1.520 9.087) 11.799 7.528 ( -14.631 -1.866 -7.239) 16.430 7.528 ( -14.631 -1.866 7.239) 16.430 8.395 ( -4.176 1.994 -23.478) 23.930 8.395 ( -4.176 1.994 23.478) 23.930 9.383 ( 4.102 -5.648 -12.172) 14.032 9.383 ( 4.102 -5.648 12.172) 14.032 10.719 ( 6.422 -1.953 -1.974) 6.996 10.719 ( 6.422 -1.953 1.974) 6.996 11.505 ( -1.198 0.654 -11.091) 11.175 11.505 ( -1.198 0.654 11.091) 11.175 12.041 ( -5.532 0.958 -7.208) 9.136 12.041 ( -5.532 0.958 7.208) 9.136 12.911 ( 6.725 7.134 -4.267) 10.692 12.911 ( 6.725 7.134 4.267) 10.692 15.322 ( 6.013 -4.541 -5.909) 9.575 15.322 ( 6.013 -4.541 5.909) 9.575 23.202 ( -5.524 0.191 -1.127) 5.641 23.202 ( -5.524 0.191 1.127) 5.641 24.565 ( -3.630 1.015 -2.374) 4.454 24.565 ( -3.630 1.015 2.374) 4.454 27.224 ( 5.384 3.276 -6.357) 8.952 27.224 ( 5.384 3.276 6.357) 8.952 27.608 ( 0.496 -3.024 -3.516) 4.663 27.608 ( 0.496 -3.024 3.516) 4.663 ======================= Grid point 602 (177/180) ======================= q-point: (-0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -16.326 2.186 -9.618) 19.074 2.974 ( -16.326 2.186 9.618) 19.074 3.390 ( -3.181 7.105 -6.415) 10.087 3.390 ( -3.181 7.105 6.415) 10.087 4.436 ( 4.362 14.217 -3.383) 15.251 4.436 ( 4.362 14.217 3.383) 15.251 4.985 ( -11.629 2.141 -6.695) 13.588 4.985 ( -11.629 2.141 6.695) 13.588 5.815 ( 3.400 -17.002 -22.921) 28.740 5.815 ( 3.400 -17.002 22.921) 28.740 6.929 ( -0.634 4.217 -15.160) 15.748 6.929 ( -0.634 4.217 15.160) 15.748 7.389 ( -5.682 -6.257 -17.110) 19.084 7.389 ( -5.682 -6.257 17.110) 19.084 8.308 ( -2.794 2.054 -25.896) 26.127 8.308 ( -2.794 2.054 25.896) 26.127 9.529 ( 2.529 -10.244 -12.902) 16.667 9.529 ( 2.529 -10.244 12.902) 16.667 10.833 ( 3.744 -1.895 -3.479) 5.451 10.833 ( 3.744 -1.895 3.479) 5.451 11.487 ( -0.330 -0.787 -15.923) 15.946 11.487 ( -0.330 -0.787 15.923) 15.946 11.954 ( -3.127 1.938 -6.138) 7.156 11.954 ( -3.127 1.938 6.138) 7.156 12.874 ( 2.991 14.154 -6.652) 15.923 12.874 ( 2.991 14.154 6.652) 15.923 15.478 ( 3.697 -8.476 -7.408) 11.849 15.478 ( 3.697 -8.476 7.408) 11.849 23.119 ( -3.474 1.069 -3.505) 5.050 23.119 ( -3.474 1.069 3.505) 5.050 24.498 ( -2.179 2.026 -0.087) 2.977 24.498 ( -2.179 2.026 0.087) 2.977 27.237 ( 2.529 6.005 -5.831) 8.744 27.237 ( 2.529 6.005 5.831) 8.744 27.670 ( 0.931 -5.547 -3.048) 6.398 27.670 ( 0.931 -5.547 3.048) 6.398 ======================= Grid point 604 (178/180) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 0.000 0.712 -14.510) 14.527 2.811 ( 0.000 0.712 14.510) 14.527 3.253 ( 0.000 12.516 -7.233) 14.455 3.253 ( 0.000 12.516 7.233) 14.455 4.305 ( 0.000 15.763 -1.616) 15.846 4.305 ( 0.000 15.763 1.616) 15.846 4.843 ( 0.000 4.424 -5.731) 7.239 4.843 ( 0.000 4.424 5.731) 7.239 6.058 ( -0.000 -18.684 -18.276) 26.136 6.058 ( -0.000 -18.684 18.276) 26.136 6.847 ( 0.000 5.324 -16.736) 17.563 6.847 ( 0.000 5.324 16.736) 17.563 7.442 ( -0.000 -8.636 -20.578) 22.317 7.442 ( -0.000 -8.636 20.578) 22.317 8.279 ( -0.000 -1.354 -26.169) 26.204 8.279 ( -0.000 -1.354 26.169) 26.204 9.676 ( -0.000 -11.616 -13.526) 17.829 9.676 ( -0.000 -11.616 13.526) 17.829 10.877 ( -0.000 -1.134 -6.938) 7.030 10.877 ( -0.000 -1.134 6.938) 7.030 11.516 ( -0.000 -3.779 -18.950) 19.323 11.516 ( -0.000 -3.779 18.950) 19.323 11.896 ( 0.000 3.240 -5.285) 6.199 11.896 ( 0.000 3.240 5.285) 6.199 12.713 ( 0.000 18.371 -7.739) 19.934 12.713 ( 0.000 18.371 7.739) 19.934 15.616 ( -0.000 -10.055 -7.862) 12.764 15.616 ( -0.000 -10.055 7.862) 12.764 23.070 ( 0.000 1.943 -4.269) 4.691 23.070 ( 0.000 1.943 4.269) 4.691 24.451 ( 0.000 3.170 -0.845) 3.281 24.451 ( 0.000 3.170 0.845) 3.281 27.181 ( 0.000 7.776 -5.514) 9.533 27.181 ( 0.000 7.776 5.514) 9.533 27.750 ( -0.000 -7.242 -2.966) 7.826 27.750 ( -0.000 -7.242 2.966) 7.826 ======================= Grid point 622 (179/180) ======================= q-point: ( 0.45 -0.55 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -18.816 0.000 -8.113) 20.490 2.996 ( -18.816 0.000 8.113) 20.490 3.471 ( -0.924 0.000 -5.388) 5.467 3.471 ( -0.924 0.000 5.388) 5.467 4.637 ( 7.475 -0.000 -0.171) 7.477 4.637 ( 7.475 -0.000 0.171) 7.477 5.007 ( -10.598 0.000 -7.516) 12.992 5.007 ( -10.598 0.000 7.516) 12.992 5.582 ( 0.147 -0.000 -28.026) 28.026 5.582 ( 0.147 -0.000 28.026) 28.026 6.992 ( 1.567 -0.000 -14.704) 14.787 6.992 ( 1.567 -0.000 14.704) 14.787 7.305 ( -8.222 0.000 -15.718) 17.739 7.305 ( -8.222 0.000 15.718) 17.739 8.347 ( -2.773 0.000 -25.169) 25.321 8.347 ( -2.773 0.000 25.169) 25.321 9.399 ( 1.884 -0.000 -12.105) 12.250 9.399 ( 1.884 -0.000 12.105) 12.250 10.812 ( 5.002 -0.000 -3.214) 5.945 10.812 ( 5.002 -0.000 3.214) 5.945 11.480 ( -1.678 0.000 -15.924) 16.013 11.480 ( -1.678 0.000 15.924) 16.013 11.976 ( -2.861 0.000 -5.877) 6.537 11.976 ( -2.861 0.000 5.877) 6.537 13.044 ( 3.829 -0.000 -4.096) 5.607 13.044 ( 3.829 -0.000 4.096) 5.607 15.371 ( 3.148 -0.000 -5.533) 6.366 15.371 ( 3.148 -0.000 5.533) 6.366 23.131 ( -3.078 0.000 -3.567) 4.712 23.131 ( -3.078 0.000 3.567) 4.712 24.520 ( -2.222 0.000 -0.094) 2.224 24.520 ( -2.222 0.000 0.094) 2.224 27.312 ( 2.710 -0.000 -7.060) 7.563 27.312 ( 2.710 -0.000 7.060) 7.563 27.601 ( 0.735 -0.000 -4.249) 4.313 27.601 ( 0.735 -0.000 4.249) 4.313 ======================= Grid point 626 (180/180) ======================= q-point: (-0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 0.000 0.164 -11.184) 11.185 2.820 ( 0.000 0.164 11.184) 11.185 3.445 ( 0.000 4.380 -5.335) 6.902 3.445 ( 0.000 4.380 5.335) 6.902 4.634 ( 0.000 11.604 -3.545) 12.134 4.634 ( 0.000 11.604 3.545) 12.134 4.908 ( 0.000 1.487 -7.653) 7.796 4.908 ( 0.000 1.487 7.653) 7.796 5.666 ( -0.000 -13.392 -26.766) 29.929 5.666 ( -0.000 -13.392 26.766) 29.929 6.962 ( 0.000 4.111 -17.229) 17.713 6.962 ( 0.000 4.111 17.229) 17.713 7.280 ( -0.000 -5.154 -20.053) 20.705 7.280 ( -0.000 -5.154 20.053) 20.705 8.309 ( 0.000 2.235 -26.445) 26.539 8.309 ( 0.000 2.235 26.445) 26.539 9.453 ( -0.000 -6.608 -12.469) 14.112 9.453 ( -0.000 -6.608 12.469) 14.112 10.859 ( -0.000 -0.423 -5.659) 5.675 10.859 ( -0.000 -0.423 5.659) 5.675 11.468 ( -0.000 -0.897 -18.917) 18.939 11.468 ( -0.000 -0.897 18.917) 18.939 11.946 ( 0.000 1.165 -5.121) 5.251 11.946 ( 0.000 1.165 5.121) 5.251 13.029 ( 0.000 8.387 -5.453) 10.004 13.029 ( 0.000 8.387 5.453) 10.004 15.428 ( -0.000 -5.333 -6.344) 8.288 15.428 ( -0.000 -5.333 6.344) 8.288 23.100 ( 0.000 0.724 -4.552) 4.609 23.100 ( 0.000 0.724 4.552) 4.609 24.496 ( 0.000 0.956 -1.021) 1.399 24.496 ( 0.000 0.956 1.022) 1.399 27.313 ( 0.000 3.655 -6.633) 7.573 27.313 ( 0.000 3.655 6.633) 7.573 27.628 ( -0.000 -3.407 -3.746) 5.064 27.628 ( -0.000 -3.407 3.746) 5.064 =================== 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 3/34848 10.0 585.411 1266.017 1305.005 0.000 0.000 0.000 3/34848 20.0 606.041 822.470 602.721 0.000 0.000 0.000 3/34848 30.0 344.858 359.988 249.494 0.000 0.000 0.000 3/34848 40.0 205.899 195.849 134.215 0.000 0.000 0.000 3/34848 50.0 136.753 121.899 85.185 0.000 0.000 0.000 3/34848 60.0 97.786 82.931 59.776 0.000 0.000 0.000 3/34848 70.0 73.773 60.245 44.821 0.000 0.000 0.000 3/34848 80.0 58.034 46.040 35.239 0.000 0.000 0.000 3/34848 90.0 47.215 36.620 28.722 0.000 0.000 0.000 3/34848 100.0 39.479 30.076 24.083 0.000 0.000 0.000 3/34848 110.0 33.758 25.350 20.661 0.000 0.000 0.000 3/34848 120.0 29.404 21.824 18.058 0.000 0.000 0.000 3/34848 130.0 26.005 19.118 16.026 0.000 0.000 0.000 3/34848 140.0 23.293 16.991 14.404 0.000 0.000 0.000 3/34848 150.0 21.088 15.284 13.085 0.000 0.000 0.000 3/34848 160.0 19.264 13.888 11.992 0.000 0.000 0.000 3/34848 170.0 17.735 12.728 11.074 0.000 0.000 0.000 3/34848 180.0 16.435 11.752 10.293 0.000 0.000 0.000 3/34848 190.0 15.317 10.918 9.619 0.000 0.000 0.000 3/34848 200.0 14.347 10.200 9.034 0.000 0.000 0.000 3/34848 210.0 13.497 9.574 8.519 0.000 0.000 0.000 3/34848 220.0 12.746 9.024 8.064 0.000 0.000 0.000 3/34848 230.0 12.079 8.537 7.657 0.000 0.000 0.000 3/34848 240.0 11.481 8.102 7.293 0.000 0.000 0.000 3/34848 250.0 10.942 7.713 6.964 0.000 0.000 0.000 3/34848 260.0 10.455 7.361 6.665 0.000 0.000 0.000 3/34848 270.0 10.011 7.042 6.392 0.000 0.000 0.000 3/34848 280.0 9.606 6.751 6.142 0.000 0.000 0.000 3/34848 290.0 9.234 6.485 5.913 0.000 0.000 0.000 3/34848 300.0 8.891 6.240 5.701 0.000 0.000 0.000 3/34848 310.0 8.574 6.014 5.504 0.000 0.000 0.000 3/34848 320.0 8.280 5.805 5.321 0.000 0.000 0.000 3/34848 330.0 8.007 5.610 5.151 0.000 0.000 0.000 3/34848 340.0 7.752 5.430 4.992 0.000 0.000 0.000 3/34848 350.0 7.513 5.261 4.843 0.000 0.000 0.000 3/34848 360.0 7.290 5.102 4.703 0.000 0.000 0.000 3/34848 370.0 7.080 4.954 4.571 0.000 0.000 0.000 3/34848 380.0 6.882 4.814 4.447 0.000 0.000 0.000 3/34848 390.0 6.696 4.683 4.330 0.000 0.000 0.000 3/34848 400.0 6.519 4.559 4.219 0.000 0.000 0.000 3/34848 410.0 6.353 4.441 4.114 0.000 0.000 0.000 3/34848 420.0 6.194 4.330 4.014 0.000 0.000 0.000 3/34848 430.0 6.044 4.224 3.919 0.000 0.000 0.000 3/34848 440.0 5.902 4.124 3.828 0.000 0.000 0.000 3/34848 450.0 5.766 4.028 3.742 0.000 0.000 0.000 3/34848 460.0 5.636 3.937 3.659 0.000 0.000 0.000 3/34848 470.0 5.512 3.850 3.581 0.000 0.000 0.000 3/34848 480.0 5.394 3.767 3.506 0.000 0.000 0.000 3/34848 490.0 5.281 3.688 3.433 0.000 0.000 0.000 3/34848 500.0 5.172 3.612 3.364 0.000 0.000 0.000 3/34848 510.0 5.069 3.539 3.298 0.000 0.000 0.000 3/34848 520.0 4.969 3.469 3.234 0.000 0.000 0.000 3/34848 530.0 4.873 3.402 3.173 0.000 0.000 0.000 3/34848 540.0 4.781 3.338 3.114 0.000 0.000 0.000 3/34848 550.0 4.693 3.276 3.057 0.000 0.000 0.000 3/34848 560.0 4.607 3.216 3.003 0.000 0.000 0.000 3/34848 570.0 4.525 3.159 2.950 0.000 0.000 0.000 3/34848 580.0 4.446 3.103 2.899 0.000 0.000 0.000 3/34848 590.0 4.370 3.050 2.850 0.000 0.000 0.000 3/34848 600.0 4.296 2.998 2.803 0.000 0.000 0.000 3/34848 610.0 4.224 2.948 2.757 0.000 0.000 0.000 3/34848 620.0 4.155 2.900 2.712 0.000 0.000 0.000 3/34848 630.0 4.089 2.853 2.669 0.000 0.000 0.000 3/34848 640.0 4.024 2.808 2.628 0.000 0.000 0.000 3/34848 650.0 3.962 2.765 2.588 0.000 0.000 0.000 3/34848 660.0 3.901 2.722 2.548 0.000 0.000 0.000 3/34848 670.0 3.842 2.681 2.511 0.000 0.000 0.000 3/34848 680.0 3.785 2.641 2.474 0.000 0.000 0.000 3/34848 690.0 3.730 2.603 2.438 0.000 0.000 0.000 3/34848 700.0 3.677 2.565 2.403 0.000 0.000 0.000 3/34848 710.0 3.624 2.529 2.370 0.000 0.000 0.000 3/34848 720.0 3.574 2.494 2.337 0.000 0.000 0.000 3/34848 730.0 3.525 2.459 2.305 0.000 0.000 0.000 3/34848 740.0 3.477 2.426 2.274 0.000 0.000 0.000 3/34848 750.0 3.430 2.393 2.244 0.000 0.000 0.000 3/34848 760.0 3.385 2.362 2.215 0.000 0.000 0.000 3/34848 770.0 3.341 2.331 2.186 0.000 0.000 0.000 3/34848 780.0 3.298 2.301 2.158 0.000 0.000 0.000 3/34848 790.0 3.256 2.272 2.131 0.000 0.000 0.000 3/34848 800.0 3.215 2.243 2.104 0.000 0.000 0.000 3/34848 810.0 3.175 2.215 2.079 0.000 0.000 0.000 3/34848 820.0 3.136 2.188 2.053 0.000 0.000 0.000 3/34848 830.0 3.098 2.162 2.029 0.000 0.000 0.000 3/34848 840.0 3.061 2.136 2.005 0.000 0.000 0.000 3/34848 850.0 3.025 2.111 1.981 0.000 0.000 0.000 3/34848 860.0 2.990 2.086 1.958 0.000 0.000 0.000 3/34848 870.0 2.956 2.062 1.936 0.000 0.000 0.000 3/34848 880.0 2.922 2.039 1.914 0.000 0.000 0.000 3/34848 890.0 2.889 2.016 1.893 0.000 0.000 0.000 3/34848 900.0 2.857 1.993 1.872 0.000 0.000 0.000 3/34848 910.0 2.825 1.971 1.851 0.000 0.000 0.000 3/34848 920.0 2.795 1.950 1.831 0.000 0.000 0.000 3/34848 930.0 2.765 1.929 1.812 0.000 0.000 0.000 3/34848 940.0 2.735 1.908 1.793 0.000 0.000 0.000 3/34848 950.0 2.706 1.888 1.774 0.000 0.000 0.000 3/34848 960.0 2.678 1.868 1.756 0.000 0.000 0.000 3/34848 970.0 2.651 1.849 1.738 0.000 0.000 0.000 3/34848 980.0 2.624 1.830 1.720 0.000 0.000 0.000 3/34848 990.0 2.597 1.812 1.703 0.000 0.000 0.000 3/34848 1000.0 2.571 1.794 1.686 0.000 0.000 0.000 3/34848 Thermal conductivity related properties were written into "kappa-m11118.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:10:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|