----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:38:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.256239915000000 2.256239915000000 4.972232025000000 b 2.256239915000000 -2.256239915000000 4.972232025000000 c 2.256239915000000 2.256239915000000 -4.972232025000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 *5 H 0.90904207219601 0.34321796928531 0.07778321008467 1.008 6 H 0.26543475920064 0.83125886211135 0.92221678991533 1.008 7 H 0.58125886211135 0.15904207219601 0.06582410291071 1.008 8 H 0.65678203071469 0.73456524079936 0.56582410291071 1.008 9 H 0.48456524079936 0.41874113788865 0.57778321008467 1.008 10 H 0.84095792780399 0.90678203071469 0.42221678991533 1.008 11 H 0.09321796928531 0.51543475920064 0.93417589708929 1.008 12 H 0.16874113788865 0.09095792780399 0.43417589708929 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.512479830000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.512479830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.944464050000001 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *5 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 3 6 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 4 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 3 8 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 4 *9 H 0.25597955358698 0.82180365649769 0.08723841569832 1.008 > 5 10 H 0.74402044641302 0.17819634350231 0.08723841569832 1.008 > 6 11 H 0.82180365649769 0.24402044641302 0.33723841569833 1.008 > 7 12 H 0.32180365649769 0.24402044641302 0.41276158430167 1.008 > 8 13 H 0.25597955358698 0.32180365649769 0.16276158430168 1.008 > 9 14 H 0.74402044641302 0.67819634350231 0.16276158430168 1.008 > 10 15 H 0.17819634350231 0.75597955358698 0.33723841569833 1.008 > 11 16 H 0.67819634350231 0.75597955358698 0.41276158430167 1.008 > 12 17 H 0.75597955358698 0.32180365649769 0.58723841569833 1.008 > 5 18 H 0.24402044641302 0.67819634350231 0.58723841569833 1.008 > 6 19 H 0.32180365649769 0.74402044641302 0.83723841569833 1.008 > 7 20 H 0.82180365649769 0.74402044641302 0.91276158430167 1.008 > 8 21 H 0.75597955358698 0.82180365649769 0.66276158430167 1.008 > 9 22 H 0.24402044641302 0.17819634350231 0.66276158430167 1.008 > 10 23 H 0.67819634350231 0.25597955358698 0.83723841569833 1.008 > 11 24 H 0.17819634350231 0.25597955358698 0.91276158430167 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.024959660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.024959660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.944464050000001 Atomic positions (fractional): *1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 2 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 2 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 2 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 2 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 2 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 2 *17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 3 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 3 19 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 3 20 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 3 21 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 4 22 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 4 23 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 4 24 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 4 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 3 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 3 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 3 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 3 29 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 4 30 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 4 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 4 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 4 *33 H 0.12798977679349 0.41090182824884 0.08723841569832 1.008 > 5 34 H 0.62798977679349 0.41090182824884 0.08723841569832 1.008 > 5 35 H 0.12798977679349 0.91090182824884 0.08723841569832 1.008 > 5 36 H 0.62798977679349 0.91090182824884 0.08723841569832 1.008 > 5 37 H 0.37201022320651 0.08909817175116 0.08723841569832 1.008 > 6 38 H 0.87201022320651 0.08909817175116 0.08723841569832 1.008 > 6 39 H 0.37201022320651 0.58909817175116 0.08723841569832 1.008 > 6 40 H 0.87201022320651 0.58909817175116 0.08723841569832 1.008 > 6 41 H 0.41090182824884 0.12201022320651 0.33723841569833 1.008 > 7 42 H 0.91090182824884 0.12201022320651 0.33723841569833 1.008 > 7 43 H 0.41090182824884 0.62201022320651 0.33723841569833 1.008 > 7 44 H 0.91090182824884 0.62201022320651 0.33723841569833 1.008 > 7 45 H 0.16090182824884 0.12201022320651 0.41276158430167 1.008 > 8 46 H 0.66090182824884 0.12201022320651 0.41276158430167 1.008 > 8 47 H 0.16090182824884 0.62201022320651 0.41276158430167 1.008 > 8 48 H 0.66090182824884 0.62201022320651 0.41276158430167 1.008 > 8 49 H 0.12798977679349 0.16090182824884 0.16276158430168 1.008 > 9 50 H 0.62798977679349 0.16090182824884 0.16276158430168 1.008 > 9 51 H 0.12798977679349 0.66090182824884 0.16276158430168 1.008 > 9 52 H 0.62798977679349 0.66090182824884 0.16276158430168 1.008 > 9 53 H 0.37201022320651 0.33909817175116 0.16276158430168 1.008 > 10 54 H 0.87201022320651 0.33909817175116 0.16276158430168 1.008 > 10 55 H 0.37201022320651 0.83909817175116 0.16276158430168 1.008 > 10 56 H 0.87201022320651 0.83909817175116 0.16276158430168 1.008 > 10 57 H 0.08909817175116 0.37798977679349 0.33723841569833 1.008 > 11 58 H 0.58909817175116 0.37798977679349 0.33723841569833 1.008 > 11 59 H 0.08909817175116 0.87798977679349 0.33723841569833 1.008 > 11 60 H 0.58909817175116 0.87798977679349 0.33723841569833 1.008 > 11 61 H 0.33909817175116 0.37798977679349 0.41276158430167 1.008 > 12 62 H 0.83909817175116 0.37798977679349 0.41276158430167 1.008 > 12 63 H 0.33909817175116 0.87798977679349 0.41276158430167 1.008 > 12 64 H 0.83909817175116 0.87798977679349 0.41276158430167 1.008 > 12 65 H 0.37798977679349 0.16090182824884 0.58723841569833 1.008 > 5 66 H 0.87798977679349 0.16090182824884 0.58723841569833 1.008 > 5 67 H 0.37798977679349 0.66090182824884 0.58723841569833 1.008 > 5 68 H 0.87798977679349 0.66090182824884 0.58723841569833 1.008 > 5 69 H 0.12201022320651 0.33909817175116 0.58723841569833 1.008 > 6 70 H 0.62201022320651 0.33909817175116 0.58723841569833 1.008 > 6 71 H 0.12201022320651 0.83909817175116 0.58723841569833 1.008 > 6 72 H 0.62201022320651 0.83909817175116 0.58723841569833 1.008 > 6 73 H 0.16090182824884 0.37201022320651 0.83723841569833 1.008 > 7 74 H 0.66090182824884 0.37201022320651 0.83723841569833 1.008 > 7 75 H 0.16090182824884 0.87201022320651 0.83723841569833 1.008 > 7 76 H 0.66090182824884 0.87201022320651 0.83723841569833 1.008 > 7 77 H 0.41090182824884 0.37201022320651 0.91276158430167 1.008 > 8 78 H 0.91090182824884 0.37201022320651 0.91276158430167 1.008 > 8 79 H 0.41090182824884 0.87201022320651 0.91276158430167 1.008 > 8 80 H 0.91090182824884 0.87201022320651 0.91276158430167 1.008 > 8 81 H 0.37798977679349 0.41090182824884 0.66276158430167 1.008 > 9 82 H 0.87798977679349 0.41090182824884 0.66276158430167 1.008 > 9 83 H 0.37798977679349 0.91090182824884 0.66276158430167 1.008 > 9 84 H 0.87798977679349 0.91090182824884 0.66276158430167 1.008 > 9 85 H 0.12201022320651 0.08909817175116 0.66276158430167 1.008 > 10 86 H 0.62201022320651 0.08909817175116 0.66276158430167 1.008 > 10 87 H 0.12201022320651 0.58909817175116 0.66276158430167 1.008 > 10 88 H 0.62201022320651 0.58909817175116 0.66276158430167 1.008 > 10 89 H 0.33909817175116 0.12798977679349 0.83723841569833 1.008 > 11 90 H 0.83909817175116 0.12798977679349 0.83723841569833 1.008 > 11 91 H 0.33909817175116 0.62798977679349 0.83723841569833 1.008 > 11 92 H 0.83909817175116 0.62798977679349 0.83723841569833 1.008 > 11 93 H 0.08909817175116 0.12798977679349 0.91276158430167 1.008 > 12 94 H 0.58909817175116 0.12798977679349 0.91276158430167 1.008 > 12 95 H 0.08909817175116 0.62798977679349 0.91276158430167 1.008 > 12 96 H 0.58909817175116 0.62798977679349 0.91276158430167 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5456565 0.0000002 0.0000000 -0.0000002 4.5456565 0.0000000 0.0000000 0.0000000 4.8347706 -------------------------- Born effective charges -------------------------- 1 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 2 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 3 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 4 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 5 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 6 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 7 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 8 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 9 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 10 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 11 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 12 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 ---------------------------------------------------------------------------- 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: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.564 Solver_block: 200 / 240 - Time: 0.553 Solver_block: 240 / 240 - Time: 0.287 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.419 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:38:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:14]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.256239915000000 2.256239915000000 4.972232025000000 b 2.256239915000000 -2.256239915000000 4.972232025000000 c 2.256239915000000 2.256239915000000 -4.972232025000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 5 H 0.90904207219601 0.34321796928531 0.07778321008467 1.008 6 H 0.26543475920064 0.83125886211135 0.92221678991533 1.008 7 H 0.58125886211135 0.15904207219601 0.06582410291071 1.008 8 H 0.65678203071469 0.73456524079936 0.56582410291071 1.008 9 H 0.48456524079936 0.41874113788865 0.57778321008467 1.008 10 H 0.84095792780399 0.90678203071469 0.42221678991533 1.008 11 H 0.09321796928531 0.51543475920064 0.93417589708929 1.008 12 H 0.16874113788865 0.09095792780399 0.43417589708929 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.024959660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.024959660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.944464050000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 17 20 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 17 21 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 21 22 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 21 23 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 21 24 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 21 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 17 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 17 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 17 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 17 29 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 21 30 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 21 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 21 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 21 33 H 0.12798977679349 0.41090182824884 0.08723841569832 1.008 > 33 34 H 0.62798977679349 0.41090182824884 0.08723841569832 1.008 > 33 35 H 0.12798977679349 0.91090182824884 0.08723841569832 1.008 > 33 36 H 0.62798977679349 0.91090182824884 0.08723841569832 1.008 > 33 37 H 0.37201022320651 0.08909817175116 0.08723841569832 1.008 > 37 38 H 0.87201022320651 0.08909817175116 0.08723841569832 1.008 > 37 39 H 0.37201022320651 0.58909817175116 0.08723841569832 1.008 > 37 40 H 0.87201022320651 0.58909817175116 0.08723841569832 1.008 > 37 41 H 0.41090182824884 0.12201022320651 0.33723841569833 1.008 > 41 42 H 0.91090182824884 0.12201022320651 0.33723841569833 1.008 > 41 43 H 0.41090182824884 0.62201022320651 0.33723841569833 1.008 > 41 44 H 0.91090182824884 0.62201022320651 0.33723841569833 1.008 > 41 45 H 0.16090182824884 0.12201022320651 0.41276158430167 1.008 > 45 46 H 0.66090182824884 0.12201022320651 0.41276158430167 1.008 > 45 47 H 0.16090182824884 0.62201022320651 0.41276158430167 1.008 > 45 48 H 0.66090182824884 0.62201022320651 0.41276158430167 1.008 > 45 49 H 0.12798977679349 0.16090182824884 0.16276158430168 1.008 > 49 50 H 0.62798977679349 0.16090182824884 0.16276158430168 1.008 > 49 51 H 0.12798977679349 0.66090182824884 0.16276158430168 1.008 > 49 52 H 0.62798977679349 0.66090182824884 0.16276158430168 1.008 > 49 53 H 0.37201022320651 0.33909817175116 0.16276158430168 1.008 > 53 54 H 0.87201022320651 0.33909817175116 0.16276158430168 1.008 > 53 55 H 0.37201022320651 0.83909817175116 0.16276158430168 1.008 > 53 56 H 0.87201022320651 0.83909817175116 0.16276158430168 1.008 > 53 57 H 0.08909817175116 0.37798977679349 0.33723841569833 1.008 > 57 58 H 0.58909817175116 0.37798977679349 0.33723841569833 1.008 > 57 59 H 0.08909817175116 0.87798977679349 0.33723841569833 1.008 > 57 60 H 0.58909817175116 0.87798977679349 0.33723841569833 1.008 > 57 61 H 0.33909817175116 0.37798977679349 0.41276158430167 1.008 > 61 62 H 0.83909817175116 0.37798977679349 0.41276158430167 1.008 > 61 63 H 0.33909817175116 0.87798977679349 0.41276158430167 1.008 > 61 64 H 0.83909817175116 0.87798977679349 0.41276158430167 1.008 > 61 65 H 0.37798977679349 0.16090182824884 0.58723841569833 1.008 > 33 66 H 0.87798977679349 0.16090182824884 0.58723841569833 1.008 > 33 67 H 0.37798977679349 0.66090182824884 0.58723841569833 1.008 > 33 68 H 0.87798977679349 0.66090182824884 0.58723841569833 1.008 > 33 69 H 0.12201022320651 0.33909817175116 0.58723841569833 1.008 > 37 70 H 0.62201022320651 0.33909817175116 0.58723841569833 1.008 > 37 71 H 0.12201022320651 0.83909817175116 0.58723841569833 1.008 > 37 72 H 0.62201022320651 0.83909817175116 0.58723841569833 1.008 > 37 73 H 0.16090182824884 0.37201022320651 0.83723841569833 1.008 > 41 74 H 0.66090182824884 0.37201022320651 0.83723841569833 1.008 > 41 75 H 0.16090182824884 0.87201022320651 0.83723841569833 1.008 > 41 76 H 0.66090182824884 0.87201022320651 0.83723841569833 1.008 > 41 77 H 0.41090182824884 0.37201022320651 0.91276158430167 1.008 > 45 78 H 0.91090182824884 0.37201022320651 0.91276158430167 1.008 > 45 79 H 0.41090182824884 0.87201022320651 0.91276158430167 1.008 > 45 80 H 0.91090182824884 0.87201022320651 0.91276158430167 1.008 > 45 81 H 0.37798977679349 0.41090182824884 0.66276158430167 1.008 > 49 82 H 0.87798977679349 0.41090182824884 0.66276158430167 1.008 > 49 83 H 0.37798977679349 0.91090182824884 0.66276158430167 1.008 > 49 84 H 0.87798977679349 0.91090182824884 0.66276158430167 1.008 > 49 85 H 0.12201022320651 0.08909817175116 0.66276158430167 1.008 > 53 86 H 0.62201022320651 0.08909817175116 0.66276158430167 1.008 > 53 87 H 0.12201022320651 0.58909817175116 0.66276158430167 1.008 > 53 88 H 0.62201022320651 0.58909817175116 0.66276158430167 1.008 > 53 89 H 0.33909817175116 0.12798977679349 0.83723841569833 1.008 > 57 90 H 0.83909817175116 0.12798977679349 0.83723841569833 1.008 > 57 91 H 0.33909817175116 0.62798977679349 0.83723841569833 1.008 > 57 92 H 0.83909817175116 0.62798977679349 0.83723841569833 1.008 > 57 93 H 0.08909817175116 0.12798977679349 0.91276158430167 1.008 > 61 94 H 0.58909817175116 0.12798977679349 0.91276158430167 1.008 > 61 95 H 0.08909817175116 0.62798977679349 0.91276158430167 1.008 > 61 96 H 0.58909817175116 0.62798977679349 0.91276158430167 1.008 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5456565 0.0000002 0.0000000 -0.0000002 4.5456565 0.0000000 0.0000000 0.0000000 4.8347706 -------------------------- Born effective charges -------------------------- 1 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 2 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 3 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 4 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 5 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 6 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 7 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 8 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 9 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 10 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 11 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 12 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 2026-01-09 04:38:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:38:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.256239915000000 2.256239915000000 4.972232025000000 b 2.256239915000000 -2.256239915000000 4.972232025000000 c 2.256239915000000 2.256239915000000 -4.972232025000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 2 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 3 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 4 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 5 H 0.90904207219601 0.34321796928531 0.07778321008467 1.008 6 H 0.26543475920064 0.83125886211135 0.92221678991533 1.008 7 H 0.58125886211135 0.15904207219601 0.06582410291071 1.008 8 H 0.65678203071469 0.73456524079936 0.56582410291071 1.008 9 H 0.48456524079936 0.41874113788865 0.57778321008467 1.008 10 H 0.84095792780399 0.90678203071469 0.42221678991533 1.008 11 H 0.09321796928531 0.51543475920064 0.93417589708929 1.008 12 H 0.16874113788865 0.09095792780399 0.43417589708929 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.024959660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.024959660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.944464050000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.75000000000000 0.50000000000000 0.25000000000000 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 5 9 Li 0.00000000000000 0.25000000000000 0.75000000000000 6.941 > 1 10 Li 0.50000000000000 0.25000000000000 0.75000000000000 6.941 > 1 11 Li 0.00000000000000 0.75000000000000 0.75000000000000 6.941 > 1 12 Li 0.50000000000000 0.75000000000000 0.75000000000000 6.941 > 1 13 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 14 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 17 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 17 18 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 17 19 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 17 20 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 17 21 Al 0.00000000000000 0.25000000000000 0.25000000000000 26.982 > 21 22 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 21 23 Al 0.00000000000000 0.75000000000000 0.25000000000000 26.982 > 21 24 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 21 25 Al 0.25000000000000 0.25000000000000 0.50000000000000 26.982 > 17 26 Al 0.75000000000000 0.25000000000000 0.50000000000000 26.982 > 17 27 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 > 17 28 Al 0.75000000000000 0.75000000000000 0.50000000000000 26.982 > 17 29 Al 0.25000000000000 0.00000000000000 0.75000000000000 26.982 > 21 30 Al 0.75000000000000 0.00000000000000 0.75000000000000 26.982 > 21 31 Al 0.25000000000000 0.50000000000000 0.75000000000000 26.982 > 21 32 Al 0.75000000000000 0.50000000000000 0.75000000000000 26.982 > 21 33 H 0.12798977679349 0.41090182824884 0.08723841569832 1.008 > 33 34 H 0.62798977679349 0.41090182824884 0.08723841569832 1.008 > 33 35 H 0.12798977679349 0.91090182824884 0.08723841569832 1.008 > 33 36 H 0.62798977679349 0.91090182824884 0.08723841569832 1.008 > 33 37 H 0.37201022320651 0.08909817175116 0.08723841569832 1.008 > 37 38 H 0.87201022320651 0.08909817175116 0.08723841569832 1.008 > 37 39 H 0.37201022320651 0.58909817175116 0.08723841569832 1.008 > 37 40 H 0.87201022320651 0.58909817175116 0.08723841569832 1.008 > 37 41 H 0.41090182824884 0.12201022320651 0.33723841569833 1.008 > 41 42 H 0.91090182824884 0.12201022320651 0.33723841569833 1.008 > 41 43 H 0.41090182824884 0.62201022320651 0.33723841569833 1.008 > 41 44 H 0.91090182824884 0.62201022320651 0.33723841569833 1.008 > 41 45 H 0.16090182824884 0.12201022320651 0.41276158430167 1.008 > 45 46 H 0.66090182824884 0.12201022320651 0.41276158430167 1.008 > 45 47 H 0.16090182824884 0.62201022320651 0.41276158430167 1.008 > 45 48 H 0.66090182824884 0.62201022320651 0.41276158430167 1.008 > 45 49 H 0.12798977679349 0.16090182824884 0.16276158430168 1.008 > 49 50 H 0.62798977679349 0.16090182824884 0.16276158430168 1.008 > 49 51 H 0.12798977679349 0.66090182824884 0.16276158430168 1.008 > 49 52 H 0.62798977679349 0.66090182824884 0.16276158430168 1.008 > 49 53 H 0.37201022320651 0.33909817175116 0.16276158430168 1.008 > 53 54 H 0.87201022320651 0.33909817175116 0.16276158430168 1.008 > 53 55 H 0.37201022320651 0.83909817175116 0.16276158430168 1.008 > 53 56 H 0.87201022320651 0.83909817175116 0.16276158430168 1.008 > 53 57 H 0.08909817175116 0.37798977679349 0.33723841569833 1.008 > 57 58 H 0.58909817175116 0.37798977679349 0.33723841569833 1.008 > 57 59 H 0.08909817175116 0.87798977679349 0.33723841569833 1.008 > 57 60 H 0.58909817175116 0.87798977679349 0.33723841569833 1.008 > 57 61 H 0.33909817175116 0.37798977679349 0.41276158430167 1.008 > 61 62 H 0.83909817175116 0.37798977679349 0.41276158430167 1.008 > 61 63 H 0.33909817175116 0.87798977679349 0.41276158430167 1.008 > 61 64 H 0.83909817175116 0.87798977679349 0.41276158430167 1.008 > 61 65 H 0.37798977679349 0.16090182824884 0.58723841569833 1.008 > 33 66 H 0.87798977679349 0.16090182824884 0.58723841569833 1.008 > 33 67 H 0.37798977679349 0.66090182824884 0.58723841569833 1.008 > 33 68 H 0.87798977679349 0.66090182824884 0.58723841569833 1.008 > 33 69 H 0.12201022320651 0.33909817175116 0.58723841569833 1.008 > 37 70 H 0.62201022320651 0.33909817175116 0.58723841569833 1.008 > 37 71 H 0.12201022320651 0.83909817175116 0.58723841569833 1.008 > 37 72 H 0.62201022320651 0.83909817175116 0.58723841569833 1.008 > 37 73 H 0.16090182824884 0.37201022320651 0.83723841569833 1.008 > 41 74 H 0.66090182824884 0.37201022320651 0.83723841569833 1.008 > 41 75 H 0.16090182824884 0.87201022320651 0.83723841569833 1.008 > 41 76 H 0.66090182824884 0.87201022320651 0.83723841569833 1.008 > 41 77 H 0.41090182824884 0.37201022320651 0.91276158430167 1.008 > 45 78 H 0.91090182824884 0.37201022320651 0.91276158430167 1.008 > 45 79 H 0.41090182824884 0.87201022320651 0.91276158430167 1.008 > 45 80 H 0.91090182824884 0.87201022320651 0.91276158430167 1.008 > 45 81 H 0.37798977679349 0.41090182824884 0.66276158430167 1.008 > 49 82 H 0.87798977679349 0.41090182824884 0.66276158430167 1.008 > 49 83 H 0.37798977679349 0.91090182824884 0.66276158430167 1.008 > 49 84 H 0.87798977679349 0.91090182824884 0.66276158430167 1.008 > 49 85 H 0.12201022320651 0.08909817175116 0.66276158430167 1.008 > 53 86 H 0.62201022320651 0.08909817175116 0.66276158430167 1.008 > 53 87 H 0.12201022320651 0.58909817175116 0.66276158430167 1.008 > 53 88 H 0.62201022320651 0.58909817175116 0.66276158430167 1.008 > 53 89 H 0.33909817175116 0.12798977679349 0.83723841569833 1.008 > 57 90 H 0.83909817175116 0.12798977679349 0.83723841569833 1.008 > 57 91 H 0.33909817175116 0.62798977679349 0.83723841569833 1.008 > 57 92 H 0.83909817175116 0.62798977679349 0.83723841569833 1.008 > 57 93 H 0.08909817175116 0.12798977679349 0.91276158430167 1.008 > 61 94 H 0.58909817175116 0.12798977679349 0.91276158430167 1.008 > 61 95 H 0.08909817175116 0.62798977679349 0.91276158430167 1.008 > 61 96 H 0.58909817175116 0.62798977679349 0.91276158430167 1.008 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5456565 0.0000002 0.0000000 -0.0000002 4.5456565 0.0000000 0.0000000 0.0000000 4.8347706 -------------------------- Born effective charges -------------------------- 1 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 2 Li 1.2034358 0.0202326 0.0000000 -0.0202326 1.2034358 0.0000000 0.0000000 0.0000000 1.1562580 3 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 4 Al 2.0242900 -0.0290332 0.0000000 0.0290332 2.0242900 0.0000000 0.0000000 0.0000000 2.4969645 5 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 6 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 7 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 8 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 9 H -0.8168688 0.0607002 0.0324157 0.0562999 -0.7969941 -0.1461066 0.0798331 -0.0789078 -0.9133056 10 H -0.8168688 0.0607002 -0.0324157 0.0562999 -0.7969941 0.1461066 -0.0798331 0.0789078 -0.9133056 11 H -0.7969941 -0.0562999 -0.1461066 -0.0607002 -0.8168688 -0.0324157 -0.0789078 -0.0798331 -0.9133056 12 H -0.7969941 -0.0562999 0.1461066 -0.0607002 -0.8168688 0.0324157 0.0789078 0.0798331 -0.9133056 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 11 110 ] Grid generation matrix: [ 0 11 11 ] [ 11 0 11 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.89, Number of G-points: 297, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 186 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 4.094 ( 0.000 -0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.387 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 -0.000 0.000) 0.000 8.476 ( 0.000 -0.000 0.000) 0.000 8.476 ( 0.000 -0.000 -0.000) 0.000 11.350 ( 0.000 0.000 -0.000) 0.000 11.350 ( 0.000 0.000 -0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 16.756 ( 0.000 0.000 0.000) 0.000 16.969 ( 0.000 0.000 0.000) 0.000 21.342 ( 0.000 0.000 -0.000) 0.000 21.342 ( 0.000 -0.000 0.000) 0.000 22.227 ( 0.000 0.000 0.000) 0.000 22.227 ( 0.000 0.000 -0.000) 0.000 22.903 ( 0.000 0.000 -0.000) 0.000 23.517 ( 0.000 0.000 -0.000) 0.000 26.133 ( 0.000 0.000 -0.000) 0.000 26.133 ( 0.000 0.000 -0.000) 0.000 26.836 ( -0.000 0.000 -0.000) 0.000 27.463 ( -0.000 0.000 0.000) 0.000 28.379 ( 0.000 0.000 0.000) 0.000 47.175 ( 0.000 -0.000 0.000) 0.000 48.049 ( 0.000 0.000 0.000) 0.000 48.049 ( 0.000 0.000 0.000) 0.000 49.366 ( 0.000 -0.000 0.000) 0.000 49.576 ( 0.000 -0.000 -0.000) 0.000 49.576 ( 0.000 0.000 0.000) 0.000 50.516 ( 0.000 0.000 0.000) 0.000 51.302 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 24.314 24.902 -0.000) 34.803 1.203 ( 12.978 45.286 -0.000) 47.109 2.047 ( 57.472 38.288 0.000) 69.058 4.158 ( 3.735 3.586 0.000) 5.178 4.682 ( 0.147 -0.418 0.000) 0.443 5.401 ( -0.379 -0.640 0.000) 0.744 5.685 ( 12.133 12.924 -0.000) 17.727 8.217 ( -7.249 -5.768 -0.000) 9.264 8.262 ( -11.261 -8.884 -0.000) 14.344 8.469 ( 0.955 -1.590 0.000) 1.855 8.573 ( 8.087 0.018 0.000) 8.087 8.957 ( -8.266 -6.432 -0.000) 10.474 11.662 ( 5.040 24.872 -0.000) 25.378 12.013 ( 3.614 4.111 -0.000) 5.473 15.586 ( 20.782 10.383 0.000) 23.232 16.700 ( -2.021 -3.331 0.000) 3.896 17.172 ( 9.922 9.757 0.000) 13.915 21.313 ( -10.105 8.879 -0.000) 13.452 22.282 ( 0.726 4.063 -0.000) 4.127 22.305 ( 4.973 1.738 0.000) 5.268 22.705 ( -10.364 -9.963 -0.000) 14.376 23.606 ( 5.645 3.817 0.000) 6.815 25.624 ( 13.263 -3.784 0.000) 13.792 26.015 ( -6.113 -4.976 -0.000) 7.882 26.082 ( -1.638 -2.682 0.000) 3.143 26.880 ( 1.878 1.877 0.000) 2.656 27.450 ( -1.940 0.626 -0.000) 2.038 28.355 ( -1.391 -1.266 -0.000) 1.881 47.293 ( 5.811 5.807 0.000) 8.215 48.073 ( -0.818 3.245 -0.000) 3.346 49.284 ( 1.748 -9.573 0.000) 9.732 49.453 ( -2.772 -8.454 0.000) 8.897 49.537 ( -4.782 1.126 -0.000) 4.913 50.543 ( 1.537 1.408 0.000) 2.084 50.744 ( -2.648 4.039 -0.000) 4.830 51.389 ( 3.808 3.773 0.000) 5.360 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 20.889 22.656 -0.000) 30.816 2.324 ( 12.197 40.357 -0.000) 42.160 3.702 ( 39.315 22.746 0.000) 45.421 4.412 ( 8.955 8.373 0.000) 12.260 4.752 ( 6.795 4.383 0.000) 8.086 5.358 ( -1.219 -2.067 0.000) 2.399 6.272 ( 11.572 16.354 -0.000) 20.034 7.756 ( -13.935 -11.898 -0.000) 18.323 7.849 ( -11.464 -12.599 0.000) 17.034 8.457 ( 1.499 -1.891 0.000) 2.413 8.538 ( -2.446 -18.685 0.000) 18.844 8.758 ( -1.342 7.484 -0.000) 7.604 12.292 ( 9.650 11.948 -0.000) 15.358 12.471 ( 6.974 40.384 -0.000) 40.982 16.461 ( 35.366 18.053 0.000) 39.707 16.549 ( -0.815 -8.613 0.000) 8.652 17.726 ( 17.537 16.505 0.000) 24.082 21.350 ( -9.652 13.964 -0.000) 16.975 22.159 ( -17.318 -12.254 -0.000) 21.215 22.356 ( -4.420 4.657 -0.000) 6.420 22.459 ( 8.856 -0.711 0.000) 8.884 23.858 ( 6.749 7.471 -0.000) 10.068 25.700 ( -13.568 -6.836 -0.000) 15.193 25.877 ( 21.282 -6.077 0.000) 22.132 25.997 ( 1.620 -5.154 0.000) 5.403 26.968 ( 1.818 2.950 -0.000) 3.465 27.413 ( -3.294 1.197 -0.000) 3.505 28.264 ( -3.563 -2.774 -0.000) 4.515 47.627 ( 10.631 10.341 0.000) 14.831 48.145 ( -2.394 6.960 -0.000) 7.360 49.077 ( 4.216 -15.989 0.000) 16.536 49.175 ( -3.181 -12.071 0.000) 12.483 49.446 ( -7.709 2.770 -0.000) 8.192 50.622 ( 2.411 0.747 0.000) 2.524 50.776 ( -3.713 6.516 -0.000) 7.500 51.554 ( 3.789 3.866 -0.000) 5.413 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 15.059 18.147 -0.000) 23.582 3.302 ( 10.497 33.429 -0.000) 35.038 4.325 ( 5.951 2.246 0.000) 6.361 4.789 ( 9.844 8.199 0.000) 12.812 5.212 ( 18.935 2.658 0.000) 19.121 5.270 ( -1.837 -3.467 0.000) 3.924 6.403 ( -17.272 -4.615 -0.000) 17.878 7.257 ( -15.594 -17.369 0.000) 23.342 7.601 ( 9.147 8.082 0.000) 12.206 8.191 ( -2.574 -6.076 0.000) 6.599 8.463 ( 1.709 -0.583 0.000) 1.805 8.859 ( 3.285 -0.491 0.000) 3.321 12.949 ( 20.663 23.844 -0.000) 31.552 13.437 ( 2.442 43.142 -0.000) 43.211 16.324 ( 2.452 -15.061 0.000) 15.259 17.611 ( 37.575 18.309 0.000) 41.798 18.476 ( 21.385 16.887 0.000) 27.249 21.204 ( -4.657 -16.926 0.000) 17.555 21.913 ( -16.733 28.090 -0.000) 32.696 22.227 ( -15.089 1.333 -0.000) 15.147 22.614 ( 13.621 -6.830 0.000) 15.237 24.165 ( 6.328 10.278 -0.000) 12.070 25.171 ( -21.433 -11.264 -0.000) 24.213 25.929 ( 3.047 -7.333 0.000) 7.941 26.229 ( 25.325 -5.686 0.000) 25.955 27.076 ( 1.053 5.057 -0.000) 5.166 27.380 ( -3.131 2.428 -0.000) 3.962 28.108 ( -5.437 -3.393 -0.000) 6.409 48.105 ( 14.187 10.788 0.000) 17.823 48.236 ( -6.542 10.094 -0.000) 12.029 48.865 ( 10.003 -17.557 0.000) 20.207 48.878 ( -3.388 -9.702 0.000) 10.276 49.354 ( -8.494 4.572 -0.000) 9.646 50.580 ( -4.008 -3.167 -0.000) 5.108 50.916 ( 2.611 7.701 -0.000) 8.131 51.667 ( 1.229 1.872 -0.000) 2.239 ======================= Grid point 4 (5/186) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 10.571 15.004 -0.000) 18.354 4.073 ( 6.992 25.186 -0.000) 26.139 4.361 ( -2.579 -0.420 -0.000) 2.613 5.058 ( 5.860 -1.572 0.000) 6.067 5.167 ( -0.885 -1.577 0.000) 1.808 5.234 ( 3.971 -19.815 0.000) 20.209 5.780 ( -22.380 -6.723 -0.000) 23.368 6.610 ( -14.764 -15.501 0.000) 21.407 8.105 ( 11.448 13.977 -0.000) 18.068 8.247 ( 3.888 7.275 -0.000) 8.249 8.501 ( 1.271 1.341 -0.000) 1.848 8.863 ( 4.436 -6.683 0.000) 8.021 14.029 ( 29.501 28.579 0.000) 41.073 14.227 ( -6.134 38.151 -0.000) 38.641 16.090 ( 8.042 -15.529 0.000) 17.487 18.259 ( -0.551 -6.192 0.000) 6.216 19.280 ( 37.148 8.725 0.000) 38.159 21.088 ( 16.201 5.961 0.000) 17.263 21.799 ( -26.000 -2.320 -0.000) 26.104 22.279 ( -15.862 35.556 -0.000) 38.934 22.721 ( 18.228 -14.648 0.000) 23.384 24.362 ( -28.535 -19.273 -0.000) 34.434 24.545 ( 7.950 13.263 -0.000) 15.463 25.773 ( -1.400 -10.574 0.000) 10.666 26.652 ( 25.737 -4.078 0.000) 26.058 27.204 ( -0.566 6.298 -0.000) 6.324 27.400 ( -1.577 4.364 -0.000) 4.640 27.914 ( -7.010 -3.570 -0.000) 7.866 48.255 ( -9.114 7.746 -0.000) 11.961 48.434 ( 9.035 -9.937 0.000) 13.431 48.822 ( 2.596 12.071 -0.000) 12.347 48.825 ( 14.377 -10.912 0.000) 18.049 49.300 ( -8.009 7.558 -0.000) 11.013 50.351 ( -7.154 -8.259 0.000) 10.927 51.147 ( 5.279 6.706 -0.000) 8.534 51.672 ( -1.946 -0.631 -0.000) 2.045 ======================= Grid point 5 (6/186) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 8.704 12.514 -0.000) 15.243 4.161 ( -10.225 -6.968 -0.000) 12.374 4.591 ( 4.687 14.576 -0.000) 15.311 4.907 ( -2.564 -11.246 0.000) 11.535 4.948 ( 6.298 -11.345 0.000) 12.976 5.041 ( -8.656 -2.141 -0.000) 8.916 5.635 ( 2.644 10.556 -0.000) 10.882 6.045 ( -11.464 -13.848 0.000) 17.978 8.455 ( -0.521 6.955 -0.000) 6.975 8.467 ( 5.532 1.297 0.000) 5.682 8.600 ( -1.098 10.606 -0.000) 10.663 8.777 ( 5.049 -11.376 0.000) 12.447 14.731 ( -12.477 30.729 -0.000) 33.165 14.866 ( 20.216 -7.264 0.000) 21.481 16.351 ( 23.921 18.653 0.000) 30.334 17.487 ( -26.156 -31.376 0.000) 40.848 20.244 ( 40.622 5.952 0.000) 41.056 21.112 ( -34.596 -4.551 -0.000) 34.894 22.007 ( 31.652 28.066 0.000) 42.303 22.609 ( -18.543 30.632 -0.000) 35.807 22.738 ( 19.909 -22.755 0.000) 30.235 23.264 ( -32.736 -27.095 -0.000) 42.495 25.002 ( 8.850 14.485 -0.000) 16.975 25.447 ( -6.619 -13.285 0.000) 14.843 27.057 ( 20.683 -3.910 0.000) 21.049 27.254 ( -7.649 5.272 -0.000) 9.290 27.493 ( 0.849 5.821 -0.000) 5.883 27.683 ( -6.670 -5.005 -0.000) 8.339 48.237 ( -5.736 6.611 -0.000) 8.753 48.310 ( 3.663 -9.876 0.000) 10.533 48.945 ( 11.309 -4.523 0.000) 12.180 49.040 ( -4.427 4.078 -0.000) 6.019 49.498 ( 4.098 17.601 -0.000) 18.072 49.968 ( -8.076 -14.161 0.000) 16.302 51.381 ( 5.704 5.095 0.000) 7.648 51.568 ( -4.483 -3.024 -0.000) 5.408 ======================= Grid point 11 (7/186) ======================= q-point: (-0.19 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.130 -25.922 -20.737) 33.215 1.718 ( -15.958 -31.928 -14.175) 38.406 3.074 ( 8.900 -61.496 -12.655) 63.412 4.272 ( 0.210 -8.346 -4.681) 9.571 4.547 ( 0.788 2.688 8.324) 8.783 5.472 ( 0.721 -4.762 2.821) 5.581 5.813 ( -1.941 -19.490 2.344) 19.726 7.853 ( -2.781 9.043 16.125) 18.696 7.928 ( 5.266 9.681 19.405) 22.316 8.301 ( -0.531 3.534 5.008) 6.153 8.505 ( -0.131 10.459 -14.274) 17.696 9.186 ( 0.353 -2.865 -2.003) 3.513 11.912 ( -3.546 -12.055 -4.304) 13.282 12.452 ( -7.854 -34.196 -20.993) 40.887 16.518 ( 5.306 21.527 -50.361) 55.025 16.738 ( 3.950 6.175 -19.858) 21.168 17.524 ( 0.343 -9.733 -27.632) 29.298 20.476 ( -11.338 -0.144 55.245) 56.397 21.608 ( 2.247 -3.492 60.662) 60.804 22.598 ( 1.867 5.731 -13.322) 14.622 23.112 ( -6.762 -3.449 -34.245) 35.077 23.559 ( 0.332 -7.172 9.492) 11.902 25.344 ( 8.497 -30.132 16.941) 35.597 25.818 ( -0.515 16.026 -4.266) 16.592 26.253 ( 0.846 -4.101 -4.304) 6.005 27.320 ( 1.869 3.343 3.669) 5.303 27.730 ( -0.961 21.008 -41.692) 46.695 28.338 ( -0.268 3.556 -1.185) 3.758 47.505 ( 0.375 -4.354 -9.046) 10.046 47.957 ( -3.248 4.713 -1.251) 5.859 49.316 ( 1.903 10.395 -2.709) 10.909 49.358 ( 7.201 0.982 -0.364) 7.277 49.579 ( -0.066 -0.443 0.323) 0.552 50.588 ( 0.511 -2.603 -1.586) 3.091 50.654 ( -6.273 -8.931 9.623) 14.550 51.415 ( 0.001 -4.213 2.300) 4.800 ======================= Grid point 12 (8/186) ======================= q-point: (-0.19 -0.01 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 26.667 -14.749 -19.816) 36.350 1.475 ( 27.100 -16.903 -24.032) 39.971 2.288 ( 32.939 -45.622 -23.706) 61.060 4.201 ( 3.379 -3.586 -3.628) 6.118 4.590 ( -0.916 0.422 8.710) 8.768 5.380 ( 0.545 -0.939 2.211) 2.463 5.639 ( 13.219 -12.124 4.393) 18.467 7.927 ( -6.376 7.606 17.580) 20.188 8.066 ( -3.570 -0.467 24.798) 25.058 8.310 ( -3.922 4.251 4.066) 7.070 8.697 ( 1.407 0.022 -9.402) 9.506 9.032 ( 3.848 -3.838 -2.835) 6.130 11.876 ( 21.848 -5.226 -20.257) 30.249 11.945 ( 7.397 -16.366 -10.279) 20.694 16.728 ( -3.519 2.623 -2.688) 5.146 16.997 ( -13.156 8.591 -36.809) 40.023 17.585 ( -17.671 15.086 -76.587) 80.034 20.508 ( 10.620 4.159 57.814) 58.928 21.500 ( 0.039 -4.533 65.756) 65.912 22.698 ( -6.656 5.272 -14.181) 16.529 23.013 ( 3.816 2.011 -32.602) 32.886 23.529 ( 5.040 -4.672 7.003) 9.811 24.870 ( 27.136 -35.878 19.992) 49.227 26.087 ( -2.754 4.188 -4.508) 6.742 26.114 ( -3.043 1.467 -3.010) 4.525 27.349 ( -1.863 0.921 7.522) 7.804 28.071 ( -28.923 28.591 -54.712) 68.171 28.372 ( -1.544 1.761 -1.642) 2.860 47.485 ( -3.010 2.626 -14.308) 14.855 48.091 ( 3.211 0.879 -1.738) 3.755 49.277 ( -8.738 1.043 0.397) 8.809 49.483 ( -5.007 2.869 -2.022) 6.115 49.536 ( -2.199 1.533 -0.737) 2.780 50.492 ( 12.375 -7.199 15.938) 21.424 50.579 ( 3.406 -2.170 -1.702) 4.383 51.369 ( 3.600 -3.575 2.022) 5.462 ======================= Grid point 14 (9/186) ======================= q-point: (-0.19 -0.01 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 21.287 7.361 -13.033) 26.022 2.269 ( 26.151 11.660 -8.979) 30.007 4.207 ( 24.651 -0.508 7.835) 25.871 4.483 ( 5.704 3.956 2.788) 7.481 4.847 ( 31.035 13.977 -8.768) 35.148 5.529 ( 5.705 -5.019 -0.470) 7.613 6.259 ( 14.937 5.648 1.731) 16.063 7.499 ( -12.093 -9.984 13.710) 20.830 7.793 ( -11.266 1.807 12.452) 16.889 8.076 ( -7.811 -4.894 -2.856) 9.650 8.447 ( -10.016 10.562 -6.403) 15.902 9.123 ( -0.935 -5.393 -2.698) 6.103 12.259 ( 11.292 13.442 -6.744) 18.806 12.839 ( 28.187 -11.091 -26.929) 40.530 16.612 ( 0.353 9.854 -4.975) 11.044 16.903 ( 7.663 20.698 -32.159) 39.004 17.912 ( 14.317 11.990 -17.071) 25.301 20.374 ( -0.890 3.536 46.970) 47.111 21.527 ( -6.819 -6.362 42.410) 43.423 22.573 ( 1.170 -4.258 -0.712) 4.473 22.991 ( 1.196 -3.878 -36.467) 36.692 23.795 ( 10.115 3.549 10.320) 14.880 25.406 ( -20.871 -1.829 -5.273) 21.604 25.983 ( 12.318 7.643 10.778) 18.064 26.363 ( 9.020 -0.618 -3.650) 9.750 27.295 ( -4.122 2.556 -6.080) 7.778 27.394 ( -1.902 -8.500 -15.172) 17.495 28.216 ( -6.187 -1.999 0.009) 6.502 47.712 ( 10.675 4.491 -1.265) 11.650 47.881 ( -6.170 5.833 -0.725) 8.522 49.157 ( -8.354 1.133 -2.541) 8.805 49.333 ( -0.356 -6.921 4.262) 8.136 49.556 ( 0.741 -3.966 -6.051) 7.273 50.642 ( 1.485 -3.633 2.559) 4.685 50.690 ( 4.553 2.207 -1.380) 5.245 51.514 ( 1.869 2.982 2.457) 4.292 ======================= Grid point 15 (10/186) ======================= q-point: (-0.19 -0.01 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 12.853 11.111 -6.558) 18.212 3.076 ( 17.526 21.775 -6.012) 28.591 4.328 ( 1.993 -1.645 9.145) 9.503 4.813 ( 10.517 7.406 2.247) 13.058 5.458 ( 7.382 -8.966 -0.369) 11.620 5.724 ( 22.771 -0.737 -5.743) 23.495 6.298 ( -8.253 -11.906 -3.173) 14.830 7.043 ( -13.922 -10.179 13.791) 22.083 7.748 ( 5.931 5.800 0.180) 8.297 7.913 ( -5.219 3.369 -0.663) 6.247 8.433 ( -10.493 8.742 -6.029) 14.929 9.040 ( 2.789 -3.708 1.921) 5.022 12.871 ( 10.704 25.291 -5.602) 28.028 13.312 ( 24.216 6.517 -21.740) 33.189 16.696 ( 6.737 -5.822 1.156) 8.979 17.704 ( 6.751 29.064 -13.453) 32.731 18.570 ( 15.096 26.247 -17.245) 34.845 20.564 ( -1.821 16.224 40.117) 43.312 21.181 ( -8.011 -8.892 26.047) 28.665 22.336 ( -6.722 -11.664 -9.579) 16.523 23.108 ( 9.097 2.120 -20.610) 22.628 24.071 ( 10.703 1.667 11.933) 16.116 24.889 ( -25.057 -2.196 -9.812) 26.999 26.145 ( 3.972 -5.672 3.764) 7.881 26.634 ( 9.885 6.407 3.876) 12.401 27.223 ( 0.568 -2.857 -11.866) 12.218 27.349 ( 5.724 -2.961 0.098) 6.445 28.018 ( -8.646 -2.440 0.705) 9.012 47.881 ( -5.900 7.551 0.908) 9.626 48.120 ( 11.528 11.320 2.227) 16.309 48.993 ( -2.920 -7.548 1.169) 8.177 49.168 ( -4.627 -2.352 -0.116) 5.191 49.454 ( 4.336 -10.060 -6.821) 12.904 50.558 ( -1.750 -4.367 1.444) 4.921 50.880 ( 5.436 6.013 -2.061) 8.364 51.584 ( -1.586 3.285 1.782) 4.060 ======================= Grid point 16 (11/186) ======================= q-point: (-0.19 -0.01 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 6.021 13.474 -3.586) 15.188 3.741 ( 3.962 19.296 -2.586) 19.868 4.368 ( 5.679 0.284 5.736) 8.077 5.138 ( 6.541 7.120 2.695) 10.037 5.335 ( -1.191 -10.315 -2.391) 10.655 5.601 ( -6.564 -18.494 2.145) 19.741 5.836 ( 0.028 -21.143 -7.286) 22.364 6.544 ( -11.683 -11.740 4.876) 17.266 8.014 ( -1.842 11.830 1.289) 12.042 8.115 ( 6.976 9.905 -4.480) 12.917 8.434 ( -3.366 7.188 -2.009) 8.187 9.057 ( 5.092 -3.961 4.392) 7.804 13.602 ( 3.168 28.272 -1.939) 28.515 14.134 ( 28.614 24.786 -14.863) 40.670 16.660 ( 10.274 -14.843 -2.507) 18.226 17.900 ( -21.928 3.360 8.693) 23.827 19.618 ( 19.099 38.394 -18.114) 46.551 20.763 ( -12.012 9.264 33.576) 36.844 21.130 ( 2.035 17.366 4.025) 17.942 21.960 ( -5.338 -9.210 -8.968) 13.919 23.336 ( 13.697 -3.981 -8.369) 16.538 23.952 ( -21.258 -11.123 4.243) 24.364 24.651 ( 6.408 5.679 -5.996) 10.453 25.977 ( -1.929 -12.046 2.191) 12.395 26.960 ( 5.800 9.338 7.740) 13.445 27.231 ( 3.730 -2.018 -5.322) 6.805 27.431 ( 8.370 -4.134 -3.220) 9.875 27.793 ( -8.540 -1.530 0.980) 8.731 47.916 ( -6.028 7.954 0.268) 9.984 48.616 ( 6.538 14.533 2.984) 16.213 48.751 ( 4.163 -12.177 4.665) 13.688 49.061 ( -6.655 1.965 -2.202) 7.280 49.372 ( 7.347 -9.015 -6.345) 13.247 50.388 ( -3.098 -7.787 1.051) 8.446 51.125 ( 5.142 7.071 -1.208) 8.826 51.577 ( -4.386 1.959 0.578) 4.838 ======================= Grid point 17 (12/186) ======================= q-point: (-0.19 -0.01 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 2.394 15.938 -0.815) 16.137 3.927 ( -8.181 6.576 0.525) 10.509 4.615 ( 10.281 4.675 -0.065) 11.294 4.851 ( -16.062 -8.071 2.919) 18.211 5.294 ( 11.316 -14.559 0.068) 18.439 5.385 ( 0.947 -14.269 -2.967) 14.605 5.542 ( 5.684 5.530 -1.066) 8.002 6.113 ( -5.467 -12.746 -1.118) 13.914 8.184 ( -6.046 12.133 1.809) 13.676 8.326 ( -5.193 11.167 -4.658) 13.167 8.583 ( 6.111 0.824 0.970) 6.242 9.027 ( 2.840 -8.168 3.774) 9.436 14.119 ( -2.668 23.839 -3.817) 24.290 15.332 ( 29.483 28.097 -7.382) 41.391 16.533 ( 6.986 -13.867 -0.652) 15.541 17.123 ( -33.155 -16.750 14.434) 39.852 20.396 ( -35.162 2.957 0.683) 35.293 20.654 ( 9.369 33.013 -15.161) 37.516 21.783 ( 0.248 26.251 11.868) 28.810 21.941 ( 13.580 8.493 6.781) 17.394 23.071 ( -25.045 -15.903 -10.683) 31.532 23.530 ( 17.859 -14.779 1.120) 23.208 25.028 ( 13.777 6.758 0.464) 15.352 25.630 ( -4.463 -14.534 0.505) 15.212 27.031 ( -11.987 -1.080 -1.578) 12.139 27.349 ( 2.957 8.677 3.121) 9.684 27.500 ( 8.704 -4.656 -0.176) 9.873 27.675 ( 1.499 -3.715 -0.117) 4.008 47.963 ( -5.186 7.920 -1.276) 9.552 48.473 ( -3.670 -6.490 0.360) 7.465 48.933 ( -5.248 -1.540 -0.396) 5.484 49.146 ( 10.090 6.163 7.399) 13.948 49.434 ( 8.725 2.731 -5.064) 10.451 50.123 ( -2.297 -12.403 -0.027) 12.614 51.345 ( 1.953 6.369 0.957) 6.730 51.499 ( -4.462 0.257 -1.547) 4.730 ======================= Grid point 18 (13/186) ======================= q-point: (-0.19 -0.01 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( -9.767 -2.031 3.281) 10.501 4.031 ( 1.783 13.095 -1.377) 13.287 4.511 ( -10.757 4.064 6.183) 13.056 4.879 ( 4.685 6.068 -2.851) 8.179 5.129 ( 9.176 -21.113 -1.725) 23.086 5.326 ( 11.329 -4.294 -5.776) 13.422 5.732 ( 2.262 -1.804 5.889) 6.561 6.051 ( 11.019 7.908 -4.429) 14.268 8.243 ( -8.998 7.174 2.488) 11.774 8.421 ( -6.930 10.113 -3.470) 12.741 8.614 ( 1.925 -5.120 1.614) 5.703 8.817 ( -2.863 -11.652 0.496) 12.008 14.412 ( -9.091 11.083 -0.885) 14.362 15.730 ( -13.890 -18.761 8.956) 25.003 16.056 ( -0.976 -19.238 -10.230) 21.811 17.064 ( 13.556 30.582 8.653) 34.553 19.602 ( -42.755 -0.717 -15.916) 45.627 21.305 ( -6.381 26.498 -5.432) 27.792 21.725 ( -33.576 -6.775 9.992) 35.680 22.090 ( 9.557 -4.151 11.676) 15.649 23.203 ( 20.283 27.790 -5.489) 34.840 23.550 ( 18.925 -20.043 2.293) 27.661 25.158 ( -4.070 -12.780 4.000) 13.996 25.496 ( 12.554 2.172 -3.495) 13.211 26.629 ( -23.227 -0.167 -7.477) 24.401 27.466 ( 2.602 -2.655 1.290) 3.935 27.599 ( 2.577 -5.551 1.942) 6.420 27.697 ( 6.758 3.594 1.449) 7.790 48.014 ( -5.518 7.295 -0.526) 9.162 48.357 ( -1.930 1.439 -1.632) 2.908 48.757 ( -5.977 -3.883 -0.050) 7.127 49.234 ( 2.866 -7.043 1.373) 7.727 49.704 ( 1.758 -4.317 6.199) 7.757 49.978 ( 10.784 2.967 -5.065) 12.278 51.322 ( -6.506 -0.899 0.427) 6.582 51.543 ( 1.141 4.288 -0.478) 4.463 ======================= Grid point 19 (14/186) ======================= q-point: (-0.19 -0.01 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -11.094 -10.526 -0.643) 15.306 4.028 ( -10.157 -2.668 7.174) 12.718 4.592 ( -7.204 7.898 4.286) 11.517 4.873 ( 3.816 -13.084 1.943) 13.767 5.109 ( 9.941 2.277 -7.266) 12.522 5.438 ( 9.666 -7.753 -8.720) 15.152 6.000 ( 18.112 9.845 6.450) 21.601 6.562 ( 13.152 14.987 -0.934) 19.962 8.047 ( -12.278 -5.041 5.699) 14.444 8.229 ( -10.081 -13.694 -1.354) 17.058 8.514 ( -8.745 4.454 -5.363) 11.184 8.723 ( 3.564 3.466 -1.303) 5.139 13.865 ( -29.790 -19.108 5.920) 35.883 15.202 ( 1.438 -23.517 2.320) 23.674 15.858 ( 6.000 -3.241 -12.801) 14.504 17.735 ( -14.119 18.652 5.115) 23.945 18.818 ( -30.334 3.722 -22.824) 38.144 20.803 ( -22.891 -9.321 8.090) 26.006 21.589 ( -15.648 17.349 16.772) 28.760 22.297 ( 15.377 -4.410 10.954) 19.387 23.438 ( 14.101 -19.779 -9.484) 26.077 24.142 ( 13.076 20.673 8.907) 26.033 24.820 ( -2.850 -7.959 -3.210) 9.043 25.784 ( 10.449 1.213 -1.822) 10.676 26.182 ( -22.087 3.202 -12.842) 25.749 27.397 ( 0.741 -7.441 -2.114) 7.771 27.510 ( 2.793 -6.219 3.119) 7.497 27.911 ( 3.578 6.149 1.808) 7.340 48.023 ( -6.857 5.655 4.668) 10.039 48.404 ( -10.774 10.429 -7.107) 16.594 48.599 ( 6.027 -7.138 0.259) 9.346 49.022 ( -1.688 -12.062 0.892) 12.212 49.606 ( 5.014 -7.036 0.144) 8.641 50.360 ( 10.178 7.043 -0.118) 12.377 51.159 ( -5.158 -3.065 -0.881) 6.064 51.614 ( -1.726 3.069 1.570) 3.855 ======================= Grid point 20 (15/186) ======================= q-point: (-0.19 -0.01 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -11.137 -16.201 -4.413) 20.149 3.589 ( -16.384 -15.097 3.033) 22.485 4.432 ( 2.208 -11.943 4.206) 12.853 4.691 ( -6.228 -6.080 7.184) 11.285 5.173 ( 0.059 -14.047 -10.102) 17.303 5.475 ( 7.156 -4.554 -6.023) 10.403 6.616 ( 15.872 7.830 4.202) 18.190 7.072 ( 7.927 8.895 7.243) 13.943 7.681 ( -5.025 -4.366 2.440) 7.090 7.806 ( -8.804 -1.277 2.671) 9.289 8.471 ( -9.715 8.650 -9.979) 16.395 8.897 ( 5.337 3.859 -2.936) 7.211 12.922 ( -21.853 -17.908 2.656) 28.378 14.516 ( 0.558 -44.849 -10.302) 46.020 16.124 ( 7.351 10.408 -0.045) 12.742 17.174 ( -40.711 -1.949 -21.488) 46.075 18.420 ( -18.836 -5.398 -16.553) 25.650 20.621 ( -5.037 14.385 22.256) 26.975 21.507 ( -6.752 0.358 40.749) 41.306 22.453 ( 9.644 -5.667 8.273) 13.912 23.338 ( 6.607 -10.562 -27.426) 30.123 24.220 ( -1.065 -15.033 11.978) 19.251 25.033 ( -0.294 22.105 -3.465) 22.377 25.836 ( -9.090 1.264 -7.576) 11.900 26.052 ( 7.365 0.577 -10.191) 12.587 27.244 ( 0.100 -6.805 -3.583) 7.691 27.481 ( 2.830 -2.524 0.860) 3.889 28.090 ( 2.400 5.824 0.960) 6.372 47.924 ( -8.120 -1.191 6.082) 10.215 48.239 ( -13.974 2.146 -4.309) 14.780 48.772 ( 12.554 0.840 -3.473) 13.052 48.870 ( 2.234 -0.546 -2.309) 3.259 49.598 ( 4.571 -4.170 -0.006) 6.187 50.603 ( 4.768 1.649 0.512) 5.071 51.008 ( -2.532 -3.868 -0.932) 4.716 51.598 ( -3.579 0.821 2.604) 4.501 ======================= Grid point 21 (16/186) ======================= q-point: (-0.19 -0.01 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -9.055 -22.646 -11.091) 26.793 2.775 ( -22.264 -26.261 -3.138) 34.571 4.063 ( 3.777 -39.721 -0.047) 39.901 4.500 ( -2.208 -1.093 4.712) 5.317 4.632 ( -8.948 -18.499 -6.775) 21.637 5.505 ( 4.835 -4.745 -1.598) 6.961 6.408 ( -10.288 -21.825 1.910) 24.204 7.485 ( 11.545 14.194 14.637) 23.431 7.748 ( -3.859 8.988 17.309) 19.882 8.003 ( 10.722 12.052 -7.600) 17.832 8.446 ( -11.179 9.780 -9.592) 17.682 9.086 ( 6.234 2.872 -5.848) 9.017 12.300 ( -11.309 -12.029 -0.367) 16.514 13.495 ( -7.448 -47.655 -14.975) 50.505 16.367 ( -12.297 7.211 -17.616) 22.661 16.565 ( -3.024 2.685 -25.805) 26.120 17.889 ( -11.165 -13.307 -17.166) 24.421 20.708 ( -13.421 6.771 43.166) 45.708 21.517 ( 6.663 1.061 51.088) 51.531 22.494 ( 4.588 -2.459 -1.411) 5.393 23.259 ( 0.944 -5.558 -32.794) 33.275 23.843 ( -6.861 -12.093 6.674) 15.423 25.412 ( 2.472 12.750 1.378) 13.060 25.694 ( -3.938 -2.197 -4.061) 6.068 26.221 ( 8.289 -2.007 -7.512) 11.365 27.193 ( 2.024 0.979 -7.738) 8.058 27.520 ( 2.013 1.945 -8.145) 8.612 28.240 ( 1.238 5.126 0.016) 5.274 47.683 ( -3.995 -8.475 0.195) 9.371 48.031 ( -11.534 3.857 -2.303) 12.378 49.039 ( 6.065 7.724 -3.207) 10.331 49.081 ( 11.370 3.928 -3.176) 12.442 49.601 ( 1.755 -2.272 1.337) 3.167 50.635 ( 0.399 -2.202 -0.705) 2.346 50.884 ( -2.651 -4.739 2.258) 5.881 51.515 ( -3.078 -1.975 2.690) 4.540 ======================= Grid point 22 (17/186) ======================= q-point: (-0.38 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -0.395 -11.444 -11.415) 16.168 2.938 ( -7.545 -16.739 -4.577) 18.922 4.183 ( -3.377 0.876 10.772) 11.323 4.554 ( 2.383 -13.767 2.043) 14.120 5.666 ( 4.110 -32.610 -9.429) 34.194 5.740 ( 3.707 -13.879 -3.675) 14.828 6.623 ( -7.565 -16.489 1.379) 18.194 7.065 ( 1.849 12.899 13.820) 18.994 7.342 ( 0.643 2.340 7.672) 8.047 8.068 ( 7.454 4.726 2.856) 9.276 8.211 ( -4.247 14.842 -11.256) 19.105 9.066 ( -0.969 8.275 -0.388) 8.341 12.506 ( 1.083 -6.658 -11.138) 13.022 14.463 ( -20.580 -33.608 -27.217) 47.894 16.249 ( 12.947 11.147 8.935) 19.280 17.238 ( 8.799 -1.740 -23.616) 25.262 18.537 ( 0.900 -6.072 -37.182) 37.685 19.499 ( -7.614 -1.541 44.696) 45.366 20.581 ( 0.515 -1.056 41.580) 41.597 22.649 ( 2.284 -0.242 -3.030) 3.802 23.767 ( -0.177 -6.332 -7.624) 9.912 23.840 ( -8.668 -11.909 -0.050) 14.730 25.118 ( 0.926 24.121 -8.782) 25.687 25.900 ( 3.839 -6.762 1.975) 8.023 26.468 ( 2.192 -1.406 0.043) 2.604 27.346 ( 1.744 -7.412 -2.644) 8.060 27.637 ( -0.361 7.492 -8.551) 11.374 28.084 ( -1.236 8.939 1.303) 9.117 47.723 ( 1.860 2.115 0.683) 2.899 47.903 ( -4.600 -4.169 -1.607) 6.413 49.058 ( 2.638 6.318 -6.271) 9.285 49.314 ( 3.045 0.920 0.414) 3.208 49.599 ( 1.780 -0.375 -0.273) 1.839 50.749 ( 2.626 -3.804 0.079) 4.623 50.822 ( -7.248 -3.130 -0.517) 7.911 51.432 ( 0.296 -0.241 3.865) 3.884 ======================= Grid point 23 (18/186) ======================= q-point: (-0.38 -0.02 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 7.363 -22.976 -13.252) 27.526 2.579 ( 10.020 -13.328 -18.920) 25.219 4.009 ( -2.128 -15.265 11.553) 19.262 4.384 ( 6.288 -8.988 5.140) 12.113 5.098 ( 7.864 -30.606 -13.941) 34.539 5.541 ( -0.791 -7.999 -0.757) 8.074 6.213 ( 5.024 -17.228 2.275) 18.089 7.217 ( -9.241 11.307 14.066) 20.276 7.486 ( 1.590 4.414 15.015) 15.731 8.082 ( -3.022 1.263 4.255) 5.369 8.609 ( 7.077 11.716 -9.424) 16.618 9.155 ( -3.562 4.188 -0.603) 5.531 12.578 ( 18.633 -4.640 -23.334) 30.218 13.447 ( -13.095 -30.015 -33.000) 46.491 16.616 ( 5.065 3.903 1.655) 6.605 17.471 ( 13.977 -3.350 -14.730) 20.580 18.592 ( 13.061 -2.902 -47.452) 49.302 19.335 ( 2.946 -5.043 51.607) 51.937 20.516 ( 0.832 -7.410 53.429) 53.947 22.681 ( -5.393 5.583 -10.770) 13.276 23.466 ( -1.052 -11.114 12.715) 16.921 23.712 ( -0.650 0.777 -24.351) 24.372 25.541 ( -3.791 14.361 -7.439) 16.612 25.841 ( 10.766 -8.236 3.858) 14.093 26.402 ( -2.599 -4.841 0.895) 5.567 27.228 ( 0.101 -6.159 3.682) 7.177 27.826 ( -6.826 16.581 -17.885) 25.326 28.218 ( -2.343 7.459 -0.358) 7.827 47.747 ( 0.409 -6.058 -2.057) 6.411 47.904 ( 6.870 6.646 -1.534) 9.681 49.189 ( -7.972 2.694 0.917) 8.464 49.307 ( 0.907 5.321 -3.010) 6.180 49.678 ( -0.482 -0.186 -6.088) 6.110 50.548 ( -4.458 -5.889 5.661) 9.306 50.753 ( 3.513 -3.312 -4.025) 6.286 51.442 ( 2.956 -2.280 4.667) 5.976 ======================= Grid point 24 (19/186) ======================= q-point: (-0.38 -0.02 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 17.525 -13.977 -15.362) 27.175 2.683 ( 24.951 -12.572 -14.357) 31.412 3.705 ( 13.947 -17.776 0.988) 22.616 4.376 ( 3.340 -4.323 9.040) 10.562 4.800 ( 12.628 -18.587 -14.222) 26.593 5.440 ( 2.557 -3.293 -0.535) 4.203 6.155 ( 18.172 -12.971 3.747) 22.639 7.211 ( -12.478 10.838 14.919) 22.265 7.522 ( -3.965 2.393 17.020) 17.638 8.047 ( -3.971 2.350 4.768) 6.635 8.856 ( -0.388 1.170 -5.645) 5.778 9.131 ( -1.593 2.948 -4.638) 5.721 12.763 ( -2.008 -19.856 -27.370) 33.873 13.112 ( 38.016 -3.189 -28.577) 47.666 16.587 ( -9.838 0.365 0.445) 9.855 17.501 ( 5.472 -12.749 -11.261) 17.869 18.668 ( 3.573 -9.842 -45.885) 47.064 19.656 ( 26.590 2.532 55.470) 61.566 20.300 ( -4.333 -9.520 50.681) 51.749 22.642 ( -11.021 7.809 -13.003) 18.749 23.351 ( 4.995 -4.484 12.677) 14.344 23.845 ( 6.655 4.682 -22.991) 24.388 25.466 ( 1.565 -9.279 0.678) 9.435 26.055 ( -2.055 4.899 -2.299) 5.789 26.209 ( 1.853 -5.402 -9.549) 11.126 27.129 ( -1.043 -1.441 8.662) 8.843 27.943 ( -15.009 15.218 -20.618) 29.698 28.277 ( -3.946 4.593 -0.570) 6.082 47.675 ( 2.506 -3.913 -1.990) 5.055 48.196 ( 6.524 3.020 -2.223) 7.525 49.001 ( -10.159 3.167 0.456) 10.651 49.407 ( -8.576 -0.137 -6.181) 10.573 49.506 ( -2.263 0.983 -4.159) 4.836 50.520 ( 4.639 0.239 5.942) 7.542 50.793 ( 6.418 -2.876 -3.274) 7.757 51.450 ( 3.467 -3.585 4.985) 7.051 ======================= Grid point 25 (20/186) ======================= q-point: (-0.38 -0.02 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 15.696 -6.037 -15.282) 22.723 2.844 ( 20.876 -18.298 -3.411) 27.969 4.062 ( 29.302 2.289 -0.093) 29.392 4.299 ( -0.660 -5.043 11.242) 12.339 4.929 ( 25.756 -4.215 -18.771) 32.148 5.522 ( 7.125 1.444 0.234) 7.274 6.358 ( 23.225 -9.679 2.793) 25.316 7.171 ( -13.266 10.682 16.023) 23.384 7.456 ( -4.222 -0.833 11.453) 12.234 8.029 ( -4.988 5.335 5.088) 8.901 8.622 ( -12.001 -7.019 -8.649) 16.373 9.189 ( -3.273 2.472 -3.396) 5.325 12.480 ( 5.113 -11.013 -17.828) 21.570 13.915 ( 43.969 -5.091 -26.091) 51.380 16.359 ( -13.703 3.006 6.612) 15.509 17.269 ( -2.203 -9.329 -24.837) 26.623 18.519 ( 4.566 -9.395 -42.239) 43.511 19.762 ( 1.565 -18.644 44.949) 48.687 20.377 ( 12.543 5.795 57.914) 59.539 22.603 ( -6.744 7.037 -9.747) 13.785 23.478 ( 12.022 -0.275 13.371) 17.983 23.968 ( 1.598 -4.056 -20.623) 21.078 25.414 ( -5.233 3.582 -1.665) 6.556 25.818 ( -1.760 -7.912 -7.213) 10.851 26.360 ( 2.968 4.442 -6.140) 8.138 27.169 ( 4.535 1.967 6.080) 7.836 27.835 ( -15.643 6.169 -17.133) 24.007 28.237 ( -6.420 1.623 0.223) 6.626 47.684 ( 2.896 -0.859 -0.382) 3.044 48.090 ( -2.703 -11.458 -3.316) 12.231 49.107 ( -2.339 13.472 -3.390) 14.087 49.187 ( -8.745 3.088 -7.158) 11.716 49.566 ( 2.087 0.066 1.943) 2.852 50.629 ( 3.441 2.005 1.792) 4.367 50.856 ( 6.297 -4.946 -0.230) 8.011 51.437 ( 1.935 -2.796 4.965) 6.017 ======================= Grid point 27 (21/186) ======================= q-point: (-0.38 -0.02 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 5.231 4.576 -7.752) 10.412 3.215 ( 8.398 7.598 -4.699) 12.261 4.163 ( 1.537 1.698 7.004) 7.369 4.801 ( 4.093 4.891 1.916) 6.659 5.830 ( 6.600 -7.037 -4.311) 10.567 6.251 ( 10.577 -11.715 1.135) 15.824 6.618 ( -9.914 -13.653 4.995) 17.597 6.735 ( 7.212 -3.014 2.199) 8.120 7.497 ( -0.590 10.593 0.973) 10.654 8.016 ( -2.493 7.366 -5.200) 9.355 8.073 ( -8.287 4.972 -4.082) 10.491 8.951 ( -0.952 1.492 5.617) 5.890 12.755 ( 3.723 12.471 -4.766) 13.860 14.585 ( 25.243 -19.725 -28.474) 42.861 16.387 ( -10.724 19.095 11.127) 24.565 17.562 ( 0.678 14.188 -5.315) 15.166 18.812 ( 5.331 15.151 -32.569) 36.314 19.529 ( 2.306 6.554 41.863) 42.436 20.530 ( -7.124 3.455 17.506) 19.213 22.593 ( -1.353 -8.465 -1.821) 8.763 23.712 ( 5.183 -3.669 -16.541) 17.718 24.155 ( 14.287 -4.495 8.148) 17.051 24.660 ( -17.946 2.428 -10.280) 20.823 26.084 ( 1.573 4.788 7.912) 9.380 26.497 ( -0.031 -0.130 4.805) 4.807 27.434 ( 1.083 -0.301 -5.846) 5.953 27.645 ( 8.782 -1.528 -2.425) 9.238 27.840 ( -10.743 -2.653 1.572) 11.177 47.699 ( -2.502 2.470 -1.023) 3.661 48.054 ( 5.712 7.042 2.746) 9.474 49.002 ( -2.465 0.164 -2.054) 3.213 49.216 ( -0.867 -8.974 4.070) 9.892 49.637 ( -1.768 2.279 -4.183) 5.081 50.692 ( 1.229 -8.291 0.227) 8.385 50.918 ( 4.017 4.950 -1.700) 6.598 51.448 ( -1.784 2.547 1.056) 3.284 ======================= Grid point 28 (22/186) ======================= q-point: ( 0.62 -0.02 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( -0.884 8.700 -4.862) 10.006 3.476 ( -3.179 12.000 -1.467) 12.500 4.337 ( 5.524 7.688 1.146) 9.536 4.881 ( -10.064 5.650 2.607) 11.832 5.595 ( -4.366 -14.735 -0.156) 15.369 6.041 ( -14.403 -11.652 4.113) 18.977 6.068 ( 11.008 -18.087 0.779) 21.188 6.757 ( 4.614 -13.578 -5.793) 15.466 7.645 ( -8.850 13.682 -1.941) 16.410 7.988 ( -10.842 9.783 -5.215) 15.507 8.352 ( 12.445 8.337 0.824) 15.002 9.051 ( 5.555 0.536 7.271) 9.166 13.134 ( 0.296 20.460 4.231) 20.895 14.838 ( 21.968 -2.062 -18.251) 28.634 16.433 ( -22.349 15.004 11.952) 29.453 17.659 ( 0.336 -4.013 -0.035) 4.028 19.292 ( -3.050 26.484 -12.862) 29.600 19.884 ( 4.057 21.369 22.647) 31.400 20.495 ( -15.034 15.181 -3.607) 21.668 22.319 ( 1.209 -14.842 -0.159) 14.892 23.729 ( -6.661 -5.118 -10.774) 13.662 23.964 ( -1.704 -6.140 -7.835) 10.099 24.818 ( 16.935 3.303 2.655) 17.457 26.056 ( -3.800 -5.963 2.999) 7.681 26.585 ( 2.031 8.746 13.161) 15.932 27.432 ( -3.345 -6.319 -3.424) 7.927 27.552 ( -3.493 -0.368 4.220) 5.490 27.836 ( 9.223 -1.687 -3.729) 10.090 47.736 ( -1.364 4.788 -2.546) 5.592 48.362 ( 2.332 13.288 2.899) 13.799 48.939 ( 3.892 -10.321 6.863) 12.991 49.001 ( -3.199 -3.372 0.433) 4.668 49.616 ( -1.097 -1.007 -2.748) 3.125 50.541 ( 0.575 -8.405 -1.016) 8.485 51.089 ( 1.507 5.412 0.174) 5.621 51.460 ( -2.499 3.152 -2.569) 4.773 ======================= Grid point 29 (23/186) ======================= q-point: ( 0.62 -0.02 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -5.991 11.182 2.508) 12.931 3.610 ( -5.709 12.310 -3.719) 14.070 4.469 ( -19.683 -1.722 6.225) 20.716 4.650 ( -0.950 8.108 -1.876) 8.377 5.489 ( 6.204 1.462 2.967) 7.031 5.576 ( -8.633 -7.701 3.457) 12.074 6.011 ( 16.089 -17.926 -4.847) 24.570 6.506 ( 1.636 -13.979 -9.102) 16.761 7.683 ( -13.466 15.017 -1.202) 20.206 8.053 ( -5.459 10.444 -2.512) 12.050 8.693 ( 8.898 2.310 0.752) 9.223 9.094 ( 1.990 -5.018 6.137) 8.174 13.570 ( -0.430 22.509 11.633) 25.341 15.149 ( -12.314 7.533 14.231) 20.271 16.217 ( -6.614 8.889 1.930) 11.247 17.553 ( 7.814 -14.162 -17.566) 23.878 19.590 ( -17.278 17.896 -0.157) 24.877 20.238 ( -20.640 26.047 -29.251) 44.273 20.659 ( -11.574 27.987 25.561) 39.631 22.178 ( 13.023 -11.958 9.430) 20.038 23.320 ( -12.044 -4.239 -23.414) 26.669 23.990 ( 10.590 -8.953 7.720) 15.872 25.210 ( 14.939 0.541 3.575) 15.370 25.816 ( -1.377 -8.574 -1.860) 8.881 26.777 ( -6.624 4.304 7.998) 11.242 27.165 ( -5.147 2.677 -1.089) 5.903 27.595 ( 6.135 -3.919 6.817) 9.973 27.941 ( 6.824 -4.706 -2.698) 8.717 47.821 ( -1.806 6.189 -5.117) 8.231 48.446 ( -6.618 -2.550 0.640) 7.121 48.832 ( -3.411 0.813 0.825) 3.603 49.106 ( 14.375 2.643 10.621) 18.068 49.565 ( -0.526 -2.209 1.340) 2.637 50.383 ( 1.377 -8.746 -3.329) 9.459 51.162 ( -4.152 4.400 2.720) 6.633 51.487 ( -1.026 2.938 -5.105) 5.979 ======================= Grid point 30 (24/186) ======================= q-point: ( 0.62 -0.02 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -8.873 7.649 8.757) 14.626 3.809 ( -6.466 18.757 -2.538) 20.002 4.028 ( -14.414 -3.021 5.906) 15.867 4.815 ( -3.264 9.443 -2.986) 10.428 5.452 ( 3.277 3.002 4.520) 6.339 5.724 ( 8.754 -0.208 -0.554) 8.774 6.009 ( 17.866 -11.819 -3.569) 21.716 6.357 ( 5.585 -6.923 -10.501) 13.762 7.753 ( -11.906 16.217 -0.828) 20.135 8.137 ( -4.974 8.178 -0.423) 9.581 8.742 ( -0.884 -7.711 1.779) 7.962 8.946 ( -0.691 -8.093 1.725) 8.304 13.923 ( -7.884 9.613 15.659) 19.995 14.626 ( -28.686 7.024 30.462) 42.429 16.672 ( 8.948 16.438 2.984) 18.952 17.373 ( 8.538 -17.908 -32.044) 37.688 19.274 ( -30.346 5.373 -31.257) 43.894 20.362 ( -23.079 27.115 7.265) 36.340 20.710 ( -24.598 11.024 14.680) 30.694 22.313 ( 16.860 -7.027 13.057) 22.453 23.329 ( 4.256 13.965 -21.063) 25.628 23.966 ( 7.116 -10.531 14.719) 19.447 25.259 ( 2.329 -12.622 7.024) 14.631 25.841 ( 11.135 -0.293 -4.159) 11.890 26.453 ( -17.028 -2.286 -11.730) 20.803 27.390 ( 5.024 10.080 5.979) 12.751 27.599 ( 3.196 -4.762 7.403) 9.365 27.911 ( 3.527 -8.431 -1.715) 9.298 47.874 ( -3.785 3.449 -4.652) 6.918 48.235 ( -8.792 0.588 -1.036) 8.872 48.799 ( 3.115 -2.726 0.751) 4.207 49.340 ( 1.641 -4.943 4.464) 6.860 49.614 ( 7.652 3.131 9.939) 12.929 50.303 ( 5.290 -3.322 -6.093) 8.726 51.125 ( -6.495 3.406 2.773) 7.841 51.513 ( -1.948 2.108 -3.887) 4.832 ======================= Grid point 31 (25/186) ======================= q-point: ( 0.62 -0.02 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -9.148 0.873 4.334) 10.160 3.657 ( -15.043 -0.374 11.544) 18.965 4.116 ( -2.992 13.909 -1.798) 14.341 4.874 ( -5.780 4.320 -2.447) 7.619 5.717 ( 12.145 -1.779 1.497) 12.366 5.893 ( 17.116 3.263 0.071) 17.425 6.172 ( 14.622 -11.805 -8.187) 20.498 6.561 ( 8.650 14.385 -3.773) 17.205 7.743 ( -13.048 4.866 0.543) 13.936 8.187 ( -5.643 7.004 0.522) 9.010 8.352 ( -10.635 -15.596 4.071) 19.311 8.841 ( 1.228 -2.290 -4.555) 5.244 13.371 ( -26.881 -9.742 14.239) 31.941 14.853 ( 8.565 18.357 25.217) 32.346 16.594 ( -15.179 -13.774 -6.899) 21.627 17.404 ( 1.530 1.022 -23.440) 23.512 18.883 ( -14.961 5.847 -36.619) 39.988 20.031 ( -29.208 -0.665 30.230) 42.041 20.584 ( -14.909 16.031 3.237) 22.130 22.502 ( 13.109 -5.287 10.110) 17.378 23.850 ( 5.887 12.381 -2.299) 13.901 23.911 ( 4.359 4.131 1.924) 6.306 24.938 ( -1.715 -18.375 10.508) 21.236 25.982 ( -1.896 0.426 -7.660) 7.902 26.248 ( 1.683 1.368 -14.552) 14.713 27.515 ( 1.748 -4.675 3.506) 6.100 27.671 ( 2.429 3.599 3.530) 5.596 27.784 ( 1.181 -4.653 0.353) 4.814 47.802 ( -4.463 -0.777 1.405) 4.744 48.141 ( -9.889 7.237 -5.308) 13.355 48.877 ( 9.964 -2.882 -1.393) 10.466 49.158 ( -1.724 -8.705 3.654) 9.597 49.724 ( 2.169 -2.734 4.342) 5.570 50.490 ( 9.647 3.561 -2.178) 10.511 51.058 ( -5.734 2.292 1.233) 6.297 51.491 ( -3.446 1.385 -0.964) 3.837 ======================= Grid point 32 (26/186) ======================= q-point: (-0.38 -0.02 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -6.400 -6.204 -3.690) 9.647 3.353 ( -11.347 -5.054 7.177) 14.346 4.216 ( -5.354 5.158 4.067) 8.474 4.761 ( -2.734 -5.882 0.210) 6.490 5.832 ( 8.727 -8.185 -3.040) 12.344 6.080 ( 13.686 -22.156 -10.064) 27.920 6.500 ( 13.745 15.154 7.109) 21.659 7.000 ( 1.419 6.850 0.610) 7.022 7.475 ( -8.548 -4.236 4.033) 10.357 7.846 ( -5.694 -6.681 -2.176) 9.044 8.199 ( -7.729 6.707 -0.483) 10.245 8.912 ( 0.596 6.289 -3.336) 7.143 12.775 ( -13.067 -8.244 1.880) 15.564 15.269 ( 5.475 -9.264 1.835) 10.916 15.958 ( -12.587 -2.889 2.196) 13.099 17.271 ( -6.312 -2.781 -27.344) 28.201 18.742 ( -8.696 -2.576 -34.776) 35.939 19.631 ( -11.978 4.501 37.389) 39.518 20.585 ( -6.516 5.914 22.391) 24.058 22.607 ( 7.242 -4.388 5.122) 9.897 23.840 ( -0.047 -2.087 -7.264) 7.558 24.253 ( 1.463 -9.871 10.178) 14.253 24.669 ( -4.028 14.357 -4.500) 15.576 25.933 ( -0.814 -0.531 -7.218) 7.283 26.386 ( 6.485 0.240 -6.066) 8.883 27.450 ( -0.901 -2.970 -4.463) 5.436 27.594 ( 3.750 -7.399 1.459) 8.422 27.917 ( -0.398 9.215 2.753) 9.625 47.716 ( -2.975 0.368 2.737) 4.059 48.064 ( -7.807 1.788 -3.607) 8.784 48.963 ( 1.791 -1.789 -1.427) 2.906 49.127 ( 10.869 -0.956 -3.165) 11.360 49.661 ( -2.087 -2.507 2.632) 4.192 50.701 ( 6.392 -0.062 -0.236) 6.397 50.978 ( -5.386 0.309 -0.333) 5.405 51.448 ( -2.657 0.943 2.046) 3.484 ======================= Grid point 33 (27/186) ======================= q-point: ( 0.43 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 1.121 5.704 6.267) 8.548 3.184 ( 4.308 7.529 -1.098) 8.743 4.152 ( 1.023 -2.175 -5.984) 6.449 4.741 ( -0.942 4.635 -1.193) 4.878 5.907 ( 0.373 7.268 3.626) 8.131 6.315 ( -6.184 23.155 4.031) 24.303 6.708 ( -6.097 -8.468 -3.485) 11.000 6.877 ( 11.463 -4.991 -3.265) 12.922 7.383 ( 0.044 3.425 -3.552) 4.935 7.848 ( -5.638 -7.838 4.587) 10.689 8.082 ( 3.526 -2.517 2.779) 5.147 8.925 ( -0.940 -4.241 -1.688) 4.660 12.636 ( 0.589 6.046 1.531) 6.265 15.059 ( 23.607 25.136 21.674) 40.729 16.007 ( -15.935 -13.141 -14.023) 24.966 17.300 ( -8.842 3.744 18.241) 20.614 18.651 ( -1.065 4.997 33.060) 33.453 19.495 ( 2.493 -2.036 -40.835) 40.962 20.510 ( 1.239 -7.833 -20.949) 22.400 22.680 ( 0.180 1.851 -1.955) 2.698 23.797 ( 3.969 2.822 13.546) 14.395 24.227 ( 2.913 16.974 -9.849) 19.840 24.631 ( -0.145 -20.070 8.364) 21.743 25.976 ( -4.643 1.329 -2.046) 5.245 26.482 ( -2.587 -0.109 1.170) 2.842 27.436 ( 0.289 2.091 5.038) 5.463 27.647 ( -1.354 7.507 0.627) 7.654 27.891 ( 2.133 -10.045 -2.110) 10.484 47.681 ( 0.515 -1.387 -0.432) 1.542 47.981 ( 0.176 2.249 0.310) 2.277 48.987 ( -0.971 -0.272 1.930) 2.177 49.299 ( -3.380 -0.482 -0.114) 3.417 49.605 ( 1.464 0.271 -0.090) 1.491 50.810 ( -3.485 1.869 0.069) 3.955 50.858 ( 5.468 0.788 0.955) 5.606 51.420 ( -0.037 -1.316 -1.468) 1.972 ======================= Grid point 34 (28/186) ======================= q-point: (-0.57 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 6.647 -0.693 -1.494) 6.848 3.386 ( 11.002 -2.235 -11.868) 16.336 4.073 ( 0.966 -8.353 1.537) 8.548 4.774 ( 3.675 -4.295 0.624) 5.687 5.894 ( -5.603 -4.792 -0.959) 7.435 6.233 ( -13.896 -9.995 0.055) 17.117 6.452 ( -13.686 14.174 8.342) 21.397 6.700 ( -4.875 -16.978 3.784) 18.065 7.479 ( 12.607 -4.864 -0.125) 13.514 8.079 ( 6.018 -2.273 4.370) 7.777 8.146 ( 8.013 15.898 -7.019) 19.137 8.875 ( -2.254 3.339 1.359) 4.251 12.931 ( 15.909 6.993 -11.704) 20.952 15.138 ( -17.954 -16.637 -26.678) 36.206 16.177 ( 24.796 13.241 9.729) 29.746 17.345 ( 3.594 4.151 25.121) 25.714 18.725 ( 3.131 -4.650 36.144) 36.576 19.575 ( 14.760 -0.453 -38.528) 41.262 20.360 ( 7.527 -15.922 -1.546) 17.680 22.694 ( -5.459 4.422 -8.504) 11.031 23.917 ( -1.316 3.858 -2.907) 5.007 23.968 ( -1.660 -23.516 8.951) 25.217 24.888 ( 3.450 22.887 -11.118) 25.678 25.915 ( 0.806 -2.055 8.749) 9.023 26.372 ( -6.448 -1.340 6.765) 9.441 27.527 ( 0.339 5.948 -2.783) 6.575 27.698 ( -0.033 -7.947 -2.843) 8.441 27.819 ( -2.068 8.851 0.380) 9.098 47.728 ( 3.062 1.859 -1.878) 4.044 47.988 ( 4.492 -5.218 3.604) 7.771 49.050 ( -3.827 5.279 -1.934) 6.801 49.163 ( -4.979 3.277 0.686) 6.000 49.712 ( 3.482 2.566 -3.217) 5.390 50.675 ( -8.549 -2.781 1.293) 9.082 50.948 ( 5.169 -2.352 -1.175) 5.800 51.422 ( 3.005 -1.633 1.502) 3.735 ======================= Grid point 35 (29/186) ======================= q-point: (-0.57 -0.03 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( 8.710 -6.972 -9.029) 14.353 3.532 ( 16.947 -13.865 -14.936) 26.505 3.905 ( 1.072 -5.346 8.160) 9.814 4.713 ( 6.016 -10.941 2.016) 12.647 5.554 ( -6.256 -10.272 -3.695) 12.582 5.875 ( -5.422 -9.575 0.891) 11.040 6.304 ( -10.131 2.805 2.936) 10.914 6.502 ( -10.178 9.910 11.195) 18.087 7.523 ( 10.786 -14.436 1.769) 18.107 8.054 ( 3.394 -6.162 3.336) 7.786 8.654 ( 7.004 13.419 -5.711) 16.178 8.959 ( -1.914 7.756 1.016) 8.053 13.536 ( 27.215 6.558 -22.346) 35.819 14.434 ( -7.413 -22.688 -32.549) 40.363 16.685 ( 7.721 -2.981 0.523) 8.293 17.483 ( -1.217 7.018 29.351) 30.203 18.746 ( 19.089 -7.349 39.398) 44.392 19.940 ( 19.326 -14.758 -28.003) 37.087 20.258 ( 18.701 -10.760 3.061) 21.791 22.622 ( -13.131 7.026 -14.775) 20.978 23.408 ( -3.265 -20.597 18.013) 27.556 24.044 ( -1.305 7.791 -15.940) 17.791 25.315 ( -3.245 16.606 -8.547) 18.956 25.969 ( 3.382 -0.360 5.236) 6.243 26.232 ( -0.015 -0.071 13.958) 13.958 27.467 ( -1.833 -12.024 -4.833) 13.087 27.666 ( -3.710 9.905 -6.999) 12.683 27.975 ( -3.023 9.989 0.826) 10.469 47.810 ( 2.115 -1.199 2.113) 3.221 48.044 ( 9.499 -0.716 0.685) 9.551 48.927 ( -8.820 1.949 1.070) 9.096 49.325 ( 2.073 7.362 -5.418) 9.373 49.760 ( -4.755 0.328 -7.692) 9.049 50.421 ( -6.882 -2.813 5.082) 9.005 50.998 ( 5.904 -3.322 -3.054) 7.431 51.455 ( 3.566 -2.216 4.184) 5.927 ======================= Grid point 36 (30/186) ======================= q-point: (-0.57 -0.03 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( 8.553 -11.392 -7.852) 16.266 3.471 ( 9.285 -14.488 1.273) 17.255 4.065 ( 17.334 0.951 -6.234) 18.446 4.596 ( 5.327 -12.244 2.484) 13.581 5.418 ( 5.384 -1.461 -4.538) 7.191 5.593 ( -2.371 -7.792 0.313) 8.150 6.317 ( -11.421 15.318 3.008) 19.342 6.531 ( -2.761 7.827 10.578) 13.445 7.427 ( 10.735 -14.101 2.810) 17.943 7.977 ( 2.478 -7.409 4.416) 8.974 8.843 ( -5.409 2.327 -2.670) 6.465 9.099 ( 1.055 6.382 -3.288) 7.256 13.627 ( -5.837 -17.766 -25.145) 31.336 14.546 ( 38.479 -1.779 -29.296) 48.395 16.361 ( -13.252 -13.669 8.657) 20.915 17.645 ( -0.770 7.960 20.404) 21.915 19.149 ( 26.647 -6.838 26.428) 38.148 19.775 ( 20.378 -28.629 17.673) 39.334 20.427 ( 12.562 -16.720 -30.289) 36.807 22.479 ( -15.864 9.462 -15.490) 24.107 23.148 ( 5.089 -4.294 25.265) 26.127 24.151 ( -4.786 7.447 -14.257) 16.782 25.429 ( -6.289 3.900 -2.720) 7.884 25.870 ( -6.918 2.688 4.041) 8.451 26.528 ( 15.371 4.357 1.222) 16.023 27.163 ( -2.748 -10.968 -3.348) 11.793 27.743 ( -8.204 8.869 -8.942) 15.031 28.062 ( -5.318 6.420 1.294) 8.437 47.779 ( 2.095 -4.963 4.508) 7.024 48.299 ( 8.175 5.022 -1.184) 9.667 48.827 ( -3.318 0.679 -1.080) 3.555 49.375 ( -10.222 -1.254 -7.823) 12.933 49.569 ( -2.641 -0.575 -6.112) 6.683 50.399 ( -0.105 5.479 5.301) 7.624 51.054 ( 6.096 -3.527 -3.378) 7.811 51.459 ( 2.080 -3.243 5.750) 6.922 ======================= Grid point 37 (31/186) ======================= q-point: (-0.57 -0.03 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 6.257 -8.909 0.733) 10.912 3.376 ( 6.429 -10.829 -0.648) 12.610 4.381 ( 2.342 -9.823 0.201) 10.101 4.555 ( 19.655 -1.482 -2.502) 19.869 5.530 ( 3.590 5.355 -2.702) 6.990 5.712 ( 15.576 5.324 -4.829) 17.154 6.356 ( -14.949 16.173 5.251) 22.641 6.742 ( 6.124 7.360 6.442) 11.540 7.423 ( 11.471 -9.825 3.039) 15.406 7.861 ( 2.012 -7.484 5.755) 9.653 8.611 ( -12.674 -5.484 -3.269) 14.191 9.154 ( -3.877 0.904 -4.393) 5.928 13.163 ( -3.029 -17.402 -17.624) 24.952 15.086 ( 5.852 2.185 -8.261) 10.357 15.998 ( 10.578 -12.623 4.088) 16.969 17.695 ( -1.593 -0.619 3.481) 3.878 19.179 ( 7.956 -20.069 13.369) 25.393 19.851 ( 14.151 -14.369 9.574) 22.324 20.138 ( 12.307 -21.171 -11.950) 27.248 22.433 ( -9.858 12.695 -9.675) 18.760 23.405 ( 17.569 3.844 19.932) 26.846 24.111 ( -9.538 3.233 -2.223) 10.313 25.191 ( -17.624 -0.705 -3.509) 17.983 25.964 ( 4.546 5.489 -0.007) 7.127 26.620 ( -0.729 -9.536 -12.404) 15.663 27.205 ( 12.906 4.917 3.176) 14.171 27.681 ( -10.852 4.394 -7.379) 13.839 28.015 ( -8.227 2.710 2.595) 9.042 47.717 ( 0.776 -3.790 3.428) 5.169 48.363 ( 1.203 -10.306 -1.902) 10.549 48.919 ( 2.544 10.227 -2.300) 10.787 49.115 ( -10.476 2.391 -9.430) 14.296 49.589 ( 1.480 -0.157 0.726) 1.655 50.541 ( 0.789 6.847 2.561) 7.352 51.074 ( 3.008 -4.512 -2.093) 5.813 51.419 ( 1.530 -3.537 5.460) 6.683 ======================= Grid point 38 (32/186) ======================= q-point: (-0.57 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 0.870 -4.370 4.732) 6.500 3.281 ( 1.202 -6.453 -1.660) 6.771 4.191 ( -0.607 -6.484 -1.560) 6.697 4.779 ( 6.592 -3.914 -1.745) 7.863 5.847 ( 5.166 9.059 2.384) 10.698 6.239 ( 19.893 8.288 -4.503) 22.016 6.432 ( -8.137 16.937 -1.821) 18.878 6.933 ( -2.164 1.383 4.943) 5.571 7.386 ( 7.255 -10.546 4.520) 13.575 7.856 ( 6.706 -2.007 3.632) 7.886 8.189 ( -13.019 -7.096 -1.207) 14.876 9.008 ( -5.789 -3.346 -5.170) 8.453 12.824 ( -3.181 -9.961 -7.093) 12.636 15.051 ( -20.216 17.962 19.369) 33.264 16.071 ( 20.273 -19.546 -12.569) 30.839 17.565 ( 0.093 -10.783 0.071) 10.784 18.894 ( -2.043 -13.498 31.491) 34.323 19.543 ( -0.035 -11.321 -40.448) 42.002 20.303 ( 15.998 -4.898 4.002) 17.203 22.577 ( -0.938 10.274 -2.433) 10.599 23.819 ( 2.437 4.195 8.902) 10.138 24.031 ( 10.576 0.683 11.157) 15.388 24.780 ( -20.857 -0.172 -5.707) 21.625 26.080 ( 1.993 -3.664 -7.131) 8.262 26.480 ( 1.285 -1.710 -3.053) 3.728 27.525 ( -7.918 0.483 -1.839) 8.143 27.581 ( 12.428 4.649 -1.126) 13.317 27.859 ( -9.753 0.507 2.840) 10.171 47.672 ( 0.342 -1.459 1.640) 2.222 48.121 ( -1.135 -9.942 -2.026) 10.210 49.017 ( -3.917 1.701 -3.588) 5.578 49.203 ( 0.448 10.833 -4.474) 11.729 49.599 ( 1.951 -2.127 3.459) 4.505 50.695 ( 0.843 6.890 0.797) 6.987 50.979 ( -1.633 -5.644 0.281) 5.882 51.403 ( 2.487 -2.178 2.308) 4.032 ======================= Grid point 40 (33/186) ======================= q-point: ( 0.43 -0.03 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -11.968 6.013 9.109) 16.197 3.180 ( -12.414 14.708 -2.667) 19.431 4.279 ( 1.444 5.970 -7.378) 9.600 4.531 ( -17.005 -0.086 -1.938) 17.115 5.514 ( -28.894 -8.092 13.258) 32.804 5.684 ( -9.756 -3.365 3.218) 10.810 6.729 ( -3.780 -1.893 -2.811) 5.076 6.942 ( 1.260 -4.399 -13.220) 13.989 7.412 ( -0.388 5.073 -7.709) 9.237 7.897 ( 7.532 -6.296 2.201) 10.060 8.378 ( 11.105 9.862 4.598) 15.548 9.069 ( 7.902 -0.911 4.251) 9.019 12.611 ( -7.665 11.020 7.954) 15.603 14.753 ( -36.975 6.832 19.859) 42.523 16.092 ( 12.048 -2.277 -11.286) 16.665 17.242 ( 0.032 9.861 28.499) 30.156 18.644 ( -6.485 10.841 36.179) 38.321 19.725 ( 4.065 14.291 -40.952) 43.564 20.585 ( -5.943 1.400 -41.556) 42.002 22.543 ( -0.815 -7.879 1.042) 7.989 23.742 ( -11.274 -1.645 -2.292) 11.622 24.006 ( -5.414 5.170 4.290) 8.629 25.099 ( 21.525 -0.401 5.452) 22.209 25.884 ( -4.234 2.311 5.911) 7.629 26.388 ( -0.180 -5.066 5.639) 7.583 27.310 ( -8.836 -1.868 0.522) 9.046 27.605 ( 7.124 -3.118 7.483) 10.792 28.092 ( 7.988 -0.559 -1.701) 8.186 47.723 ( -0.410 2.073 -3.015) 3.682 48.067 ( -0.378 11.019 3.484) 11.563 49.003 ( 5.412 -2.770 6.029) 8.562 49.118 ( 0.187 -13.329 3.624) 13.814 49.611 ( -2.358 0.861 -2.267) 3.382 50.680 ( -1.803 -3.956 -0.332) 4.361 50.952 ( -3.036 5.107 0.496) 5.962 51.457 ( -0.175 2.621 -4.349) 5.081 ======================= Grid point 41 (34/186) ======================= q-point: ( 0.43 -0.03 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -14.595 10.428 12.054) 21.611 3.183 ( -21.042 14.720 1.290) 25.712 4.031 ( -18.558 0.008 -1.003) 18.585 4.453 ( -4.215 9.588 -7.327) 12.782 5.097 ( -16.089 11.160 13.429) 23.743 5.501 ( -3.338 -0.351 2.501) 4.186 6.510 ( -14.271 2.303 -2.142) 14.614 6.947 ( 11.924 -9.842 -15.212) 21.690 7.462 ( 0.866 0.711 -13.002) 13.050 7.953 ( 5.077 -1.339 0.367) 5.264 8.759 ( 8.149 5.616 3.429) 10.474 9.105 ( 2.104 -5.628 7.220) 9.393 12.786 ( -4.463 18.736 17.035) 25.713 13.967 ( -44.504 1.143 25.234) 51.173 16.339 ( 13.682 0.983 -3.594) 14.180 17.580 ( -2.018 18.973 14.099) 23.724 18.794 ( -7.917 17.290 36.926) 41.535 20.156 ( -2.440 19.761 -39.877) 44.572 20.250 ( -18.140 -6.265 -50.660) 54.173 22.439 ( 8.177 -8.735 7.225) 13.978 23.498 ( -9.553 1.819 -10.949) 14.644 23.948 ( -3.220 -5.283 16.777) 17.881 25.407 ( 8.725 0.946 1.571) 8.916 25.946 ( 3.955 2.023 1.518) 4.694 26.315 ( -4.290 3.204 13.324) 14.359 27.136 ( -2.874 -1.042 -5.922) 6.664 27.683 ( 10.275 -8.168 14.718) 19.721 28.184 ( 5.344 -3.699 -0.705) 6.538 47.751 ( -4.115 5.617 -3.052) 7.602 48.286 ( -2.396 5.644 2.091) 6.478 48.860 ( 3.148 -8.102 2.192) 8.964 49.159 ( 12.696 -0.093 8.876) 15.491 49.537 ( -2.718 -2.902 1.124) 4.132 50.577 ( -1.338 -3.310 -3.096) 4.726 50.929 ( -6.443 2.805 1.990) 7.303 51.505 ( -1.860 3.573 -5.142) 6.533 ======================= Grid point 42 (35/186) ======================= q-point: ( 0.43 -0.03 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -11.177 14.677 12.876) 22.497 2.943 ( -24.589 14.462 13.739) 31.663 3.992 ( -0.634 9.369 -10.795) 14.308 4.527 ( -7.500 10.693 -4.203) 13.720 5.219 ( -4.115 19.838 7.475) 21.595 5.545 ( -1.174 8.972 4.883) 10.282 6.350 ( -6.557 4.626 -2.026) 8.276 6.988 ( 12.363 -11.158 -13.900) 21.692 7.499 ( -0.567 1.691 -14.452) 14.562 8.019 ( 2.934 -0.406 0.527) 3.009 8.758 ( -6.411 -8.223 5.248) 11.673 9.068 ( 4.845 -3.510 3.092) 6.735 13.057 ( -19.929 5.716 25.368) 32.762 13.327 ( -10.307 21.238 27.877) 36.529 16.613 ( 5.844 2.824 0.757) 6.535 17.742 ( -11.745 9.436 4.342) 15.679 18.909 ( -16.262 13.134 43.712) 48.453 19.600 ( -23.096 -1.363 -52.423) 57.301 20.510 ( 0.967 9.739 -41.517) 42.654 22.503 ( 11.173 -5.479 8.635) 15.147 23.475 ( -2.210 7.633 -7.070) 10.637 23.754 ( -3.450 -3.433 16.772) 17.464 25.462 ( 4.162 -11.276 5.042) 13.035 25.990 ( -1.561 1.775 -0.853) 2.513 26.376 ( -2.351 8.000 -1.510) 8.474 27.202 ( 2.696 6.263 -2.242) 7.178 27.663 ( 8.157 -11.962 16.625) 22.045 28.161 ( 3.221 -6.941 -0.367) 7.661 47.792 ( -4.224 6.840 -2.503) 8.420 48.082 ( -9.778 -6.113 1.839) 11.677 48.979 ( 10.856 -0.425 -1.917) 11.032 49.346 ( -1.327 -5.500 4.541) 7.255 49.540 ( 10.933 3.484 8.955) 14.555 50.511 ( 0.346 -0.464 -5.313) 5.344 50.853 ( -6.208 3.449 3.792) 8.051 51.511 ( -3.413 2.210 -4.698) 6.213 ======================= Grid point 43 (36/186) ======================= q-point: ( 0.43 -0.03 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -5.053 10.393 11.411) 16.241 2.940 ( -8.612 18.296 10.801) 22.925 4.135 ( 1.647 1.749 -11.889) 12.129 4.632 ( -5.382 11.974 -2.224) 13.315 5.632 ( 5.594 14.348 1.814) 15.506 5.835 ( -3.274 25.825 7.544) 27.103 6.488 ( 5.933 9.713 -1.208) 11.445 6.963 ( 9.489 -13.884 -12.803) 21.136 7.451 ( -7.857 1.612 -8.559) 11.730 8.055 ( 2.966 -1.735 2.797) 4.431 8.337 ( -10.727 -14.595 7.111) 19.459 9.037 ( 1.774 -6.410 -2.190) 7.002 12.672 ( -15.552 4.510 15.006) 22.077 14.042 ( 18.207 28.510 32.163) 46.678 16.533 ( -12.875 -4.864 -5.926) 14.985 17.529 ( -17.579 2.470 11.883) 21.362 18.695 ( -15.158 6.027 37.588) 40.975 19.446 ( -3.068 5.436 -45.994) 46.415 20.599 ( -1.399 0.372 -37.263) 37.291 22.615 ( 5.963 -1.415 4.570) 7.645 23.653 ( 5.584 2.472 22.091) 22.919 23.801 ( -0.262 15.084 -11.644) 19.058 25.124 ( 0.303 -23.684 11.208) 26.204 26.009 ( -5.812 6.140 -7.295) 11.167 26.475 ( 0.926 2.313 -4.966) 5.556 27.379 ( -1.370 7.408 3.668) 8.379 27.584 ( 4.766 -6.383 9.988) 12.775 28.047 ( 2.306 -9.464 -1.116) 9.805 47.773 ( -2.777 -4.641 0.631) 5.445 47.909 ( -5.182 7.784 -1.328) 9.445 49.095 ( 0.498 -5.822 4.357) 7.289 49.240 ( 6.134 -1.687 -2.585) 6.867 49.667 ( -1.736 -1.154 5.094) 5.504 50.644 ( 8.052 3.561 -2.351) 9.112 50.831 ( -4.197 4.302 2.942) 6.692 51.466 ( -2.863 0.113 -3.512) 4.532 ======================= Grid point 44 (37/186) ======================= q-point: ( 0.24 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.857 23.149 12.814) 26.473 2.344 ( 16.122 28.906 7.344) 33.903 4.178 ( -4.573 39.366 -4.223) 39.855 4.467 ( 2.170 -0.197 -7.275) 7.594 4.598 ( -7.887 26.107 12.900) 30.170 5.578 ( -1.165 5.678 -1.003) 5.882 6.238 ( 4.603 21.821 -1.183) 22.333 7.655 ( 5.583 -10.731 -14.327) 18.751 7.685 ( -8.017 -13.416 -14.465) 21.295 8.213 ( -0.147 -5.171 -1.266) 5.326 8.242 ( -1.213 -15.198 15.250) 21.564 9.165 ( -1.213 -3.778 2.898) 4.913 12.156 ( 2.140 12.189 0.793) 12.401 13.198 ( 20.468 38.623 22.953) 49.371 16.282 ( -10.737 -3.484 35.679) 37.422 16.683 ( -7.700 -0.403 10.484) 13.014 17.781 ( -0.660 13.167 17.283) 21.737 20.454 ( 10.026 -2.578 -47.252) 48.373 21.587 ( -0.270 -6.041 -46.731) 47.120 22.572 ( -2.888 3.274 2.383) 4.973 23.163 ( 9.818 1.818 35.443) 36.823 23.755 ( 0.506 12.417 -9.589) 15.696 25.438 ( 0.980 -21.414 5.035) 22.020 25.778 ( -10.571 14.614 -9.443) 20.359 26.341 ( -3.403 4.106 5.933) 7.978 27.241 ( -2.663 -3.103 8.136) 9.106 27.515 ( 3.032 -3.209 12.725) 13.469 28.244 ( 0.689 -5.751 0.097) 5.793 47.656 ( -1.088 9.102 2.248) 9.439 47.860 ( 4.250 -4.436 1.163) 6.253 49.106 ( -2.984 -9.588 3.914) 10.778 49.338 ( -9.028 -1.088 0.164) 9.095 49.589 ( 2.060 0.566 -0.300) 2.158 50.646 ( -0.849 3.301 2.155) 4.033 50.781 ( 7.078 4.310 -4.009) 9.206 51.481 ( -0.019 2.045 -2.505) 3.234 ======================= Grid point 45 (38/186) ======================= q-point: ( 0.24 -0.04 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 7.931 16.963 5.786) 19.599 3.214 ( 19.966 17.307 -0.600) 26.430 4.437 ( 1.601 -1.666 -7.213) 7.574 4.608 ( 1.771 13.122 -5.174) 14.216 5.250 ( -7.674 35.799 11.431) 38.355 5.616 ( -6.256 6.451 3.394) 9.606 6.767 ( 1.988 8.993 -1.046) 9.270 7.207 ( -7.883 -11.913 -11.757) 18.501 7.605 ( 6.623 -4.352 -11.510) 13.974 7.756 ( -6.805 -9.283 9.494) 14.920 8.260 ( 10.545 -8.495 8.553) 16.016 8.998 ( -4.376 -5.431 2.152) 7.299 12.566 ( 13.132 14.243 -2.294) 19.508 14.427 ( 12.578 43.609 11.875) 46.914 16.233 ( 2.639 -6.693 -1.009) 7.265 16.572 ( 7.685 3.031 29.445) 30.582 18.108 ( 11.038 7.654 16.724) 21.450 20.497 ( 7.089 -12.171 -31.099) 34.140 21.414 ( 2.592 -10.113 -38.113) 39.517 22.611 ( -5.769 7.550 -6.608) 11.574 23.377 ( 3.257 7.160 27.638) 28.736 24.147 ( 5.488 17.844 -8.731) 20.610 25.004 ( 1.885 -24.216 3.449) 24.533 25.780 ( -5.110 3.170 4.275) 7.378 26.246 ( -9.328 0.827 7.397) 11.934 27.241 ( 0.284 5.068 5.643) 7.590 27.527 ( -1.393 2.525 0.306) 2.900 28.118 ( -0.379 -6.890 -0.897) 6.959 47.797 ( 4.407 1.411 -4.291) 6.311 47.988 ( 9.958 0.203 4.365) 10.875 48.912 ( -2.360 -2.488 2.908) 4.497 49.057 ( -14.429 -0.034 2.369) 14.622 49.649 ( -0.128 2.539 -1.386) 2.895 50.675 ( -2.650 1.615 0.575) 3.156 50.950 ( 3.874 1.943 -0.163) 4.337 51.526 ( 3.059 -0.912 -2.366) 3.973 ======================= Grid point 46 (39/186) ======================= q-point: ( 0.24 -0.04 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 10.826 10.590 1.577) 15.226 3.784 ( 13.980 5.762 -6.723) 16.548 4.446 ( 6.740 -8.932 -5.508) 12.472 4.844 ( 3.382 4.961 -1.635) 6.223 5.440 ( -19.272 13.549 5.274) 24.141 5.635 ( -9.639 10.911 9.225) 17.235 6.364 ( -17.017 -14.415 -8.191) 23.758 6.804 ( -10.392 -16.844 3.724) 20.139 7.793 ( 12.472 4.077 -6.270) 14.542 8.013 ( 10.843 16.021 1.298) 19.389 8.314 ( 10.651 -6.139 6.767) 14.033 8.805 ( -4.417 -4.064 0.808) 6.057 13.293 ( 25.784 18.415 -7.119) 32.475 15.259 ( -3.547 23.892 -5.060) 24.679 16.012 ( -7.831 3.693 8.234) 11.948 17.159 ( 36.517 -4.269 15.097) 39.745 18.401 ( 14.022 -6.605 20.687) 25.849 20.451 ( 12.201 -1.833 -17.113) 21.097 21.287 ( 12.955 -20.413 -22.190) 32.817 22.585 ( -11.957 6.984 -9.784) 16.954 23.621 ( -3.428 16.851 10.391) 20.092 24.330 ( -5.876 -18.919 -6.619) 20.887 24.754 ( 4.486 9.184 0.275) 10.225 25.802 ( 8.765 -2.174 10.918) 14.169 26.047 ( -10.583 0.077 6.781) 12.570 27.396 ( 0.773 7.643 2.484) 8.074 27.571 ( -3.048 6.666 -2.428) 7.721 27.958 ( -1.224 -7.345 -1.757) 7.651 47.892 ( 5.951 -2.971 -4.957) 8.295 48.155 ( 11.612 -5.859 6.266) 14.437 48.793 ( -11.315 2.880 0.921) 11.712 48.999 ( 0.528 10.229 -0.149) 10.244 49.689 ( -2.839 4.918 -0.894) 5.749 50.548 ( -8.268 -3.893 0.314) 9.144 51.063 ( 4.477 1.584 0.706) 4.801 51.555 ( 3.741 -3.250 -1.489) 5.174 ======================= Grid point 47 (40/186) ======================= q-point: ( 0.24 -0.04 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 10.561 3.714 -2.826) 11.546 4.017 ( 3.657 -6.536 -1.550) 7.648 4.294 ( 9.981 -12.996 -7.120) 17.867 4.901 ( 2.004 -5.552 3.116) 6.675 5.388 ( -15.663 19.630 0.971) 25.131 5.571 ( -12.451 3.399 7.049) 14.706 5.871 ( -11.042 -1.048 -6.039) 12.629 6.270 ( -10.165 -12.746 5.474) 17.198 8.033 ( 11.604 -7.173 -3.342) 14.045 8.268 ( 8.158 -8.902 5.675) 13.342 8.605 ( 4.534 11.250 -4.646) 12.989 8.758 ( 0.789 7.885 2.385) 8.276 14.156 ( 19.522 9.149 -8.410) 23.142 15.321 ( 10.923 -2.992 -22.535) 25.221 16.264 ( -9.723 27.695 25.741) 39.040 17.218 ( 0.094 -30.103 -2.832) 30.236 18.763 ( 37.894 -1.813 23.681) 44.722 20.991 ( 22.080 -9.786 -6.564) 25.028 21.099 ( 24.708 -11.554 -9.125) 28.762 22.423 ( -18.132 8.052 -11.776) 23.071 23.542 ( -13.070 -32.119 4.455) 34.961 23.864 ( -11.410 18.149 -2.830) 21.624 25.099 ( 1.093 15.365 -3.943) 15.901 25.764 ( -13.269 -0.899 3.173) 13.673 26.153 ( 22.497 1.031 11.611) 25.338 27.516 ( -2.292 4.440 -1.204) 5.139 27.663 ( -3.523 6.861 -1.852) 7.932 27.786 ( -2.296 -4.425 -1.698) 5.266 47.910 ( 4.613 -5.514 -0.135) 7.191 48.245 ( 8.888 -4.748 3.386) 10.630 48.729 ( -3.249 5.453 -0.510) 6.369 49.253 ( 0.614 10.075 -2.108) 10.312 49.755 ( -2.914 6.986 -4.533) 8.823 50.213 ( -11.946 -6.737 3.477) 14.148 51.193 ( 6.176 0.378 -0.372) 6.199 51.535 ( 1.882 -4.538 0.403) 4.930 ======================= Grid point 48 (41/186) ======================= q-point: (-0.76 -0.04 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 2.053 -14.618 -3.137) 15.091 3.783 ( 5.664 -7.989 1.847) 9.966 4.530 ( 15.706 3.620 -5.812) 17.133 4.763 ( -3.779 -5.914 1.473) 7.171 5.412 ( -3.144 6.588 3.339) 8.027 5.551 ( -10.426 15.235 2.983) 18.700 5.673 ( -9.600 -2.838 -5.351) 11.351 6.087 ( -2.501 10.142 6.390) 12.245 8.011 ( 10.496 -14.603 -2.537) 18.162 8.200 ( 6.854 -11.505 4.819) 14.233 8.705 ( -5.491 3.078 -1.357) 6.440 9.039 ( 1.770 9.371 -2.526) 9.866 14.138 ( -4.624 -13.909 -5.991) 15.835 15.742 ( 1.412 -19.777 -11.583) 22.963 16.326 ( 11.880 2.953 4.599) 13.077 16.842 ( -2.565 14.031 7.330) 16.036 19.599 ( 42.807 -1.133 11.579) 44.360 20.590 ( 12.151 -40.462 9.680) 43.342 21.704 ( 14.971 -13.116 -27.335) 33.814 22.238 ( -17.324 7.809 -12.740) 22.878 22.783 ( 0.623 -7.663 24.762) 25.928 23.891 ( -16.867 12.372 -3.096) 21.145 25.297 ( -10.087 0.441 -4.863) 11.207 25.567 ( -0.817 9.118 4.534) 10.216 26.691 ( 20.508 6.221 4.495) 21.897 27.408 ( -3.485 -8.643 -3.953) 10.123 27.635 ( -5.287 3.077 -4.399) 7.534 27.773 ( -5.943 6.226 2.367) 8.926 47.869 ( 4.118 -6.921 2.611) 8.466 48.374 ( 6.148 3.230 0.071) 6.945 48.828 ( 3.649 2.353 -0.243) 4.348 49.337 ( -7.045 2.316 -5.189) 9.051 49.612 ( -9.553 -6.910 -2.811) 12.120 50.111 ( -1.022 10.902 3.754) 11.576 51.302 ( 5.519 -2.859 -2.647) 6.756 51.458 ( 0.241 -3.864 3.506) 5.223 ======================= Grid point 49 (42/186) ======================= q-point: ( 0.24 -0.04 -0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -0.875 -14.240 3.416) 14.670 3.736 ( 3.450 -11.615 -1.700) 12.236 4.512 ( -7.125 -5.409 -1.916) 9.148 4.986 ( 17.624 1.962 -0.591) 17.743 5.387 ( -6.987 2.255 -1.158) 7.432 5.669 ( -6.732 18.236 0.372) 19.443 5.788 ( 2.687 19.190 2.364) 19.521 6.383 ( 4.102 13.925 1.649) 14.610 7.920 ( 8.045 -13.846 -1.369) 16.072 8.085 ( 6.661 -12.539 6.308) 15.537 8.525 ( -9.718 -4.887 -1.582) 10.992 9.145 ( -3.271 3.304 -4.110) 6.205 13.692 ( -6.575 -18.433 -7.058) 20.805 14.714 ( -28.041 -27.678 15.520) 42.347 16.789 ( 3.176 6.294 -5.466) 8.921 17.371 ( 23.869 8.742 0.183) 25.420 19.821 ( -0.177 -43.969 11.044) 45.335 20.358 ( 29.068 -2.601 -6.229) 29.841 21.156 ( -2.829 -29.637 -11.610) 31.955 22.068 ( -14.495 13.352 -5.186) 20.378 23.331 ( 24.393 9.756 10.961) 28.467 23.731 ( -12.589 5.761 3.717) 14.334 24.919 ( -17.055 -3.998 -0.709) 17.532 25.896 ( 5.818 11.690 -0.659) 13.074 27.020 ( -0.027 -6.416 -8.575) 10.710 27.237 ( 4.233 1.721 4.095) 6.136 27.588 ( -5.147 3.652 -2.128) 6.659 27.728 ( -5.099 1.736 2.313) 5.862 47.812 ( 4.241 -6.779 1.424) 8.122 48.571 ( 5.118 -0.272 -0.007) 5.125 48.918 ( 3.165 -2.565 -0.591) 4.117 49.024 ( -12.825 0.343 -7.673) 14.948 49.491 ( -4.502 4.732 4.298) 7.819 50.343 ( 1.492 9.455 0.542) 9.588 51.212 ( -3.029 -6.549 -0.240) 7.220 51.473 ( 5.412 -2.190 1.502) 6.029 ======================= Grid point 50 (43/186) ======================= q-point: ( 0.24 -0.04 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( -6.250 -9.968 5.086) 12.818 3.372 ( -10.852 -15.980 3.000) 19.548 4.355 ( -1.590 -1.149 -7.183) 7.446 4.975 ( -4.216 -7.884 -1.815) 9.123 5.553 ( -1.608 10.776 3.460) 11.431 5.992 ( -2.595 18.255 -3.499) 18.768 6.236 ( -2.886 18.189 7.660) 19.946 6.756 ( 11.833 8.993 -7.687) 16.733 7.754 ( 5.971 -13.834 -0.280) 15.070 7.953 ( -5.211 -5.693 6.895) 10.350 8.249 ( 4.333 -10.903 0.775) 11.758 9.097 ( -3.016 -0.015 -4.777) 5.649 13.097 ( -11.715 -21.508 -5.083) 25.014 13.825 ( -26.517 -3.713 25.553) 37.012 16.821 ( -3.916 -0.470 -6.427) 7.541 17.671 ( 8.908 -17.783 9.257) 21.938 18.839 ( -10.987 -34.716 15.593) 39.611 20.525 ( 2.651 -13.099 -32.942) 35.549 20.956 ( 16.016 -1.834 -16.407) 23.001 22.242 ( -0.167 16.994 8.728) 19.105 23.344 ( -13.193 -1.920 13.213) 18.771 24.134 ( 15.633 7.291 -2.934) 17.497 24.563 ( -4.481 -3.261 5.327) 7.687 26.175 ( 1.179 7.202 -2.971) 7.880 26.754 ( -2.995 -11.027 -6.928) 13.363 27.281 ( -5.476 2.585 5.458) 8.152 27.525 ( -10.316 4.696 2.455) 11.597 27.822 ( 10.405 1.736 -1.028) 10.599 47.771 ( 4.612 -6.052 0.233) 7.613 48.323 ( -7.323 -13.457 -2.468) 15.518 48.965 ( -1.476 4.437 -1.632) 4.953 49.089 ( 3.408 8.463 -1.701) 9.281 49.523 ( -2.416 4.758 4.857) 7.216 50.531 ( 0.909 6.993 0.096) 7.053 50.993 ( -5.410 -5.905 1.362) 8.123 51.523 ( 4.379 -3.126 -0.479) 5.402 ======================= Grid point 51 (44/186) ======================= q-point: ( 0.24 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -14.775 -5.754 7.590) 17.579 2.778 ( -22.662 -5.939 5.708) 24.113 4.361 ( 0.679 1.655 -9.422) 9.590 4.680 ( -10.999 -5.327 -2.153) 12.409 5.597 ( -25.092 0.667 2.053) 25.185 5.684 ( -20.008 -1.169 5.773) 20.857 6.485 ( -6.633 7.313 1.437) 9.977 7.234 ( 15.175 8.738 -13.750) 22.264 7.620 ( 4.628 -7.281 -6.805) 10.988 7.902 ( 7.917 2.346 9.909) 12.898 8.232 ( 11.239 -10.579 4.122) 15.975 9.087 ( 2.081 0.655 -2.219) 3.112 12.497 ( -12.463 -11.429 1.765) 17.001 13.430 ( -29.624 18.081 27.467) 44.260 16.638 ( -1.411 -13.320 -4.314) 14.072 17.092 ( -9.891 -26.005 24.389) 36.999 18.162 ( -10.022 -13.972 15.452) 23.118 20.359 ( 1.122 -4.249 -39.445) 39.689 21.319 ( 13.690 4.539 -32.642) 35.687 22.583 ( 0.835 10.564 2.901) 10.987 23.081 ( -8.463 1.577 27.854) 29.154 24.049 ( -14.879 -0.523 -9.787) 17.817 24.926 ( 25.786 1.671 7.963) 27.039 26.164 ( -5.990 -4.558 -8.293) 11.199 26.508 ( -4.350 -5.601 1.654) 7.283 27.240 ( -0.343 -0.163 10.661) 10.668 27.450 ( -5.900 5.302 1.544) 8.082 28.067 ( 8.594 2.348 -0.764) 8.941 47.765 ( 4.858 -3.522 0.173) 6.003 47.934 ( -10.167 -6.684 -1.026) 12.211 49.012 ( 5.143 -2.240 3.067) 6.393 49.325 ( 0.505 8.249 -5.203) 9.766 49.560 ( 0.316 0.679 5.502) 5.552 50.669 ( -1.163 6.721 -0.040) 6.821 50.788 ( -5.061 -2.956 1.056) 5.955 51.520 ( 1.324 -2.685 -1.799) 3.493 ======================= Grid point 53 (45/186) ======================= q-point: ( 0.24 -0.04 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -24.432 11.552 18.644) 32.832 2.161 ( -34.361 18.440 7.919) 39.792 3.127 ( -47.786 18.340 12.518) 52.693 4.323 ( -8.974 5.267 5.478) 11.759 4.562 ( 1.495 2.318 -9.496) 9.889 5.423 ( -3.343 -2.527 -0.230) 4.197 5.978 ( -19.815 12.151 -3.192) 23.462 7.746 ( 11.300 -10.100 -15.994) 22.034 7.934 ( 8.685 2.508 -22.028) 23.810 8.198 ( 7.376 -8.058 1.054) 10.975 8.630 ( 7.411 8.875 9.896) 15.219 9.101 ( -1.639 -7.385 7.117) 10.386 12.086 ( -9.123 12.188 3.721) 15.672 12.571 ( -42.168 3.619 17.696) 45.873 16.572 ( 13.420 7.161 26.510) 30.564 16.670 ( 8.323 1.507 34.471) 35.494 17.619 ( -11.846 9.521 24.513) 28.842 20.711 ( -6.544 8.102 -53.210) 54.219 21.507 ( -0.891 -6.429 -61.888) 62.227 22.543 ( 6.681 -3.438 10.627) 13.015 23.133 ( -6.801 -3.776 32.749) 33.660 23.651 ( -7.385 6.875 -4.999) 11.260 25.318 ( -16.261 7.870 -11.234) 21.273 25.873 ( 13.484 4.873 5.342) 15.300 26.164 ( -3.366 -7.704 4.833) 9.697 27.273 ( 5.474 -2.504 1.820) 6.289 27.641 ( 12.129 -7.981 31.113) 34.335 28.324 ( 3.264 -1.698 0.907) 3.789 47.524 ( -6.027 3.037 5.657) 8.806 48.100 ( 2.113 7.780 1.687) 8.237 49.132 ( 5.193 -10.514 0.952) 11.765 49.280 ( 11.724 -1.416 4.310) 12.571 49.558 ( -1.938 -3.087 -1.252) 3.854 50.591 ( -2.224 0.718 0.191) 2.345 50.752 ( -8.594 2.233 -6.101) 10.774 51.452 ( -4.031 3.280 -2.424) 5.735 ======================= Grid point 54 (46/186) ======================= q-point: ( 0.24 -0.04 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -16.009 26.239 13.040) 33.389 1.833 ( -17.857 19.740 21.287) 34.084 3.344 ( -16.516 53.275 6.684) 56.176 4.328 ( -5.109 8.800 4.853) 11.273 4.590 ( -3.113 1.477 -7.576) 8.323 5.432 ( 2.974 3.892 -0.353) 4.911 5.933 ( -12.070 16.261 -3.582) 20.566 7.735 ( 8.779 -11.049 -15.370) 20.866 7.997 ( -0.027 -7.570 -20.999) 22.322 8.207 ( 6.283 -5.553 -1.083) 8.455 8.622 ( -8.976 -6.826 7.421) 13.499 9.108 ( 7.518 2.605 6.223) 10.101 12.039 ( -18.120 10.331 13.745) 24.980 12.329 ( 2.504 21.945 19.818) 29.676 16.651 ( -1.931 -4.299 9.967) 11.025 16.831 ( -7.336 -1.975 46.870) 47.481 17.627 ( -9.547 12.110 25.760) 30.023 20.415 ( -7.394 -3.541 -52.864) 53.496 21.579 ( 5.100 1.631 -56.215) 56.469 22.593 ( 3.529 -3.790 9.074) 10.448 22.989 ( 1.913 -0.492 35.209) 35.264 23.634 ( -5.581 6.233 -9.290) 12.502 25.508 ( -5.142 22.120 -14.984) 27.207 25.868 ( -5.499 -11.342 3.157) 12.994 26.198 ( 5.974 6.529 4.403) 9.884 27.331 ( 1.601 -0.833 -6.906) 7.138 27.598 ( 9.628 -17.219 41.536) 45.983 28.317 ( 1.760 -3.823 0.861) 4.295 47.531 ( -2.924 6.487 6.229) 9.457 48.008 ( -6.839 -5.992 1.340) 9.191 49.281 ( 9.512 -1.279 -3.349) 10.165 49.376 ( -0.938 -5.775 1.408) 6.018 49.535 ( 6.965 1.003 5.422) 8.883 50.590 ( -0.508 3.781 -7.126) 8.083 50.624 ( -3.990 2.013 1.379) 4.677 51.452 ( -3.281 4.059 -2.445) 5.763 ======================= Grid point 55 (47/186) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.223 34.590 -0.000) 34.590 0.812 ( 22.498 39.606 -0.000) 45.550 1.501 ( -12.253 73.414 -0.000) 74.429 4.122 ( -0.044 3.039 -0.000) 3.040 4.678 ( -0.307 -1.401 0.000) 1.434 5.434 ( -0.223 2.434 -0.000) 2.444 5.526 ( 0.362 11.257 -0.000) 11.263 8.326 ( 7.220 -5.959 0.000) 9.362 8.383 ( -9.164 -5.861 -0.000) 10.878 8.396 ( 3.049 -7.674 0.000) 8.258 8.443 ( -3.095 -3.301 0.000) 4.525 9.125 ( -0.475 1.211 -0.000) 1.301 11.559 ( 10.532 20.270 -0.000) 22.843 11.973 ( 0.137 3.344 -0.000) 3.346 15.324 ( -5.574 5.853 -0.000) 8.083 16.729 ( -0.346 -2.401 0.000) 2.426 17.069 ( -0.042 9.543 -0.000) 9.543 21.319 ( 9.874 -2.456 0.000) 10.175 22.241 ( 0.480 1.044 -0.000) 1.149 22.283 ( -0.444 5.185 -0.000) 5.204 22.822 ( 0.335 -7.145 0.000) 7.153 23.551 ( -1.239 3.407 -0.000) 3.625 25.604 ( -8.842 7.588 -0.000) 11.651 26.037 ( 0.059 -9.284 0.000) 9.284 26.140 ( -0.023 0.772 -0.000) 0.772 26.861 ( -0.017 2.318 -0.000) 2.318 27.457 ( 1.326 -0.498 0.000) 1.417 28.368 ( 0.033 -1.229 0.000) 1.229 47.234 ( 0.000 5.799 -0.000) 5.799 48.020 ( 1.803 -2.781 0.000) 3.314 49.363 ( -5.667 -0.308 -0.000) 5.675 49.491 ( -1.481 -7.925 0.000) 8.062 49.578 ( 1.541 0.199 0.000) 1.554 50.527 ( 0.012 1.183 -0.000) 1.183 50.742 ( 3.544 1.547 0.000) 3.867 51.347 ( -0.013 4.006 -0.000) 4.006 ======================= Grid point 56 (48/186) ======================= q-point: ( 0.05 -0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 15.218 29.927 -0.000) 33.574 2.076 ( 17.739 38.151 -0.000) 42.073 2.990 ( 22.776 53.154 -0.000) 57.828 4.271 ( 4.739 7.711 -0.000) 9.051 4.665 ( 2.834 -1.059 0.000) 3.026 5.421 ( -4.627 2.294 -0.000) 5.165 6.012 ( 12.692 19.110 -0.000) 22.940 8.043 ( -8.150 -11.712 0.000) 14.269 8.049 ( -13.540 -12.087 -0.000) 18.150 8.352 ( 12.327 -15.735 0.000) 19.988 8.389 ( 4.871 -5.839 0.000) 7.603 8.981 ( -12.409 3.425 -0.000) 12.873 12.138 ( 5.604 8.235 -0.000) 9.961 12.388 ( 4.232 43.822 -0.000) 44.026 15.746 ( 31.228 7.336 0.000) 32.078 16.603 ( -3.911 -5.842 0.000) 7.030 17.432 ( 10.638 15.070 -0.000) 18.446 21.439 ( 3.170 -1.039 0.000) 3.336 22.310 ( 5.236 -1.105 0.000) 5.351 22.406 ( -0.730 6.807 -0.000) 6.846 22.532 ( -16.455 -3.286 -0.000) 16.780 23.717 ( 6.719 7.491 -0.000) 10.062 25.602 ( 2.190 1.787 0.000) 2.827 25.796 ( 0.890 -14.916 0.000) 14.942 26.082 ( -6.979 1.114 -0.000) 7.067 26.937 ( 1.123 3.831 -0.000) 3.992 27.463 ( -1.189 0.665 -0.000) 1.363 28.314 ( -1.460 -2.816 0.000) 3.172 47.459 ( 5.823 10.288 -0.000) 11.822 48.083 ( 7.845 -2.145 0.000) 8.133 49.124 ( -9.113 -5.663 -0.000) 10.729 49.234 ( -2.745 -12.143 0.000) 12.450 49.572 ( -4.046 1.992 -0.000) 4.510 50.579 ( 1.513 2.113 -0.000) 2.599 50.837 ( -1.028 4.431 -0.000) 4.549 51.476 ( 3.411 4.246 -0.000) 5.446 ======================= Grid point 57 (49/186) ======================= q-point: ( 0.05 -0.05 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 14.873 22.426 -0.000) 26.910 3.092 ( 11.849 33.521 -0.000) 35.553 4.148 ( 9.934 20.699 -0.000) 22.960 4.601 ( 8.464 9.989 -0.000) 13.093 4.866 ( 13.920 7.225 0.000) 15.683 5.348 ( -5.672 0.965 -0.000) 5.753 6.580 ( 1.186 12.092 -0.000) 12.150 7.538 ( -12.123 -17.802 0.000) 21.538 7.564 ( -6.681 -5.200 -0.000) 8.466 8.171 ( 4.737 -15.257 0.000) 15.975 8.388 ( 5.531 -4.554 0.000) 7.164 8.879 ( -5.132 3.005 -0.000) 5.947 12.587 ( 15.182 17.076 -0.000) 22.849 13.408 ( 0.758 49.970 -0.000) 49.976 16.345 ( -4.368 -11.139 0.000) 11.965 16.743 ( 45.993 10.885 0.000) 47.263 18.056 ( 19.510 14.827 0.000) 24.505 21.277 ( -1.211 -19.738 0.000) 19.775 22.311 ( -20.957 25.427 -0.000) 32.950 22.360 ( 7.976 -8.453 0.000) 11.622 22.465 ( -5.496 4.527 -0.000) 7.120 24.052 ( 5.650 12.159 -0.000) 13.408 25.444 ( -4.699 -18.022 0.000) 18.625 25.775 ( 16.907 -3.776 0.000) 17.323 25.948 ( -6.196 -0.164 -0.000) 6.198 27.056 ( 1.008 5.849 -0.000) 5.935 27.445 ( -2.883 1.962 -0.000) 3.487 28.195 ( -3.234 -4.074 0.000) 5.201 47.852 ( 10.628 10.921 -0.000) 15.239 48.234 ( 8.250 0.926 0.000) 8.302 48.811 ( -6.562 -8.931 0.000) 11.082 48.942 ( -3.037 -9.702 0.000) 10.166 49.514 ( -7.003 3.825 -0.000) 7.979 50.627 ( -0.645 -0.221 -0.000) 0.682 50.904 ( -0.967 5.700 -0.000) 5.782 51.616 ( 3.554 1.916 0.000) 4.038 ======================= Grid point 58 (50/186) ======================= q-point: ( 0.05 -0.05 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 12.387 16.249 -0.000) 20.432 3.888 ( 10.925 21.404 -0.000) 24.031 4.430 ( -3.362 10.481 -0.000) 11.007 4.924 ( 7.039 4.333 0.000) 8.266 5.135 ( 5.424 -9.975 0.000) 11.354 5.244 ( -6.252 1.334 -0.000) 6.393 6.253 ( -23.295 -9.053 -0.000) 24.992 6.902 ( -13.822 -17.642 0.000) 22.411 7.857 ( 12.511 15.877 -0.000) 20.214 8.127 ( 7.681 0.623 0.000) 7.706 8.432 ( 5.576 -2.149 0.000) 5.976 8.823 ( -0.691 -3.632 0.000) 3.697 13.457 ( 26.910 25.493 0.000) 37.068 14.340 ( -4.792 44.888 -0.000) 45.143 16.012 ( -0.699 -15.029 0.000) 15.045 17.853 ( 39.116 5.686 0.000) 39.527 18.677 ( 22.617 1.157 0.000) 22.646 20.884 ( 4.457 -9.344 0.000) 10.352 22.191 ( -8.063 -9.414 0.000) 12.395 22.429 ( 5.569 -7.038 0.000) 8.975 22.616 ( -16.728 37.127 -0.000) 40.722 24.426 ( 4.095 15.574 -0.000) 16.104 24.822 ( -16.109 -23.472 0.000) 28.468 25.818 ( -4.143 -3.736 -0.000) 5.579 26.121 ( 25.549 -4.826 0.000) 26.001 27.209 ( 0.077 7.800 -0.000) 7.801 27.444 ( -2.674 3.956 -0.000) 4.775 28.031 ( -4.560 -4.387 -0.000) 6.328 48.214 ( 11.375 -1.860 0.000) 11.526 48.429 ( -1.683 8.534 -0.000) 8.699 48.547 ( 6.327 -13.194 0.000) 14.633 48.817 ( -1.075 5.523 -0.000) 5.627 49.461 ( -7.718 6.126 -0.000) 9.854 50.495 ( -6.720 -5.436 -0.000) 8.644 51.055 ( 3.730 5.852 -0.000) 6.940 51.678 ( 1.361 -0.907 0.000) 1.635 ======================= Grid point 59 (51/186) ======================= q-point: ( 0.05 -0.05 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 10.335 11.475 -0.000) 15.443 4.248 ( 3.249 -4.964 0.000) 5.933 4.638 ( -9.692 23.432 -0.000) 25.357 4.825 ( 5.061 -18.124 0.000) 18.817 4.957 ( -1.566 -6.199 0.000) 6.394 5.189 ( -5.976 2.342 -0.000) 6.418 5.730 ( -12.441 1.323 -0.000) 12.511 6.296 ( -12.849 -15.693 0.000) 20.282 8.330 ( 8.030 4.629 0.000) 9.269 8.395 ( 7.142 6.248 0.000) 9.489 8.567 ( 4.430 8.494 -0.000) 9.580 8.700 ( 1.289 -8.733 0.000) 8.827 14.443 ( 22.680 9.381 0.000) 24.544 14.990 ( -12.359 36.613 -0.000) 38.642 15.921 ( 16.557 1.439 0.000) 16.619 17.867 ( -10.165 -30.844 0.000) 32.475 19.373 ( 44.507 2.944 0.000) 44.604 21.385 ( 28.793 20.402 0.000) 35.289 21.690 ( -20.309 -10.972 -0.000) 23.083 22.385 ( 12.121 -15.604 0.000) 19.759 22.990 ( -18.576 33.239 -0.000) 38.077 23.855 ( -24.910 -30.822 0.000) 39.630 24.854 ( 5.694 16.983 -0.000) 17.912 25.588 ( -7.611 -7.769 0.000) 10.876 26.575 ( 26.287 -3.085 0.000) 26.468 27.345 ( -2.476 7.258 -0.000) 7.668 27.501 ( -1.402 5.583 -0.000) 5.756 27.827 ( -6.552 -5.073 -0.000) 8.286 48.212 ( 5.930 -10.887 0.000) 12.397 48.350 ( -4.969 1.086 -0.000) 5.086 48.701 ( 11.944 -0.645 0.000) 11.962 49.066 ( 1.131 10.628 -0.000) 10.688 49.504 ( -3.887 12.755 -0.000) 13.334 50.153 ( -10.045 -11.301 0.000) 15.119 51.261 ( 5.923 4.499 0.000) 7.438 51.631 ( -1.593 -3.424 0.000) 3.776 ======================= Grid point 60 (52/186) ======================= q-point: ( 0.05 -0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( -6.637 -15.911 0.000) 17.240 3.943 ( 10.558 4.928 0.000) 11.651 4.726 ( -7.273 -7.028 -0.000) 10.114 4.791 ( 9.553 2.765 0.000) 9.945 4.968 ( -3.061 14.814 -0.000) 15.127 5.081 ( -7.299 6.739 -0.000) 9.935 5.773 ( -9.638 -13.009 0.000) 16.190 5.858 ( 6.401 11.621 -0.000) 13.267 8.404 ( 4.204 -6.065 0.000) 7.380 8.510 ( 4.804 -10.428 0.000) 11.482 8.575 ( -2.579 0.485 -0.000) 2.624 8.850 ( -1.467 12.335 -0.000) 12.422 14.519 ( 7.932 -22.162 0.000) 23.538 15.274 ( -20.047 19.292 -0.000) 27.822 16.811 ( -20.455 -31.020 0.000) 37.157 16.857 ( 35.274 26.112 0.000) 43.887 20.334 ( 42.205 3.598 0.000) 42.359 20.958 ( -28.263 -12.848 -0.000) 31.046 22.261 ( 11.917 -21.602 0.000) 24.671 22.542 ( 36.262 23.916 0.000) 43.438 22.638 ( -28.054 -34.163 0.000) 44.206 23.169 ( -20.510 23.716 -0.000) 31.355 25.207 ( -11.384 -10.361 -0.000) 15.393 25.317 ( 6.225 16.277 -0.000) 17.426 26.995 ( 18.190 -1.687 0.000) 18.268 27.371 ( -9.359 6.029 -0.000) 11.133 27.560 ( -6.632 -7.277 0.000) 9.846 27.602 ( 1.159 4.745 -0.000) 4.884 48.122 ( 5.731 -8.904 0.000) 10.589 48.357 ( -1.003 5.603 -0.000) 5.692 48.904 ( 8.096 0.146 0.000) 8.097 49.139 ( -7.707 5.945 -0.000) 9.734 49.656 ( -10.761 -16.437 0.000) 19.647 49.839 ( 4.515 15.806 -0.000) 16.438 51.458 ( 6.231 2.530 0.000) 6.726 51.482 ( -4.103 -5.453 0.000) 6.824 ======================= Grid point 62 (53/186) ======================= q-point: ( 0.05 -0.05 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -6.816 -15.278 0.000) 16.729 4.087 ( 5.552 -14.954 0.000) 15.952 4.420 ( -8.551 -0.794 -0.000) 8.587 5.136 ( 3.403 7.185 -0.000) 7.950 5.175 ( -2.349 12.747 -0.000) 12.962 5.290 ( -1.692 20.764 -0.000) 20.833 5.448 ( 5.439 -5.842 0.000) 7.981 6.325 ( 13.049 13.827 -0.000) 19.013 8.282 ( 0.377 -10.178 0.000) 10.185 8.284 ( -4.612 -12.365 0.000) 13.197 8.506 ( -0.984 -2.905 0.000) 3.067 8.976 ( -5.897 8.215 -0.000) 10.112 14.115 ( 4.230 -29.141 0.000) 29.446 14.631 ( -29.989 -28.376 -0.000) 41.286 16.306 ( -12.402 12.409 -0.000) 17.544 17.957 ( 26.453 13.186 0.000) 29.557 20.023 ( -33.272 -18.903 -0.000) 38.267 21.182 ( 35.004 2.739 0.000) 35.111 21.499 ( -22.903 -19.754 -0.000) 30.245 22.011 ( 9.511 -25.775 0.000) 27.474 23.107 ( -19.187 13.032 -0.000) 23.194 23.715 ( 34.404 17.810 0.000) 38.740 24.749 ( -12.276 -10.380 -0.000) 16.076 25.729 ( 3.345 14.275 -0.000) 14.662 27.121 ( -20.182 1.160 -0.000) 20.215 27.173 ( 3.442 -2.415 0.000) 4.205 27.388 ( -0.619 -3.534 0.000) 3.588 27.762 ( 7.186 2.855 0.000) 7.732 48.087 ( 7.534 -8.155 0.000) 11.102 48.523 ( 0.013 11.183 -0.000) 11.183 48.946 ( -7.044 -7.139 0.000) 10.029 49.087 ( -11.375 9.269 -0.000) 14.673 49.167 ( 2.725 -12.995 0.000) 13.278 50.219 ( 5.767 10.669 -0.000) 12.128 51.258 ( -5.423 -6.925 0.000) 8.795 51.602 ( 4.907 0.290 0.000) 4.916 ======================= Grid point 63 (54/186) ======================= q-point: ( 0.05 -0.05 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -11.814 -15.301 0.000) 19.331 3.528 ( -11.331 -27.409 0.000) 29.659 4.392 ( -1.671 1.810 -0.000) 2.464 4.988 ( -9.782 -6.582 -0.000) 11.790 5.278 ( -2.357 7.924 -0.000) 8.267 5.554 ( -13.475 10.790 -0.000) 17.262 5.989 ( 21.504 13.059 0.000) 25.159 6.923 ( 17.018 15.581 0.000) 23.074 7.841 ( -12.932 -11.423 -0.000) 17.255 8.114 ( 3.923 -6.169 0.000) 7.311 8.455 ( 2.273 -3.583 0.000) 4.244 8.972 ( -6.820 4.583 -0.000) 8.217 13.413 ( -25.107 -30.403 0.000) 39.430 13.504 ( -4.150 -31.895 0.000) 32.164 16.438 ( -8.428 16.985 -0.000) 18.962 18.117 ( -9.108 -19.366 0.000) 21.401 18.936 ( -25.300 -24.468 -0.000) 35.197 21.146 ( 0.467 4.542 -0.000) 4.565 21.685 ( 4.826 -16.483 0.000) 17.175 21.826 ( 24.801 0.659 0.000) 24.810 22.919 ( -16.297 4.768 -0.000) 16.980 24.330 ( -10.367 -8.091 -0.000) 13.151 24.643 ( 30.029 9.308 0.000) 31.439 25.997 ( -2.456 10.997 -0.000) 11.268 26.716 ( -21.642 1.418 -0.000) 21.688 27.107 ( -2.276 -3.040 0.000) 3.798 27.336 ( 0.595 -1.465 0.000) 1.581 27.975 ( 7.803 2.632 0.000) 8.235 48.074 ( 8.344 -9.568 0.000) 12.695 48.409 ( -15.501 -12.436 -0.000) 19.874 48.806 ( 3.452 10.832 -0.000) 11.369 49.094 ( -11.282 14.715 -0.000) 18.542 49.186 ( 7.975 -3.942 0.000) 8.896 50.486 ( 4.850 5.191 -0.000) 7.105 51.000 ( -5.227 -7.618 0.000) 9.239 51.658 ( 2.154 -1.917 0.000) 2.884 ======================= Grid point 64 (55/186) ======================= q-point: ( 0.05 -0.05 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -19.738 -16.159 -0.000) 25.509 2.634 ( -18.090 -30.710 0.000) 35.642 4.300 ( -15.610 -0.400 -0.000) 15.615 4.618 ( -11.084 -8.287 -0.000) 13.839 5.056 ( -26.004 -11.764 -0.000) 28.541 5.375 ( -2.838 6.808 -0.000) 7.376 6.402 ( 0.540 -4.555 0.000) 4.586 7.569 ( 2.496 4.658 -0.000) 5.284 7.575 ( 15.727 13.467 0.000) 20.705 8.273 ( 16.037 -1.083 0.000) 16.074 8.445 ( 2.721 -2.622 0.000) 3.779 8.911 ( -9.087 6.621 -0.000) 11.243 12.531 ( -14.235 -17.002 0.000) 22.175 12.695 ( -14.669 -27.472 0.000) 31.143 16.584 ( -4.315 9.940 -0.000) 10.836 17.101 ( -27.395 -32.320 0.000) 42.368 18.093 ( -17.753 -19.182 0.000) 26.136 21.145 ( 9.478 -16.515 0.000) 19.042 21.889 ( 8.738 19.725 -0.000) 21.574 22.189 ( 12.642 -2.165 0.000) 12.826 22.671 ( -11.945 -0.453 -0.000) 11.954 24.004 ( -8.293 -6.076 -0.000) 10.281 25.308 ( 23.778 3.443 0.000) 24.026 26.088 ( -5.777 7.484 -0.000) 9.455 26.325 ( -21.129 2.636 -0.000) 21.293 27.010 ( -2.520 -1.568 -0.000) 2.968 27.351 ( 2.215 -0.131 0.000) 2.219 28.169 ( 5.901 2.680 0.000) 6.481 47.874 ( -13.412 -10.777 -0.000) 17.205 48.034 ( 7.166 -9.597 0.000) 11.977 49.098 ( 4.638 8.901 -0.000) 10.037 49.219 ( -8.161 16.222 -0.000) 18.159 49.294 ( 6.665 0.402 0.000) 6.677 50.629 ( 2.451 1.978 0.000) 3.149 50.760 ( -3.208 -7.142 0.000) 7.830 51.610 ( -1.369 -3.544 0.000) 3.800 ======================= Grid point 65 (56/186) ======================= q-point: ( 0.05 -0.05 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -28.738 -15.183 -0.000) 32.502 1.613 ( -26.159 -24.447 -0.000) 35.804 3.267 ( -60.034 -19.660 -0.000) 63.171 4.277 ( -8.053 -4.787 -0.000) 9.368 4.678 ( 0.173 -3.105 0.000) 3.109 5.432 ( -3.329 4.972 -0.000) 5.983 5.971 ( -15.551 -12.546 -0.000) 19.981 7.998 ( 14.131 11.443 0.000) 18.183 8.040 ( 10.585 6.679 0.000) 12.516 8.449 ( 2.983 -2.936 0.000) 4.186 8.464 ( 14.394 -14.406 0.000) 20.365 8.983 ( -6.309 16.591 -0.000) 17.750 11.931 ( -21.362 -8.832 -0.000) 23.116 12.115 ( -6.579 -5.434 -0.000) 8.533 15.985 ( -19.088 -28.532 0.000) 34.328 16.671 ( 0.298 3.128 -0.000) 3.143 17.441 ( -15.761 -10.761 -0.000) 19.085 21.102 ( 9.167 -4.365 0.000) 10.153 22.272 ( 2.384 -3.153 0.000) 3.952 22.444 ( -8.329 -1.523 -0.000) 8.467 22.476 ( 11.085 14.601 -0.000) 18.332 23.735 ( -7.123 -5.079 -0.000) 8.748 25.760 ( 17.168 0.847 0.000) 17.189 25.964 ( -17.559 -0.114 -0.000) 17.560 26.117 ( -3.409 5.176 -0.000) 6.198 26.931 ( -3.067 -0.888 -0.000) 3.193 27.405 ( 2.026 0.863 0.000) 2.202 28.308 ( 3.378 1.541 0.000) 3.713 47.460 ( -10.463 -5.872 -0.000) 11.998 47.995 ( 5.649 -6.662 0.000) 8.734 49.328 ( 9.392 0.147 0.000) 9.393 49.365 ( -4.485 9.376 -0.000) 10.393 49.465 ( 1.856 6.816 -0.000) 7.065 50.589 ( -2.901 -2.474 -0.000) 3.812 50.696 ( 1.488 0.441 0.000) 1.552 51.476 ( -4.208 -3.370 -0.000) 5.391 ======================= Grid point 67 (57/186) ======================= q-point: (-0.15 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -15.608 -29.773 -20.528) 39.388 1.172 ( 4.904 -25.936 -29.101) 39.289 1.874 ( 5.504 -51.632 -36.262) 63.333 4.171 ( 0.071 -1.952 -2.940) 3.529 4.595 ( 0.160 1.913 7.942) 8.171 5.392 ( 0.373 -3.002 4.244) 5.211 5.487 ( -0.566 -12.046 3.901) 12.674 8.003 ( -1.510 5.496 18.641) 19.493 8.061 ( 2.693 3.096 22.522) 22.893 8.354 ( -0.151 1.757 6.832) 7.056 8.657 ( -0.925 4.743 -12.064) 12.995 8.993 ( 0.033 -17.092 1.688) 17.175 11.691 ( -4.349 -8.870 -15.231) 18.154 11.861 ( 1.974 -23.481 -18.148) 29.743 16.758 ( 0.235 3.547 -3.026) 4.668 17.055 ( 0.755 3.236 -11.308) 11.786 17.996 ( 2.631 89.037 -110.579) 141.993 20.461 ( -7.270 -1.032 60.081) 60.528 21.478 ( 2.197 -9.881 68.342) 69.087 22.757 ( 0.244 8.812 -17.918) 19.969 23.025 ( -2.793 -5.072 -32.380) 32.894 23.458 ( 0.204 -3.140 8.873) 9.415 24.440 ( 4.024 -64.311 18.459) 67.029 26.073 ( -0.015 8.971 -3.513) 9.634 26.188 ( 0.033 -2.214 -3.401) 4.059 27.363 ( 0.224 1.131 8.284) 8.364 28.386 ( 0.095 2.850 -2.838) 4.023 28.484 ( 0.186 54.959 -52.860) 76.255 47.573 ( 0.393 15.161 -20.605) 25.585 48.037 ( -1.924 2.949 -1.645) 3.886 49.371 ( 3.958 0.445 -0.665) 4.038 49.499 ( -1.229 6.686 -0.465) 6.814 49.574 ( 2.513 0.261 -0.217) 2.536 50.323 ( -3.492 -27.432 22.615) 35.723 50.556 ( -0.065 -1.283 -2.761) 3.045 51.329 ( -0.015 -3.746 1.775) 4.145 ======================= Grid point 70 (58/186) ======================= q-point: (-0.15 -0.05 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 17.835 14.134 -9.483) 24.653 2.717 ( 16.846 29.464 -8.069) 34.886 4.200 ( 13.700 0.232 8.738) 16.251 4.604 ( 8.720 7.393 2.520) 11.707 5.088 ( 26.770 8.774 -4.347) 28.505 5.437 ( 4.389 -2.938 -5.128) 7.361 6.390 ( 1.649 5.245 1.376) 5.668 7.278 ( -10.469 -10.968 14.830) 21.209 7.751 ( -6.565 -4.555 2.149) 8.274 8.008 ( -3.473 -2.876 7.776) 8.989 8.643 ( -10.216 8.123 -7.751) 15.180 8.974 ( 3.949 -8.276 -5.453) 10.669 12.659 ( 11.262 19.497 -13.280) 26.140 12.872 ( 18.110 20.014 -16.645) 31.711 16.588 ( 3.447 -8.209 -0.949) 8.954 17.425 ( 19.391 24.453 -24.673) 39.783 18.240 ( 17.534 19.527 -17.685) 31.646 20.626 ( -4.781 21.165 45.271) 50.203 21.319 ( -5.638 -14.292 35.290) 38.489 22.432 ( -2.516 -7.446 -0.856) 7.906 23.009 ( 0.750 3.368 -32.720) 32.902 23.885 ( 7.367 5.406 10.985) 14.288 25.357 ( -19.565 -3.466 -4.520) 20.377 26.036 ( 6.071 -2.698 3.492) 7.505 26.351 ( 17.155 -0.094 -2.388) 17.321 27.216 ( 0.256 -7.609 -10.363) 12.859 27.341 ( -4.308 2.022 -5.055) 6.943 28.167 ( -6.179 -2.787 0.210) 6.782 47.846 ( 10.924 8.582 2.447) 14.106 48.049 ( -6.294 9.872 -1.348) 11.785 49.037 ( -0.750 -11.884 3.721) 12.475 49.268 ( -3.618 -2.091 -3.222) 5.277 49.374 ( 1.430 -9.958 -7.123) 12.327 50.597 ( -1.825 -1.394 3.097) 3.856 50.787 ( 3.405 6.818 -2.554) 8.037 51.584 ( 1.584 3.486 2.517) 4.582 ======================= Grid point 71 (59/186) ======================= q-point: (-0.15 -0.05 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 11.142 14.091 -4.386) 18.492 3.578 ( 10.902 26.625 -4.918) 29.188 4.295 ( 2.550 -1.528 8.635) 9.133 4.953 ( 10.028 5.602 3.094) 11.896 5.293 ( 2.772 -6.731 -1.892) 7.521 5.617 ( 9.942 -10.000 -4.989) 14.958 6.019 ( -18.941 -14.625 -2.289) 24.039 6.818 ( -14.397 -12.071 9.417) 21.016 7.896 ( 12.060 9.464 -2.529) 15.537 8.013 ( 1.680 6.218 4.827) 8.049 8.567 ( -7.841 4.430 -7.892) 11.974 8.953 ( 5.195 -4.812 1.692) 7.281 13.458 ( 18.160 30.393 -5.786) 35.875 13.668 ( 10.625 28.307 -14.571) 33.564 16.462 ( 8.396 -16.109 -2.887) 18.394 18.124 ( 1.832 11.401 2.498) 11.814 19.134 ( 26.468 25.821 -20.331) 42.198 20.911 ( -3.809 5.351 40.183) 40.717 21.096 ( -1.128 14.514 10.874) 18.171 22.167 ( -10.893 -4.380 -4.676) 12.637 23.105 ( 7.500 -3.272 -19.453) 21.103 24.112 ( 3.235 1.973 15.968) 16.411 24.829 ( -20.673 -3.805 -12.699) 24.559 25.972 ( 2.096 -10.558 2.253) 10.998 26.737 ( 16.786 2.924 -0.470) 17.046 27.155 ( 2.380 -1.480 -4.318) 5.148 27.344 ( 0.413 1.408 -1.781) 2.308 27.967 ( -7.950 -2.729 0.766) 8.440 48.050 ( -6.745 8.697 2.455) 11.276 48.357 ( 13.665 10.352 4.378) 17.694 48.790 ( -2.960 -8.301 0.818) 8.851 49.156 ( 4.155 -8.553 -4.418) 10.485 49.247 ( -2.151 -1.630 -6.315) 6.868 50.466 ( -4.549 -5.257 1.948) 7.219 51.020 ( 4.993 7.393 -1.878) 9.117 51.639 ( -1.647 1.878 1.852) 3.109 ======================= Grid point 72 (60/186) ======================= q-point: (-0.15 -0.05 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 6.630 14.453 -1.802) 16.003 4.092 ( -7.293 13.038 -0.409) 14.945 4.385 ( 11.410 3.165 2.843) 12.178 5.087 ( 3.565 -14.298 4.910) 15.532 5.155 ( -5.639 -6.635 -1.628) 8.859 5.413 ( -0.441 -19.918 -7.453) 21.272 5.452 ( -3.302 5.829 -0.591) 6.725 6.293 ( -11.770 -12.951 2.988) 17.753 8.240 ( 0.590 10.604 2.095) 10.825 8.322 ( 7.136 10.089 -2.160) 12.545 8.538 ( -2.955 3.380 -2.796) 5.289 8.941 ( 5.161 -7.413 3.253) 9.601 14.224 ( -6.877 32.898 -10.435) 35.191 14.698 ( 32.404 27.086 -5.496) 42.589 16.313 ( 12.033 -16.394 -2.265) 20.461 17.770 ( -27.351 -16.303 18.296) 36.723 20.197 ( 31.895 16.656 -15.491) 39.175 20.995 ( -21.530 12.959 14.480) 29.002 21.542 ( 16.759 20.876 -2.925) 26.930 21.997 ( -12.391 16.233 3.153) 20.664 23.150 ( 14.534 -14.775 -4.680) 21.247 23.669 ( -27.038 -17.465 4.534) 32.506 24.799 ( 7.816 9.159 -4.689) 12.921 25.709 ( -3.071 -14.032 1.986) 14.501 27.123 ( 10.301 5.728 1.783) 11.921 27.200 ( 3.893 -0.640 -3.525) 5.290 27.388 ( 1.375 0.643 -0.854) 1.742 27.748 ( -7.301 -3.177 1.349) 8.076 48.078 ( -6.212 7.784 0.919) 10.001 48.508 ( 1.155 -10.758 1.532) 10.928 48.881 ( 7.596 9.145 4.728) 12.794 49.094 ( -0.260 -2.386 -1.593) 2.881 49.266 ( 4.983 4.336 -7.207) 9.776 50.203 ( -5.448 -10.736 1.590) 12.144 51.267 ( 4.969 6.729 -0.851) 8.408 51.594 ( -4.197 -0.332 0.708) 4.269 ======================= Grid point 73 (61/186) ======================= q-point: (-0.15 -0.05 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -2.959 8.751 2.692) 9.622 3.984 ( -1.393 1.816 -2.544) 3.422 4.674 ( -0.401 1.733 3.647) 4.058 4.780 ( -0.557 0.026 1.389) 1.496 5.009 ( 2.891 -10.377 -3.760) 11.409 5.143 ( 6.326 -7.944 -4.575) 11.138 5.733 ( 2.167 8.393 3.067) 9.195 5.886 ( 0.972 -7.517 -2.043) 7.850 8.385 ( -4.927 7.032 1.399) 8.700 8.541 ( -2.989 7.838 -2.606) 8.784 8.561 ( 1.456 -0.208 1.306) 1.967 8.831 ( 1.641 -10.839 1.790) 11.108 14.620 ( -12.293 24.365 -9.945) 29.047 15.463 ( 22.840 -18.262 -17.144) 33.898 16.543 ( -14.753 2.571 20.227) 25.168 16.769 ( 1.287 -1.744 12.346) 12.535 20.424 ( -37.890 -0.160 -7.955) 38.716 21.062 ( 26.860 8.155 -9.193) 29.537 22.158 ( -16.584 24.239 9.011) 30.721 22.408 ( -19.254 7.920 7.999) 22.303 22.789 ( 11.196 0.924 -9.442) 14.675 23.135 ( 21.232 -23.598 3.432) 31.928 25.184 ( 5.817 7.075 2.056) 9.387 25.335 ( -0.882 -12.567 -1.531) 12.690 27.044 ( -16.978 2.296 -4.667) 17.757 27.392 ( 6.971 -5.002 -1.767) 8.760 27.527 ( 7.587 7.517 3.079) 11.115 27.578 ( -0.714 -5.767 2.184) 6.207 48.125 ( -5.383 8.081 -0.370) 9.717 48.353 ( 1.620 -5.449 0.457) 5.703 48.915 ( -8.131 0.311 -0.961) 8.194 49.132 ( 7.054 -4.230 0.750) 8.260 49.642 ( 6.410 12.926 1.457) 14.501 49.850 ( -0.571 -13.464 -1.188) 13.528 51.442 ( -4.020 1.112 1.105) 4.315 51.498 ( 1.937 1.609 -1.146) 2.767 ======================= Grid point 75 (62/186) ======================= q-point: (-0.15 -0.05 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -10.345 -10.344 -0.315) 14.633 4.185 ( -4.546 2.980 5.746) 7.910 4.656 ( 9.096 -23.332 -1.800) 25.107 4.735 ( -3.805 15.151 5.176) 16.456 5.067 ( -0.678 10.949 -7.141) 13.090 5.255 ( 8.710 -2.928 -5.668) 10.796 5.692 ( 10.554 -0.179 3.442) 11.102 6.289 ( 13.637 13.506 0.990) 19.219 8.272 ( -9.700 -4.139 4.327) 11.399 8.402 ( -6.496 -11.129 -0.783) 12.910 8.645 ( -2.000 -2.849 -6.235) 7.141 8.678 ( -1.563 8.436 2.145) 8.844 14.448 ( -27.430 -10.386 -0.522) 29.335 15.138 ( 7.444 -36.025 -11.190) 38.450 15.868 ( -9.555 2.852 1.154) 10.038 17.710 ( 13.467 29.351 15.186) 35.685 19.574 ( -41.085 -2.112 -18.203) 44.986 21.329 ( -24.781 -16.982 3.842) 30.286 21.698 ( 9.270 -0.339 0.036) 9.277 22.190 ( -12.061 9.518 17.659) 23.407 23.091 ( 19.220 -18.204 -8.796) 27.896 23.783 ( 22.839 23.607 6.897) 33.563 24.894 ( -4.845 -11.292 -3.437) 12.759 25.589 ( 8.579 6.531 -0.182) 10.784 26.664 ( -24.049 3.098 -8.138) 25.577 27.366 ( 2.391 -7.060 -1.986) 7.714 27.466 ( 1.412 -5.471 3.307) 6.547 27.808 ( 6.621 5.482 1.834) 8.789 48.155 ( -5.847 6.356 4.251) 9.626 48.392 ( 5.874 0.467 -2.830) 6.536 48.726 ( -12.155 2.637 -2.577) 12.702 49.061 ( -1.666 -10.221 0.603) 10.373 49.511 ( 3.542 -10.585 -0.580) 11.177 50.149 ( 10.425 10.087 0.385) 14.511 51.270 ( -5.829 -4.104 -0.847) 7.179 51.618 ( 1.350 2.917 1.260) 3.452 ======================= Grid point 76 (63/186) ======================= q-point: (-0.15 -0.05 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -11.793 -14.900 -3.141) 19.260 3.872 ( -12.127 -16.416 2.525) 20.565 4.368 ( 3.818 -14.361 3.882) 15.359 4.834 ( -7.402 -0.094 6.519) 9.864 5.214 ( -2.672 1.828 -7.048) 7.756 5.349 ( 4.547 1.564 -7.545) 8.947 6.218 ( 22.099 10.960 3.401) 24.901 6.848 ( 13.475 13.000 5.288) 19.456 7.868 ( -11.971 -11.628 2.202) 16.833 7.996 ( -9.502 -6.124 3.968) 11.980 8.625 ( -4.523 5.894 -12.204) 14.287 8.806 ( 2.498 3.213 0.760) 4.140 13.431 ( -28.226 -22.687 1.745) 36.256 14.472 ( 3.532 -42.986 -12.328) 44.858 16.036 ( 0.669 14.736 -2.953) 15.043 17.923 ( -27.904 0.531 -3.113) 28.082 18.851 ( -25.203 -3.306 -18.224) 31.277 20.741 ( -8.657 4.929 13.373) 16.676 21.637 ( -3.231 -13.750 35.898) 38.577 22.263 ( 7.214 1.156 10.380) 12.694 23.145 ( 11.123 -7.859 -29.634) 32.614 24.210 ( 1.777 -8.716 16.893) 19.092 24.959 ( 8.363 16.244 -9.146) 20.432 25.824 ( 5.246 3.196 -0.540) 6.167 26.262 ( -22.074 4.311 -12.508) 25.735 27.234 ( 0.831 -7.514 -1.706) 7.750 27.424 ( 2.544 -2.846 1.060) 3.962 28.020 ( 4.601 4.735 1.025) 6.681 48.110 ( -9.510 1.386 7.996) 12.502 48.430 ( 1.581 -8.106 -0.102) 8.259 48.656 ( -7.674 11.761 -8.467) 16.398 48.829 ( 1.797 -3.805 -1.293) 4.403 49.480 ( 6.863 -5.513 -1.726) 8.971 50.482 ( 7.020 4.942 1.260) 8.677 51.070 ( -3.840 -5.622 -1.494) 6.971 51.653 ( -1.561 0.690 2.440) 2.978 ======================= Grid point 77 (64/186) ======================= q-point: (-0.15 -0.05 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -13.422 -19.787 -8.435) 25.354 3.129 ( -12.805 -30.459 -3.148) 33.190 4.095 ( -6.124 -18.538 4.176) 19.965 4.591 ( -6.528 -5.199 4.215) 9.349 4.882 ( -15.370 -13.601 -5.676) 21.294 5.417 ( 3.338 -1.878 -5.145) 6.414 6.557 ( -1.502 -12.802 2.058) 13.053 7.253 ( 10.036 11.621 15.039) 21.493 7.743 ( 5.839 8.294 5.709) 11.640 7.889 ( -1.944 7.749 3.624) 8.773 8.655 ( -9.099 9.414 -10.221) 16.610 8.932 ( 8.416 -0.534 -6.935) 10.918 12.593 ( -17.553 -14.178 -2.880) 22.747 13.559 ( -1.089 -48.402 -14.553) 50.555 16.355 ( 3.269 11.707 -0.682) 12.174 17.105 ( -36.575 -4.574 -29.231) 47.044 18.205 ( -19.261 -14.611 -16.803) 29.442 20.936 ( -7.985 11.283 32.123) 34.971 21.332 ( 10.661 -12.153 53.262) 55.661 22.398 ( 4.512 0.809 2.541) 5.241 23.175 ( 5.963 -6.676 -35.062) 36.186 23.952 ( -3.623 -11.119 8.924) 14.711 25.401 ( 0.935 12.872 1.469) 12.989 25.882 ( -11.305 4.552 -5.134) 13.224 26.055 ( 3.663 -0.988 -11.078) 11.710 27.159 ( 1.319 -0.655 -5.817) 6.001 27.455 ( 3.910 -0.268 -4.088) 5.663 28.193 ( 3.362 4.410 0.250) 5.551 47.817 ( -9.061 -8.501 3.035) 12.790 48.249 ( -7.339 -1.662 -1.434) 7.660 48.823 ( 7.081 6.139 -1.296) 9.461 49.005 ( 1.848 11.596 -5.896) 13.140 49.520 ( 5.851 -3.586 -0.572) 6.886 50.619 ( 1.640 0.050 1.064) 1.956 50.906 ( -0.486 -6.315 -0.396) 6.346 51.587 ( -3.550 -1.877 2.831) 4.913 ======================= Grid point 79 (65/186) ======================= q-point: (-0.34 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -0.450 -16.310 -18.399) 24.591 2.528 ( -9.579 -22.629 -9.748) 26.436 4.063 ( -2.412 -23.598 8.081) 25.059 4.284 ( 3.206 -3.825 7.931) 9.371 4.947 ( 5.503 -31.460 -19.604) 37.474 5.548 ( 0.663 -8.508 1.874) 8.737 6.202 ( -4.342 -23.060 2.166) 23.565 7.316 ( 1.373 11.413 17.033) 20.549 7.440 ( 0.998 6.228 10.893) 12.587 8.111 ( 1.346 1.302 8.656) 8.856 8.530 ( -0.543 14.312 -12.818) 19.220 9.203 ( -0.975 4.229 -0.792) 4.411 12.376 ( 1.675 -6.048 -20.079) 21.037 13.731 ( -12.987 -38.050 -29.721) 49.998 16.468 ( 7.650 10.736 3.707) 13.694 17.246 ( 6.478 2.319 -22.980) 23.988 18.439 ( 1.792 -1.945 -45.705) 45.782 19.441 ( -12.029 -4.022 47.662) 49.320 20.472 ( 3.510 -8.891 58.942) 59.713 22.705 ( 2.575 6.053 -11.105) 12.907 23.480 ( 0.081 -12.908 16.708) 21.114 23.816 ( -8.777 -0.068 -27.005) 28.395 25.550 ( 6.965 14.471 -4.410) 16.654 25.697 ( -1.936 -9.994 -1.966) 10.367 26.422 ( 1.094 -3.219 -1.634) 3.773 27.208 ( 1.676 -5.330 4.921) 7.445 27.901 ( -0.153 18.216 -17.634) 25.353 28.248 ( -0.541 7.326 -0.446) 7.359 47.713 ( 3.143 -2.670 -3.139) 5.183 47.895 ( -6.443 3.625 -2.285) 7.738 49.217 ( 2.162 8.817 -6.783) 11.332 49.335 ( 2.414 1.198 0.454) 2.733 49.590 ( 4.936 -0.468 -0.513) 4.985 50.650 ( -1.594 -6.848 4.028) 8.104 50.739 ( -4.378 -4.373 -2.357) 6.622 51.408 ( 0.161 -2.165 4.704) 5.181 ======================= Grid point 80 (66/186) ======================= q-point: (-0.34 -0.06 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 14.121 -21.795 -17.452) 31.289 2.311 ( 12.190 -14.199 -23.215) 29.819 3.471 ( 8.965 -33.762 -4.405) 35.208 4.319 ( 2.284 0.327 9.774) 10.043 4.600 ( 7.295 -17.838 -14.262) 23.975 5.406 ( 0.894 -5.902 2.488) 6.467 5.842 ( 11.511 -18.340 4.792) 22.177 7.420 ( -7.812 8.817 15.516) 19.481 7.582 ( -1.203 4.135 18.275) 18.775 8.110 ( -2.278 1.497 9.098) 9.497 8.796 ( 4.208 6.765 -9.016) 12.032 9.177 ( -2.203 -2.328 -1.609) 3.586 12.493 ( 21.089 -3.565 -29.714) 36.611 12.863 ( -6.123 -26.991 -32.114) 42.394 16.702 ( -1.384 4.606 -1.096) 4.933 17.381 ( 5.942 -5.796 -10.718) 13.556 18.639 ( 1.468 8.088 -52.463) 53.103 19.263 ( 8.753 -1.529 58.740) 59.408 20.348 ( -0.170 -7.449 56.264) 56.755 22.835 ( -6.762 9.190 -16.601) 20.144 23.293 ( 0.987 -6.088 15.541) 16.720 23.732 ( 2.593 1.190 -27.928) 28.074 25.376 ( 7.011 -23.047 0.479) 24.095 25.974 ( 4.724 13.463 -6.651) 15.742 26.294 ( -5.171 -5.329 -4.164) 8.513 27.146 ( -0.311 -2.216 10.434) 10.671 28.233 ( -11.490 22.898 -19.282) 32.064 28.348 ( -3.533 5.934 -3.579) 7.779 47.673 ( -2.206 -0.504 -7.166) 7.515 48.046 ( 7.269 6.777 -2.326) 10.207 49.222 ( -10.507 1.333 2.322) 10.842 49.421 ( 1.658 5.156 -2.991) 6.187 49.656 ( -4.591 -2.042 -6.404) 8.140 50.409 ( 4.111 -7.952 8.852) 12.589 50.696 ( 3.007 -2.488 -4.424) 5.900 51.380 ( 2.958 -3.633 4.591) 6.559 ======================= Grid point 81 (67/186) ======================= q-point: (-0.34 -0.06 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 20.895 -6.105 -18.779) 28.749 2.367 ( 24.541 -19.556 -12.384) 33.735 3.403 ( 32.724 -9.150 -12.223) 36.111 4.322 ( -1.591 -1.857 13.212) 13.437 4.535 ( 13.677 -7.113 -16.567) 22.630 5.392 ( 5.709 -1.376 3.190) 6.683 5.896 ( 21.706 -11.435 4.486) 24.940 7.409 ( -10.084 8.363 17.175) 21.601 7.556 ( -5.003 0.630 15.071) 15.893 8.102 ( -2.510 2.617 9.704) 10.359 8.820 ( -6.933 -3.697 -8.883) 11.859 9.184 ( 3.731 1.940 -1.728) 4.547 12.412 ( 1.678 -13.543 -26.674) 29.962 13.064 ( 38.486 -2.591 -30.169) 48.970 16.620 ( -11.461 2.499 1.194) 11.791 17.299 ( 0.081 -5.847 -13.950) 15.126 18.539 ( -8.393 -2.627 -45.322) 46.167 19.599 ( 14.678 -9.636 54.304) 57.073 20.214 ( 1.328 1.949 55.323) 55.374 22.792 ( -11.209 6.452 -15.974) 20.553 23.292 ( 6.423 -1.475 14.423) 15.857 23.897 ( 5.545 -0.973 -25.632) 26.243 25.249 ( 17.282 -8.234 -2.265) 19.277 26.001 ( -11.936 -5.127 -6.583) 14.563 26.277 ( 4.610 6.006 -6.639) 10.070 27.124 ( 0.536 0.572 11.408) 11.435 28.234 ( -23.452 11.835 -21.358) 33.856 28.349 ( -4.788 2.923 -1.690) 5.859 47.650 ( -0.690 1.434 -6.252) 6.451 48.147 ( -1.972 -7.446 -2.838) 8.209 49.162 ( -3.974 12.519 -1.969) 13.281 49.392 ( -10.508 -0.340 -6.497) 12.359 49.530 ( 1.367 0.459 1.319) 1.954 50.511 ( 9.699 -1.546 6.864) 11.982 50.724 ( 5.543 -3.867 -2.936) 7.369 51.380 ( 3.510 -2.906 4.597) 6.473 ======================= Grid point 84 (68/186) ======================= q-point: (-0.34 -0.06 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 5.007 8.711 -7.462) 12.515 3.467 ( 5.237 16.332 -6.827) 18.459 4.205 ( 6.208 2.215 6.610) 9.335 4.928 ( 4.372 7.311 2.722) 8.943 5.639 ( 4.270 -11.350 -4.778) 13.034 5.928 ( -0.946 -18.488 2.935) 18.744 6.311 ( -6.877 -17.182 2.443) 18.668 6.620 ( 3.629 -7.700 4.012) 9.411 7.747 ( 0.235 12.968 0.460) 12.978 8.097 ( 6.418 4.500 -6.709) 10.317 8.286 ( -12.256 11.522 -2.809) 17.054 8.969 ( 1.630 -0.062 7.259) 7.440 13.134 ( 0.131 24.735 -7.972) 25.989 14.346 ( 25.789 -3.050 -25.575) 36.448 16.705 ( -4.288 10.791 5.121) 12.691 17.728 ( -6.552 0.192 6.271) 9.072 19.293 ( 3.196 33.045 -23.291) 40.554 19.762 ( 7.334 15.473 33.661) 37.766 20.672 ( -3.197 11.520 11.148) 16.346 22.357 ( -3.565 -14.070 -4.857) 15.306 23.653 ( 5.301 -2.900 -14.853) 16.035 24.034 ( 7.407 -7.777 6.830) 12.728 24.722 ( -12.105 3.645 -10.078) 16.167 26.098 ( -0.114 -4.661 4.612) 6.558 26.546 ( 1.980 6.432 13.412) 15.006 27.409 ( -0.074 -2.270 -6.484) 6.870 27.593 ( 9.387 -3.349 -3.987) 10.735 27.797 ( -9.758 -1.526 1.288) 9.960 47.781 ( -3.169 5.484 -0.751) 6.378 48.247 ( 8.446 11.703 4.871) 15.232 48.917 ( -1.465 -10.020 2.561) 10.446 49.095 ( -5.531 -0.558 -2.148) 5.959 49.628 ( 0.157 -3.600 -5.184) 6.313 50.524 ( 0.992 -8.296 1.020) 8.417 51.026 ( 4.219 5.883 -1.790) 7.457 51.509 ( -2.058 3.143 0.820) 3.846 ======================= Grid point 85 (69/186) ======================= q-point: ( 0.66 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -0.779 11.415 -2.920) 11.808 3.729 ( -6.003 12.311 -2.340) 13.895 4.490 ( 9.872 7.370 -0.105) 12.320 4.947 ( -19.686 -2.115 3.087) 20.038 5.339 ( 6.836 -7.276 3.608) 10.615 5.714 ( 12.071 -16.585 -3.015) 20.733 5.780 ( -9.725 -13.915 2.564) 17.169 6.456 ( 2.910 -15.317 -5.134) 16.414 7.916 ( -8.519 13.124 -0.866) 15.671 8.204 ( -8.894 10.831 -4.567) 14.740 8.499 ( 9.622 5.788 0.186) 11.230 9.022 ( 4.611 -3.358 7.951) 9.786 13.632 ( -4.990 28.499 -1.468) 28.970 14.972 ( 22.039 14.644 -9.080) 27.975 16.625 ( -22.529 3.084 13.209) 26.297 17.397 ( 3.879 -20.704 -4.857) 21.617 19.876 ( -11.414 27.193 14.568) 32.894 20.389 ( 5.349 30.171 -14.391) 33.853 20.939 ( -12.462 28.161 4.699) 31.151 22.008 ( 2.469 -15.083 -0.260) 15.286 23.587 ( -10.069 -9.692 -12.395) 18.680 23.780 ( 6.525 -12.230 -0.887) 13.890 24.902 ( 13.166 4.855 0.989) 14.067 25.873 ( -3.156 -11.547 1.709) 12.092 26.798 ( 2.048 11.561 13.467) 17.867 27.327 ( -6.120 -3.536 -4.849) 8.571 27.529 ( -1.212 -1.921 3.554) 4.218 27.789 ( 7.623 -3.173 -3.525) 8.978 47.856 ( -2.000 6.884 -2.929) 7.745 48.571 ( -5.512 1.403 -0.001) 5.688 48.792 ( 12.783 2.520 9.941) 16.388 48.970 ( -6.207 -0.547 -0.996) 6.310 49.563 ( 1.114 -3.763 -2.601) 4.708 50.354 ( 1.096 -10.241 -0.525) 10.313 51.202 ( 0.437 5.843 0.827) 5.918 51.516 ( -2.055 2.137 -2.595) 3.941 ======================= Grid point 86 (70/186) ======================= q-point: ( 0.66 -0.06 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -7.527 9.480 5.634) 13.352 3.871 ( -2.240 13.199 -6.568) 14.912 4.393 ( -19.403 -4.369 7.170) 21.141 4.806 ( 4.871 6.962 -2.778) 8.939 5.424 ( 0.253 -7.412 2.842) 7.942 5.564 ( 7.473 4.537 3.800) 9.533 5.644 ( 15.506 -17.305 -4.549) 23.677 6.245 ( 5.446 -10.618 -8.940) 14.911 7.988 ( -10.920 14.366 -0.374) 18.049 8.256 ( -6.843 9.363 -0.124) 11.597 8.697 ( 4.652 -1.903 -1.159) 5.159 8.959 ( 0.301 -8.016 5.490) 9.721 14.048 ( -7.807 24.120 2.261) 25.452 15.295 ( -28.905 3.977 27.083) 39.809 16.408 ( 11.804 12.563 4.484) 17.812 17.156 ( 13.036 -24.526 -26.162) 38.156 19.865 ( -26.767 9.954 -12.006) 30.978 20.857 ( -23.885 32.492 -13.854) 42.640 21.169 ( -18.916 20.103 22.096) 35.358 21.982 ( 14.249 -6.838 9.626) 18.505 23.265 ( 1.043 -0.027 -22.656) 22.680 23.753 ( 13.574 -14.220 11.039) 22.546 25.182 ( 6.554 -4.100 6.812) 10.304 25.651 ( 5.820 -6.662 -3.662) 9.574 26.804 ( -16.115 0.109 -5.706) 17.096 27.300 ( 3.022 8.425 6.158) 10.864 27.533 ( 3.236 -1.910 5.540) 6.694 27.822 ( 5.464 -7.053 -2.464) 9.256 47.947 ( -3.182 5.694 -5.109) 8.286 48.378 ( -5.394 -1.803 -0.320) 5.696 48.821 ( -4.926 -2.512 0.480) 5.551 49.209 ( 10.434 4.536 7.110) 13.417 49.530 ( 1.094 -0.001 5.047) 5.164 50.200 ( 4.825 -8.781 -4.580) 11.017 51.249 ( -5.440 4.036 2.559) 7.241 51.532 ( -0.167 1.562 -3.726) 4.044 ======================= Grid point 87 (71/186) ======================= q-point: ( 0.66 -0.06 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -9.949 1.486 5.202) 11.325 3.943 ( -11.641 -4.912 5.965) 13.972 4.198 ( -6.034 18.885 0.796) 19.841 4.980 ( -3.650 6.654 -4.451) 8.799 5.417 ( 15.959 -16.439 -1.097) 22.938 5.608 ( 10.882 4.725 3.313) 12.317 5.866 ( 15.244 -7.507 -5.271) 17.791 6.362 ( 10.873 7.245 -3.627) 13.560 7.994 ( -11.702 5.417 0.721) 12.916 8.308 ( -6.243 8.981 2.347) 11.186 8.536 ( -6.884 -12.083 2.223) 14.083 8.822 ( 0.708 -2.875 -4.622) 5.489 13.953 ( -28.713 -6.357 11.225) 31.477 14.856 ( -10.353 14.925 22.033) 28.555 16.759 ( -0.754 -20.215 -14.996) 25.181 17.201 ( 17.867 13.436 -7.773) 23.668 19.356 ( -30.126 2.635 -33.226) 44.927 20.692 ( -35.103 3.231 24.763) 43.080 20.967 ( -23.071 15.623 0.652) 27.871 22.189 ( 17.263 -5.477 9.429) 20.418 23.662 ( 12.758 13.725 -5.840) 19.628 23.768 ( 10.565 -4.958 5.835) 13.048 24.978 ( -2.777 -12.825 7.741) 15.235 25.840 ( 12.424 -0.211 -4.045) 13.067 26.444 ( -16.975 1.207 -15.867) 23.268 27.462 ( 3.048 -1.619 4.300) 5.514 27.609 ( 3.476 0.213 3.655) 5.049 27.758 ( 2.030 -2.557 0.518) 3.305 47.908 ( -5.869 0.728 0.006) 5.914 48.344 ( -8.584 9.389 -6.407) 14.244 48.716 ( 4.478 -5.325 0.648) 6.988 49.195 ( -1.526 -9.031 3.475) 9.796 49.643 ( 5.070 -0.725 6.267) 8.093 50.289 ( 10.294 1.998 -3.724) 11.128 51.180 ( -6.343 1.675 0.980) 6.633 51.546 ( -1.777 1.323 -0.697) 2.323 ======================= Grid point 88 (72/186) ======================= q-point: (-0.34 -0.06 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -9.299 -6.482 -1.508) 11.436 3.603 ( -12.805 -4.171 9.786) 16.648 4.355 ( -8.003 8.235 2.910) 11.846 4.837 ( -4.336 -9.190 -1.204) 10.232 5.546 ( 17.434 -8.072 -4.489) 19.730 5.847 ( 10.325 -13.632 -10.987) 20.326 6.187 ( 16.646 14.697 8.412) 23.746 6.838 ( 12.693 10.244 1.205) 16.356 7.698 ( -12.577 -7.476 3.444) 15.031 8.029 ( -10.895 -13.422 -0.300) 17.290 8.372 ( -8.801 9.481 1.071) 12.981 8.890 ( 1.739 6.045 -7.528) 9.810 13.153 ( -24.132 -11.408 5.217) 27.198 15.111 ( 5.559 3.406 9.774) 11.749 16.211 ( -8.096 -18.561 -10.622) 22.867 17.490 ( -11.519 5.514 -15.058) 19.744 18.964 ( -14.197 1.721 -32.345) 35.366 20.014 ( -25.925 0.052 23.564) 35.034 20.789 ( -14.076 2.967 23.289) 27.373 22.397 ( 13.260 -4.903 7.397) 15.955 23.797 ( 4.662 -2.596 -4.635) 7.068 24.148 ( 8.685 -2.133 10.492) 13.786 24.773 ( -5.521 8.606 -1.628) 10.354 25.973 ( 0.469 -1.417 -5.609) 5.805 26.287 ( -0.665 2.484 -15.432) 15.644 27.463 ( -0.157 -2.843 -3.749) 4.708 27.509 ( 4.337 -8.686 3.320) 10.261 27.907 ( 1.383 8.330 3.162) 9.016 47.801 ( -5.468 0.579 3.940) 6.765 48.277 ( -12.767 4.952 -5.434) 14.732 48.833 ( 11.089 -0.364 -3.458) 11.621 48.997 ( 1.320 -6.689 -0.030) 6.818 49.662 ( 1.887 -3.259 1.805) 4.176 50.552 ( 8.438 2.387 0.069) 8.769 51.079 ( -4.846 -0.453 -0.751) 4.925 51.514 ( -3.415 0.877 2.549) 4.351 ======================= Grid point 90 (73/186) ======================= q-point: (-0.53 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 1.419 -0.775 2.219) 2.745 3.242 ( 2.769 -1.680 -7.422) 8.098 4.092 ( -2.993 -3.846 -0.230) 4.879 4.737 ( -0.122 -5.088 -0.746) 5.144 5.944 ( 0.818 -4.959 0.908) 5.108 6.354 ( 1.585 -18.434 -0.647) 18.513 6.670 ( 2.232 4.016 0.435) 4.615 6.790 ( -10.608 -1.390 5.204) 11.898 7.299 ( 2.950 -8.064 3.333) 9.211 7.921 ( 7.284 4.207 2.070) 8.663 8.095 ( -1.708 9.985 -2.282) 10.384 8.934 ( -3.570 5.020 -2.318) 6.581 12.745 ( 2.486 4.766 -8.997) 10.481 15.409 ( 4.438 2.161 -5.561) 7.436 15.770 ( 1.508 -3.017 1.849) 3.846 17.365 ( -6.406 2.466 12.052) 13.869 18.722 ( -3.668 1.157 33.950) 34.167 19.435 ( 0.266 -2.641 -41.261) 41.347 20.271 ( 1.470 -15.984 1.287) 16.103 22.716 ( 3.142 2.397 -5.706) 6.941 23.897 ( 3.070 2.300 4.101) 5.616 24.008 ( -2.291 -19.963 10.538) 22.690 24.814 ( 3.228 23.493 -8.477) 25.184 25.970 ( -5.416 -1.750 -1.557) 5.901 26.458 ( -1.999 -2.198 3.194) 4.362 27.520 ( -0.041 5.765 -2.718) 6.374 27.668 ( 3.058 -8.789 -1.532) 9.431 27.853 ( -1.110 9.867 1.482) 10.040 47.677 ( 1.761 1.027 -0.042) 2.039 47.980 ( -3.649 -1.950 0.361) 4.153 49.049 ( 1.429 5.978 -4.009) 7.338 49.295 ( -3.484 0.087 0.250) 3.494 49.610 ( 4.764 0.131 -0.468) 4.789 50.800 ( 0.389 -2.686 0.904) 2.861 50.874 ( -1.752 0.468 -0.412) 1.859 51.384 ( 0.512 -2.093 1.976) 2.924 ======================= Grid point 91 (74/186) ======================= q-point: (-0.53 -0.07 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 6.614 -6.946 -6.140) 11.388 3.240 ( 10.798 -12.199 -18.148) 24.388 3.917 ( -2.178 -6.685 9.286) 11.647 4.600 ( 4.673 -12.512 0.917) 13.388 5.675 ( -5.076 -14.283 -2.177) 15.314 5.924 ( 0.647 -21.236 -0.115) 21.246 6.456 ( -6.708 -7.379 1.244) 10.049 6.729 ( -10.287 11.706 10.104) 18.572 7.322 ( 8.962 -8.096 3.200) 12.494 7.992 ( 3.108 -4.278 7.999) 9.589 8.506 ( 6.556 16.789 -8.430) 19.898 9.012 ( -3.181 8.542 0.323) 9.121 13.051 ( 18.465 4.830 -21.235) 28.552 14.710 ( -17.101 -25.023 -34.338) 45.801 16.400 ( 19.086 8.878 7.561) 22.367 17.423 ( 4.746 3.350 21.550) 22.320 18.563 ( 0.319 -10.761 38.038) 39.532 19.596 ( 13.455 -0.214 -42.017) 44.120 19.982 ( 9.074 -18.636 18.690) 27.910 22.809 ( -4.765 7.599 -14.443) 17.002 23.459 ( -2.009 -22.940 16.383) 28.261 24.057 ( -0.806 6.733 -12.450) 14.177 25.354 ( 0.741 22.069 -10.912) 24.630 25.852 ( 2.638 -4.309 8.710) 10.069 26.333 ( -5.464 -2.260 7.906) 9.873 27.459 ( 2.175 -11.824 -4.303) 12.770 27.742 ( -3.328 12.863 -4.983) 14.190 28.032 ( -2.386 10.785 0.173) 11.047 47.791 ( 1.100 3.724 -1.056) 4.024 47.885 ( 4.372 -3.791 0.973) 5.868 49.120 ( -9.328 1.927 1.468) 9.638 49.278 ( 2.110 7.194 -5.638) 9.380 49.762 ( 4.600 2.315 -4.223) 6.660 50.585 ( -8.803 -6.173 3.256) 11.234 50.894 ( 4.261 -2.851 -3.091) 5.986 51.383 ( 3.210 -2.238 4.615) 6.050 ======================= Grid point 92 (75/186) ======================= q-point: (-0.53 -0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 9.727 -13.455 -10.831) 19.823 3.217 ( 14.642 -14.435 -11.339) 23.481 3.827 ( 6.412 -4.220 3.604) 8.480 4.458 ( 7.674 -13.559 2.480) 15.777 5.349 ( 1.830 -11.247 -4.742) 12.342 5.595 ( 1.796 -13.377 0.906) 13.527 6.339 ( 5.660 -3.371 -1.478) 6.752 6.725 ( -12.923 10.927 11.806) 20.635 7.279 ( 3.998 -7.094 6.497) 10.417 7.941 ( 1.323 -4.872 8.108) 9.551 8.874 ( 2.617 8.131 -6.005) 10.441 9.101 ( -2.139 5.616 -0.506) 6.031 13.629 ( 20.930 1.806 -30.169) 36.763 13.964 ( 2.079 -22.484 -34.826) 41.505 16.577 ( -5.896 -6.013 6.076) 10.385 17.593 ( 5.171 2.588 19.513) 20.352 18.606 ( 23.496 -5.961 42.220) 48.685 19.465 ( 11.143 -27.552 10.515) 31.525 20.157 ( 13.800 -2.739 -27.608) 30.986 22.786 ( -13.952 8.731 -17.907) 24.322 23.091 ( 1.269 -10.046 22.659) 24.819 24.184 ( 0.771 5.858 -18.619) 19.534 25.526 ( -5.051 3.159 -0.614) 5.990 25.994 ( -0.292 3.111 -0.620) 3.186 26.264 ( 6.713 3.756 8.417) 11.403 27.213 ( -1.460 -12.654 -3.015) 13.090 27.913 ( -8.201 14.184 -7.841) 18.164 28.162 ( -4.702 8.431 -0.796) 9.686 47.752 ( 0.104 -3.242 1.436) 3.548 48.120 ( 9.294 6.700 -1.785) 11.596 48.956 ( -8.795 1.122 0.599) 8.887 49.443 ( 0.843 4.217 -4.727) 6.390 49.726 ( -9.237 -3.619 -9.356) 13.636 50.391 ( 0.377 -0.219 6.503) 6.518 50.932 ( 5.625 -3.123 -3.980) 7.566 51.401 ( 3.493 -3.135 5.987) 7.607 ======================= Grid point 93 (76/186) ======================= q-point: (-0.53 -0.07 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 10.431 -10.038 -3.803) 14.967 3.210 ( 10.444 -12.012 -4.527) 16.549 4.081 ( 21.221 0.873 -5.588) 21.962 4.333 ( 6.157 -13.346 4.380) 15.337 5.346 ( 13.525 -4.732 -9.454) 17.167 5.506 ( 5.624 -1.433 1.904) 6.108 6.492 ( 14.307 -2.995 -0.850) 14.641 6.673 ( -12.557 10.505 10.697) 19.556 7.265 ( 3.480 -1.693 6.682) 7.722 7.856 ( -0.502 -4.026 9.414) 10.251 8.844 ( -9.890 -1.879 -4.844) 11.172 9.192 ( 0.074 2.878 -1.816) 3.404 13.262 ( -6.711 -17.381 -29.473) 34.868 14.536 ( 39.208 0.209 -30.277) 49.538 16.141 ( -16.805 -7.368 17.870) 25.613 17.682 ( 3.234 -3.868 4.132) 6.519 18.969 ( 14.166 -12.801 23.715) 30.445 19.318 ( 29.221 -13.682 36.804) 48.945 20.084 ( -1.081 -16.079 -34.225) 37.829 22.683 ( -13.829 10.292 -15.181) 22.971 23.118 ( 10.199 0.331 21.180) 23.510 24.260 ( -4.407 3.266 -10.108) 11.500 25.451 ( -6.461 -0.270 -2.763) 7.032 25.931 ( -2.911 2.548 3.427) 5.168 26.564 ( 7.319 -2.466 -10.915) 13.371 27.014 ( 4.720 -2.226 4.993) 7.222 27.936 ( -13.991 9.705 -9.601) 19.548 28.168 ( -7.052 4.084 0.749) 8.183 47.703 ( 0.415 -2.258 1.737) 2.879 48.329 ( 2.516 -4.187 -2.037) 5.292 48.905 ( -1.793 9.158 -2.097) 9.565 49.344 ( -11.589 -0.806 -9.114) 14.766 49.563 ( 0.762 -0.816 -1.387) 1.781 50.502 ( 3.252 4.459 4.060) 6.851 50.982 ( 5.552 -3.797 -3.129) 7.419 51.387 ( 2.023 -3.697 6.388) 7.653 ======================= Grid point 94 (77/186) ======================= q-point: (-0.53 -0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 6.511 -4.362 1.389) 7.959 3.190 ( 7.557 -7.064 -7.058) 12.522 4.169 ( 2.812 -10.090 3.291) 10.979 4.531 ( 17.735 -0.814 -1.546) 17.821 5.673 ( 11.745 7.516 -0.939) 13.976 5.784 ( 22.679 2.210 -6.239) 23.625 6.647 ( -10.429 11.052 4.629) 15.885 6.760 ( 15.633 -3.224 2.947) 16.231 7.282 ( 2.894 -5.643 5.356) 8.301 7.807 ( -0.725 2.631 10.041) 10.405 8.494 ( -15.876 -5.357 -6.600) 18.008 9.139 ( -6.081 -2.117 -2.292) 6.834 12.890 ( -3.599 -9.036 -19.267) 21.583 15.184 ( 18.597 3.029 -20.071) 27.529 15.792 ( -4.930 -3.305 16.629) 17.657 17.562 ( 0.367 -10.092 -2.635) 10.437 18.855 ( 6.237 -12.339 31.195) 34.121 19.572 ( -1.687 -12.122 -35.696) 37.736 19.886 ( 23.056 -4.878 21.104) 31.635 22.665 ( -7.902 9.780 -10.821) 16.588 23.467 ( 20.407 2.158 16.941) 26.611 24.130 ( -9.109 -0.997 -0.767) 9.196 25.203 ( -19.221 2.247 -4.560) 19.881 26.005 ( 5.061 -2.170 -5.547) 7.816 26.463 ( 0.272 -4.921 -2.172) 5.386 27.310 ( 13.582 4.907 -0.285) 14.444 27.759 ( -14.538 2.863 -6.568) 16.207 28.054 ( -9.346 1.217 1.944) 9.623 47.677 ( -0.666 -0.010 1.560) 1.697 48.127 ( -0.364 -11.503 -2.469) 11.771 49.130 ( -5.428 6.060 -5.603) 9.878 49.210 ( -2.502 9.246 -6.015) 11.311 49.560 ( 1.875 -1.999 2.808) 3.924 50.658 ( 2.883 4.831 1.746) 5.891 50.971 ( 2.429 -5.782 -1.394) 6.424 51.358 ( 1.883 -2.229 5.274) 6.028 ======================= Grid point 97 (78/186) ======================= q-point: ( 0.47 -0.07 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -11.861 9.354 6.867) 16.593 3.479 ( -9.157 14.340 -7.442) 18.570 4.383 ( -9.666 2.342 -0.465) 9.957 4.567 ( -11.029 4.898 -4.064) 12.734 5.392 ( -10.867 -3.454 10.287) 15.357 5.597 ( -8.260 -5.199 5.814) 11.360 6.496 ( 13.699 -16.728 -7.276) 22.813 6.903 ( -3.558 -5.295 -8.900) 10.950 7.527 ( -7.396 7.851 -7.323) 13.037 7.884 ( -0.219 4.933 3.456) 6.027 8.570 ( 9.936 8.639 1.458) 13.247 9.023 ( 5.985 -3.687 8.014) 10.660 12.934 ( -9.728 20.671 5.299) 23.452 14.794 ( -33.686 -0.241 16.287) 37.418 16.099 ( 7.336 1.451 -3.265) 8.159 17.576 ( 2.433 19.597 14.623) 24.572 18.934 ( -4.787 17.191 31.395) 36.113 20.058 ( 4.455 18.515 -28.380) 34.177 20.670 ( -14.847 7.873 -39.875) 43.272 22.344 ( 0.753 -11.448 -0.982) 11.515 23.704 ( -8.741 -2.375 -0.517) 9.072 24.006 ( -4.785 -4.951 -0.481) 6.902 25.114 ( 18.730 1.495 4.126) 19.238 25.935 ( -1.734 -0.429 2.929) 3.430 26.336 ( 1.665 3.134 15.415) 15.818 27.267 ( -9.734 -2.398 -2.088) 10.241 27.531 ( 4.944 -3.789 6.378) 8.914 28.061 ( 6.858 -2.499 -1.939) 7.553 47.806 ( -0.885 5.960 -5.353) 8.059 48.314 ( -0.584 12.080 3.012) 12.463 48.858 ( -0.896 -10.614 4.047) 11.395 48.949 ( 5.879 -2.752 6.199) 8.976 49.597 ( -3.144 -2.337 -0.152) 3.920 50.583 ( 0.663 -5.867 -1.558) 6.106 51.035 ( -3.846 3.583 1.679) 5.518 51.523 ( -0.055 3.528 -4.628) 5.820 ======================= Grid point 98 (79/186) ======================= q-point: ( 0.47 -0.07 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -12.496 11.597 9.584) 19.557 3.455 ( -23.080 13.136 4.036) 26.861 4.057 ( -7.267 1.962 -5.736) 9.464 4.665 ( -5.516 11.010 -4.303) 13.045 5.296 ( -4.275 6.022 6.686) 9.962 5.548 ( 2.045 6.579 4.912) 8.462 6.368 ( 6.992 -14.397 -2.068) 16.139 6.790 ( 5.799 -8.107 -14.217) 17.363 7.559 ( -6.388 9.934 -9.838) 15.371 7.980 ( 0.290 3.585 3.689) 5.152 8.817 ( 1.638 -0.905 -0.116) 1.875 8.981 ( 3.091 -5.560 8.793) 10.853 13.212 ( -7.120 22.899 15.699) 28.662 13.989 ( -41.641 1.388 24.890) 48.533 16.403 ( 13.759 5.501 2.170) 14.976 17.906 ( -3.579 10.229 -3.905) 11.519 19.193 ( -11.190 21.925 30.303) 39.041 20.153 ( -26.157 -2.834 -38.547) 46.670 20.538 ( -7.484 17.770 -29.077) 34.889 22.276 ( 10.514 -6.871 3.697) 13.093 23.547 ( -4.567 2.534 -3.723) 6.414 23.811 ( -1.844 -6.701 9.039) 11.402 25.350 ( 7.972 -8.611 5.178) 12.826 25.914 ( 6.014 -1.715 -0.930) 6.322 26.493 ( -6.346 10.967 5.524) 13.822 27.147 ( 1.145 2.805 -1.504) 3.382 27.531 ( 4.759 -6.422 11.172) 13.736 28.087 ( 4.164 -5.918 -1.114) 7.321 47.893 ( -4.791 7.576 -6.617) 11.141 48.274 ( -8.867 -4.320 1.175) 9.934 48.807 ( 4.959 0.296 0.684) 5.015 49.198 ( 14.731 4.091 9.368) 17.930 49.457 ( -2.450 -4.582 4.776) 7.058 50.496 ( 1.581 -4.594 -4.095) 6.354 50.989 ( -6.769 3.404 3.037) 8.163 51.566 ( -1.872 2.180 -4.678) 5.490 ======================= Grid point 99 (80/186) ======================= q-point: ( 0.47 -0.07 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( -8.976 10.147 10.000) 16.839 3.254 ( -20.860 14.792 11.663) 28.106 4.110 ( 0.944 3.898 -11.387) 12.072 4.761 ( -6.912 11.098 -2.663) 13.343 5.487 ( 7.751 8.829 2.544) 12.021 5.837 ( 3.340 14.693 4.467) 15.716 6.338 ( 10.562 -2.959 0.117) 10.969 6.757 ( 9.591 -11.666 -13.800) 20.458 7.621 ( -9.036 9.175 -7.381) 14.842 8.027 ( -0.323 1.151 5.507) 5.635 8.546 ( -9.444 -12.252 5.198) 16.320 8.993 ( 2.724 -3.333 -2.337) 4.898 13.117 ( -27.321 1.613 17.846) 32.673 13.821 ( 1.914 25.933 28.220) 38.374 16.687 ( -0.982 3.762 0.020) 3.888 17.829 ( -10.241 -1.209 -4.196) 11.133 19.156 ( -29.177 10.300 38.215) 49.171 19.631 ( -15.217 4.567 -47.086) 49.694 20.656 ( -5.095 4.324 -26.601) 27.427 22.423 ( 12.158 -2.998 4.995) 13.482 23.593 ( 1.341 2.165 19.669) 19.833 23.797 ( 0.740 10.144 -11.468) 15.329 25.108 ( 1.235 -21.123 11.220) 23.950 26.062 ( 2.519 3.474 -4.298) 6.074 26.493 ( -4.732 3.776 -10.539) 12.154 27.378 ( 2.967 10.538 3.314) 11.438 27.475 ( 4.130 -6.439 11.727) 14.001 27.998 ( 2.484 -9.220 -1.243) 9.629 47.853 ( -5.307 -2.685 -1.874) 6.236 48.072 ( -10.004 6.888 -2.125) 12.331 48.957 ( 10.239 -1.845 -1.877) 10.572 49.220 ( -2.248 -6.592 4.489) 8.286 49.604 ( 7.887 2.316 7.729) 11.283 50.509 ( 5.407 0.346 -3.447) 6.422 50.935 ( -6.068 4.533 3.121) 8.192 51.532 ( -3.302 -0.079 -3.319) 4.682 ======================= Grid point 101 (81/186) ======================= q-point: ( 0.28 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 1.872 16.599 6.910) 18.077 2.858 ( 12.911 21.723 3.299) 25.485 4.396 ( 1.968 -3.646 -9.167) 10.060 4.609 ( -1.731 12.041 -2.908) 12.508 5.449 ( -10.630 44.535 9.536) 46.768 5.700 ( -1.355 6.452 1.435) 6.747 6.636 ( 8.142 15.351 0.095) 17.377 7.345 ( -1.403 -18.198 -12.601) 22.180 7.505 ( -0.245 -5.069 -8.704) 10.075 7.925 ( -5.685 -14.469 11.743) 19.483 8.094 ( 2.572 -6.718 4.326) 8.394 9.067 ( -2.386 -5.237 -0.380) 5.768 12.408 ( 2.165 12.910 -0.988) 13.128 13.959 ( 30.229 35.952 21.974) 51.857 16.276 ( -14.200 0.645 10.723) 17.805 16.727 ( -13.601 4.948 14.428) 20.437 18.007 ( -1.314 8.693 16.379) 18.589 20.370 ( 4.450 -5.664 -37.104) 37.797 21.377 ( 1.750 -14.496 -35.002) 37.926 22.679 ( -0.562 5.666 -4.973) 7.559 23.221 ( 10.373 5.308 32.009) 34.064 24.061 ( 2.230 17.728 -8.877) 19.951 24.963 ( 2.048 -25.461 5.996) 26.237 25.979 ( -11.979 6.106 -5.872) 14.672 26.400 ( -5.951 1.643 6.458) 8.934 27.237 ( -0.007 2.762 7.965) 8.430 27.525 ( 1.870 3.505 1.609) 4.286 28.107 ( 1.415 -7.863 -0.829) 8.032 47.743 ( 1.049 -2.541 -1.203) 3.000 47.871 ( 1.105 6.801 1.491) 7.049 48.961 ( -2.573 -3.957 3.220) 5.713 49.316 ( -9.550 -1.056 0.160) 9.610 49.601 ( 4.201 0.607 -0.383) 4.262 50.720 ( -1.798 3.873 1.872) 4.662 50.839 ( 6.858 1.499 -1.218) 7.125 51.491 ( 0.100 -1.048 -2.002) 2.262 ======================= Grid point 102 (82/186) ======================= q-point: ( 0.28 -0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 8.426 9.838 2.848) 13.262 3.478 ( 15.589 9.303 -4.296) 18.655 4.339 ( 3.589 -7.914 -7.047) 11.188 4.785 ( 2.049 4.022 -1.727) 4.833 5.752 ( -7.749 7.726 4.282) 11.750 5.887 ( -17.969 24.636 8.012) 31.528 6.653 ( -10.893 -14.899 -6.893) 19.701 6.954 ( -3.599 -16.919 4.162) 17.791 7.564 ( 9.674 -0.542 -5.745) 11.265 7.826 ( 6.319 14.838 0.363) 16.131 8.105 ( 9.469 -6.206 7.987) 13.855 8.895 ( -4.431 -3.846 -1.016) 5.955 12.867 ( 15.744 15.405 -5.895) 22.802 15.208 ( 15.048 32.885 5.031) 36.513 16.091 ( 0.397 -7.260 -8.429) 11.132 16.658 ( 3.578 4.882 28.067) 28.713 18.179 ( 7.707 -0.816 20.346) 21.772 20.286 ( 4.786 -7.427 -24.581) 26.121 21.085 ( 7.064 -22.726 -23.758) 33.628 22.759 ( -5.122 7.215 -8.973) 12.602 23.580 ( 6.677 13.037 16.070) 21.744 24.385 ( 0.083 -18.571 -2.434) 18.730 24.632 ( 6.670 11.528 -0.932) 13.351 25.801 ( -8.242 -0.833 5.380) 9.878 26.260 ( -9.398 0.469 5.527) 10.913 27.370 ( 1.577 7.483 3.065) 8.239 27.624 ( -1.972 7.057 -1.323) 7.446 27.963 ( 0.735 -8.534 -1.621) 8.718 47.780 ( 5.336 -1.404 -3.488) 6.528 47.982 ( 4.739 -2.050 4.247) 6.686 48.961 ( -1.602 6.556 -1.000) 6.823 49.071 ( -10.977 1.678 2.492) 11.381 49.703 ( 1.829 2.831 -1.519) 3.697 50.691 ( -5.992 -0.372 0.559) 6.029 50.968 ( 5.188 0.123 0.490) 5.212 51.480 ( 3.242 -3.480 -1.075) 4.876 ======================= Grid point 103 (83/186) ======================= q-point: ( 0.28 -0.08 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 11.279 4.068 -1.428) 12.075 3.862 ( 11.391 2.430 -6.747) 13.460 4.147 ( 4.373 -19.424 -4.786) 20.477 4.835 ( 3.730 -4.761 1.294) 6.185 5.692 ( -11.880 6.888 2.547) 13.967 5.845 ( -16.524 7.741 6.205) 19.273 6.133 ( -13.619 -4.262 -5.332) 15.234 6.451 ( -7.858 -16.184 6.728) 19.208 7.786 ( 12.691 -6.182 -4.085) 14.695 8.094 ( 8.996 -7.442 8.376) 14.369 8.445 ( 9.617 16.964 -4.150) 19.937 8.797 ( -3.642 4.269 0.356) 5.622 13.648 ( 27.229 16.553 -11.731) 33.956 15.366 ( -11.889 -7.592 -25.330) 28.993 16.362 ( 1.574 24.638 17.541) 30.285 16.977 ( 22.003 -13.790 14.395) 29.690 18.218 ( 14.640 -9.883 27.031) 32.291 20.524 ( 20.063 7.405 -17.761) 27.800 20.737 ( 14.071 -32.337 -8.365) 36.245 22.743 ( -12.876 9.026 -12.102) 19.842 23.731 ( -5.929 -32.836 4.877) 33.721 23.979 ( 0.326 16.391 -1.354) 16.450 25.114 ( -1.213 19.611 -6.445) 20.679 25.762 ( 11.058 -0.918 12.340) 16.595 26.046 ( -11.658 -0.508 5.391) 12.854 27.548 ( -0.715 7.662 -0.322) 7.702 27.732 ( -2.969 5.765 -2.305) 6.882 27.806 ( -0.171 -4.557 -1.305) 4.743 47.834 ( 2.838 -2.733 -1.647) 4.271 48.047 ( 9.567 -3.708 3.778) 10.934 48.858 ( -8.875 3.179 0.529) 9.442 49.226 ( 1.771 11.197 -2.702) 11.654 49.797 ( -0.684 5.712 -2.700) 6.355 50.446 ( -10.963 -6.170 1.939) 12.728 51.075 ( 5.607 -0.312 -0.492) 5.638 51.473 ( 3.948 -4.705 0.714) 6.183 ======================= Grid point 104 (84/186) ======================= q-point: (-0.72 -0.08 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 7.719 -6.407 -7.282) 12.397 3.710 ( 1.846 -17.228 5.065) 18.052 4.215 ( 15.584 0.735 -9.296) 18.161 4.767 ( 2.766 -7.902 1.676) 8.539 5.493 ( -4.798 -3.621 1.161) 6.122 5.709 ( -6.965 -0.274 0.408) 6.982 5.949 ( -15.422 11.329 0.803) 19.153 6.178 ( -5.894 6.241 7.275) 11.252 7.785 ( 11.525 -15.974 -3.860) 20.073 8.056 ( 7.249 -11.248 6.754) 14.989 8.795 ( -2.977 7.510 -3.108) 8.656 8.968 ( 4.428 10.424 -0.287) 11.329 14.244 ( -1.312 0.552 -14.906) 14.974 15.238 ( 26.985 -5.514 -28.775) 39.832 16.508 ( -14.160 -23.285 23.599) 36.050 16.875 ( 0.778 16.251 10.298) 19.255 18.728 ( 41.645 -1.893 21.073) 46.712 20.292 ( 15.694 -39.610 4.276) 42.820 21.240 ( 26.467 4.912 -26.043) 37.455 22.620 ( -18.891 11.363 -14.174) 26.209 22.906 ( -8.788 -27.445 19.011) 34.523 24.177 ( -10.591 11.637 -6.275) 16.940 25.353 ( 0.361 9.069 -2.542) 9.425 25.748 ( -13.465 -0.584 4.725) 14.282 26.254 ( 21.711 9.280 6.957) 24.614 27.485 ( -3.916 -8.912 -3.260) 10.265 27.724 ( -3.159 5.479 -4.833) 7.960 27.878 ( -4.622 8.453 1.559) 9.759 47.800 ( 2.512 -5.175 2.533) 6.285 48.224 ( 8.656 2.509 0.196) 9.015 48.812 ( -2.272 2.772 -0.517) 3.621 49.417 ( -1.454 6.180 -2.883) 6.972 49.808 ( -8.652 -3.320 -9.248) 13.093 50.165 ( -4.645 3.603 7.438) 9.481 51.176 ( 6.396 -1.909 -2.192) 7.025 51.439 ( 2.087 -4.840 3.186) 6.159 ======================= Grid point 105 (85/186) ======================= q-point: (-0.72 -0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 2.341 -16.151 2.934) 16.581 3.638 ( 5.842 -7.619 -4.263) 10.505 4.573 ( 9.243 -3.367 -3.624) 10.483 4.641 ( 8.424 -3.403 -0.679) 9.110 5.506 ( -4.006 -1.642 0.402) 4.348 5.583 ( 7.750 7.075 2.865) 10.877 5.973 ( -14.195 18.717 -1.167) 23.520 6.357 ( -0.765 15.257 5.402) 16.203 7.699 ( 12.778 -15.584 -2.696) 20.332 7.950 ( 6.487 -13.143 6.751) 16.137 8.729 ( -9.804 -0.723 -2.078) 10.048 9.175 ( 0.457 3.939 -2.171) 4.521 13.886 ( -12.820 -11.435 -18.522) 25.262 15.212 ( -18.500 -25.151 9.598) 32.664 16.306 ( 34.628 -5.261 -9.900) 36.398 17.219 ( -1.764 17.458 15.311) 23.288 19.531 ( 36.019 -10.224 3.381) 37.594 19.781 ( 17.259 -33.740 15.016) 40.765 21.232 ( -2.335 -28.415 -26.783) 39.118 22.431 ( -19.091 11.867 -13.238) 26.087 22.846 ( 19.147 8.684 22.084) 30.491 24.041 ( -15.591 2.926 1.601) 15.944 25.272 ( -16.604 -1.588 -2.572) 16.877 25.764 ( 6.356 9.524 2.829) 11.794 26.862 ( 15.685 9.129 -1.377) 18.201 27.190 ( -1.534 -11.487 -2.537) 11.864 27.719 ( -8.040 4.649 -5.320) 10.703 27.883 ( -8.038 4.550 3.039) 9.723 47.744 ( 2.523 -5.197 2.483) 6.288 48.458 ( 6.116 3.023 -0.490) 6.840 48.843 ( 2.325 0.374 -0.308) 2.375 49.311 ( -13.543 -2.599 -9.409) 16.694 49.564 ( -3.334 0.793 1.782) 3.862 50.320 ( 0.953 9.392 2.543) 9.777 51.220 ( 2.810 -4.840 -3.068) 6.383 51.386 ( 2.691 -3.483 4.778) 6.497 ======================= Grid point 106 (86/186) ======================= q-point: ( 0.28 -0.08 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 0.043 -9.878 5.018) 11.080 3.498 ( -2.076 -10.794 -1.937) 11.161 4.396 ( -1.814 -6.158 -4.081) 7.608 4.922 ( 10.082 -5.780 -1.136) 11.677 5.539 ( 1.077 10.374 4.409) 11.323 6.042 ( 4.885 17.127 -1.366) 17.862 6.165 ( 1.171 18.008 -2.359) 18.200 6.663 ( -0.257 13.302 2.521) 13.541 7.621 ( 7.766 -16.032 0.279) 17.816 7.846 ( 10.297 -10.165 7.371) 16.238 8.397 ( -13.801 -7.389 -2.526) 15.857 9.159 ( -2.940 -1.728 -3.405) 4.819 13.347 ( -13.240 -16.540 -17.090) 27.220 14.371 ( -27.384 -3.840 27.314) 38.868 16.717 ( 18.152 -12.027 -16.706) 27.445 17.483 ( 5.342 0.938 15.981) 16.876 18.977 ( -1.954 -37.405 12.063) 39.350 20.314 ( 27.037 -1.888 -13.348) 30.211 20.648 ( 4.624 -20.140 -14.771) 25.400 22.386 ( -13.080 17.004 -6.169) 22.322 23.470 ( 14.026 4.535 12.952) 19.623 23.796 ( -1.653 1.539 8.018) 8.330 24.867 ( -19.211 -1.200 -1.885) 19.341 26.099 ( 6.109 8.348 -1.329) 10.430 26.794 ( -1.565 -13.823 -7.263) 15.693 27.374 ( 2.013 8.857 2.215) 9.349 27.630 ( -0.384 0.308 -3.452) 3.487 27.764 ( -9.217 2.223 3.350) 10.056 47.699 ( 2.579 -4.280 1.193) 5.137 48.398 ( -0.786 -12.931 -0.932) 12.988 49.010 ( 2.375 7.003 -0.472) 7.410 49.090 ( -8.155 7.063 -7.035) 12.879 49.555 ( -0.877 0.812 3.158) 3.377 50.515 ( 0.885 8.010 1.335) 8.169 51.086 ( -3.552 -5.933 0.289) 6.921 51.418 ( 5.640 -3.043 1.453) 6.571 ======================= Grid point 107 (87/186) ======================= q-point: ( 0.28 -0.08 -0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -7.178 -4.044 5.290) 9.791 3.154 ( -14.263 -4.446 1.961) 15.068 4.325 ( 2.263 -1.574 -7.884) 8.352 4.841 ( -3.974 -5.158 -1.726) 6.737 5.742 ( -3.036 7.223 4.085) 8.836 6.265 ( -19.336 6.903 -0.344) 20.534 6.562 ( -3.229 14.003 6.027) 15.583 6.893 ( 15.981 4.369 -9.677) 19.186 7.498 ( 9.688 -9.735 0.532) 13.745 7.892 ( -3.704 -0.436 7.897) 8.733 8.015 ( 5.592 -11.469 0.176) 12.761 9.061 ( 0.083 -3.234 -4.403) 5.464 12.764 ( -13.973 -10.848 -5.373) 18.488 14.014 ( -28.241 21.779 26.510) 44.437 16.623 ( 4.420 -17.612 -12.318) 21.942 17.260 ( -6.258 -21.143 19.435) 29.393 18.318 ( -5.772 -16.878 16.340) 24.190 20.316 ( 2.970 -6.993 -31.604) 32.504 20.956 ( 23.215 0.940 -22.245) 32.167 22.581 ( -2.275 14.902 1.096) 15.114 23.315 ( -13.815 0.512 19.684) 24.053 24.257 ( 12.594 5.158 -1.632) 13.706 24.519 ( -3.999 -0.987 3.215) 5.226 26.234 ( -1.037 -2.910 -6.933) 7.591 26.539 ( 0.629 -8.972 0.822) 9.031 27.321 ( -7.510 1.247 4.672) 8.932 27.606 ( -9.139 3.082 1.235) 9.724 27.870 ( 10.875 2.944 -1.232) 11.333 47.686 ( 2.943 -2.123 0.344) 3.645 48.093 ( -5.137 -9.022 -1.208) 10.452 48.979 ( -2.209 -0.427 0.376) 2.281 49.314 ( 0.593 9.270 -5.352) 10.720 49.546 ( 0.993 -1.220 4.775) 5.028 50.684 ( -0.222 8.104 0.821) 8.149 50.888 ( -4.664 -4.636 1.116) 6.670 51.464 ( 4.136 -2.364 -0.481) 4.788 ======================= Grid point 110 (88/186) ======================= q-point: ( 0.28 -0.08 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -19.832 18.069 13.214) 29.906 2.428 ( -36.433 11.932 9.803) 39.570 3.712 ( -19.277 32.317 0.495) 37.633 4.462 ( -7.438 7.079 3.054) 10.712 4.677 ( -6.412 11.583 -4.099) 13.859 5.398 ( 0.193 0.194 2.969) 2.981 6.235 ( -16.837 11.913 -3.408) 20.905 7.511 ( 12.788 -12.453 -14.714) 23.133 7.916 ( 7.405 -6.418 -16.425) 19.126 8.061 ( 8.327 -3.456 -2.082) 9.253 8.773 ( -2.543 2.197 2.387) 4.122 8.941 ( 6.011 -5.260 15.489) 17.427 12.373 ( -7.175 15.742 10.628) 20.304 12.646 ( -39.873 5.486 16.766) 43.601 16.566 ( 8.455 -1.128 1.614) 8.681 16.991 ( -6.925 21.907 39.613) 45.794 17.888 ( -15.491 16.411 20.274) 30.337 20.736 ( -21.069 -4.436 -48.882) 53.414 21.406 ( 11.517 -3.604 -51.155) 52.559 22.475 ( 6.182 -2.737 4.223) 7.971 23.047 ( -5.811 -3.700 35.398) 36.062 23.766 ( -7.628 5.000 -8.055) 12.168 25.538 ( 1.884 5.996 -7.433) 9.734 25.991 ( -5.258 -4.486 5.203) 8.651 26.035 ( 9.242 10.907 5.489) 15.314 27.230 ( 6.733 -1.591 5.998) 9.156 27.471 ( 2.391 -7.973 17.142) 19.056 28.268 ( 3.050 -3.862 0.352) 4.934 47.641 ( -7.790 8.431 1.290) 11.551 48.159 ( -6.845 -2.576 1.360) 7.439 49.029 ( 13.098 -0.172 -2.450) 13.326 49.268 ( 13.020 0.474 6.787) 14.691 49.457 ( -2.199 -6.248 1.251) 6.740 50.610 ( -0.857 0.699 -2.163) 2.429 50.759 ( -7.917 -0.306 -0.380) 7.932 51.527 ( -3.743 3.725 -2.658) 5.912 ======================= Grid point 112 (89/186) ======================= q-point: ( 0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.745 33.440 -0.000) 33.448 1.582 ( 20.931 36.447 -0.000) 42.029 2.936 ( -11.619 68.492 -0.000) 69.471 4.225 ( -0.198 7.357 -0.000) 7.359 4.637 ( -0.422 -2.570 0.000) 2.605 5.500 ( -0.834 3.944 -0.000) 4.031 5.836 ( 1.794 18.787 -0.000) 18.873 8.156 ( 6.434 -10.787 0.000) 12.560 8.186 ( 4.871 -12.652 0.000) 13.557 8.209 ( -9.562 -11.247 0.000) 14.762 8.347 ( -5.169 -6.123 0.000) 8.013 9.141 ( -1.555 0.076 -0.000) 1.557 12.071 ( 0.824 6.290 -0.000) 6.344 12.129 ( 20.633 34.963 -0.000) 40.597 15.497 ( -11.070 11.116 -0.000) 15.688 16.675 ( -2.370 -2.512 0.000) 3.453 17.325 ( -0.286 14.848 -0.000) 14.851 21.229 ( 13.760 -6.862 0.000) 15.376 22.247 ( 0.932 -1.287 0.000) 1.589 22.418 ( -0.850 7.804 -0.000) 7.850 22.672 ( 3.243 -6.256 0.000) 7.046 23.658 ( -1.599 7.363 -0.000) 7.535 25.773 ( 0.839 -16.546 0.000) 16.567 25.791 ( -15.239 9.974 -0.000) 18.213 26.166 ( -0.765 1.891 -0.000) 2.040 26.925 ( 0.142 3.908 -0.000) 3.910 27.448 ( 2.447 -0.192 0.000) 2.454 28.326 ( 0.232 -3.016 0.000) 3.024 47.400 ( -0.029 10.351 -0.000) 10.351 47.944 ( 2.947 -4.497 0.000) 5.376 49.288 ( -2.662 -11.404 0.000) 11.710 49.353 ( -9.682 -0.709 -0.000) 9.708 49.584 ( 3.087 0.391 0.000) 3.112 50.563 ( 0.004 2.365 -0.000) 2.365 50.783 ( 5.872 2.305 0.000) 6.308 51.439 ( -0.033 4.442 -0.000) 4.443 ======================= Grid point 113 (90/186) ======================= q-point: ( 0.09 -0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 10.440 26.547 -0.000) 28.526 2.740 ( 23.566 28.181 -0.000) 36.735 4.060 ( -3.590 49.214 -0.000) 49.345 4.463 ( 4.899 10.890 -0.000) 11.941 4.657 ( 7.417 1.795 0.000) 7.631 5.483 ( -7.032 3.754 -0.000) 7.971 6.428 ( 10.744 21.146 -0.000) 23.719 7.747 ( -8.923 -17.400 0.000) 19.555 7.792 ( -12.703 -12.568 -0.000) 17.870 8.040 ( 6.990 -14.504 0.000) 16.100 8.253 ( 7.154 -7.312 0.000) 10.229 9.016 ( -7.140 -0.133 -0.000) 7.141 12.341 ( 9.129 11.848 -0.000) 14.957 13.339 ( 9.871 48.878 -0.000) 49.864 15.910 ( 30.405 8.969 0.000) 31.700 16.481 ( -8.408 -5.868 -0.000) 10.254 17.734 ( 11.430 13.745 -0.000) 17.876 21.220 ( 6.945 -18.191 0.000) 19.472 22.216 ( 5.309 -9.238 0.000) 10.655 22.550 ( -2.510 7.403 -0.000) 7.817 22.644 ( -8.973 12.881 -0.000) 15.699 23.920 ( 6.560 12.888 -0.000) 14.461 25.437 ( 2.787 -20.534 0.000) 20.722 25.667 ( -7.273 3.816 -0.000) 8.214 26.113 ( -7.780 1.927 -0.000) 8.015 27.035 ( 1.028 5.858 -0.000) 5.948 27.483 ( -0.585 1.504 -0.000) 1.614 28.239 ( -1.144 -4.650 0.000) 4.788 47.686 ( 5.591 11.472 -0.000) 12.761 48.006 ( 11.379 -4.857 0.000) 12.372 49.003 ( -3.047 -9.803 0.000) 10.266 49.050 ( -14.804 -1.980 -0.000) 14.936 49.615 ( -2.414 2.271 -0.000) 3.314 50.625 ( 0.410 2.339 -0.000) 2.374 50.912 ( 1.350 2.900 -0.000) 3.198 51.542 ( 3.191 2.010 0.000) 3.772 ======================= Grid point 114 (91/186) ======================= q-point: ( 0.09 -0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 11.852 17.945 -0.000) 21.506 3.615 ( 16.731 17.995 -0.000) 24.571 4.492 ( -2.671 11.392 -0.000) 11.701 4.786 ( 6.392 7.439 -0.000) 9.808 5.051 ( 1.516 11.926 -0.000) 12.022 5.400 ( -8.743 4.377 -0.000) 9.777 6.658 ( -14.912 -4.886 -0.000) 15.692 7.156 ( -11.256 -19.699 0.000) 22.688 7.638 ( 7.613 12.744 -0.000) 14.845 7.957 ( 8.777 -5.608 0.000) 10.416 8.285 ( 8.620 -5.362 0.000) 10.151 8.880 ( -4.410 -2.496 -0.000) 5.067 12.965 ( 21.416 19.992 0.000) 29.298 14.408 ( -1.373 48.092 -0.000) 48.112 16.121 ( -9.785 -10.670 0.000) 14.477 16.918 ( 48.916 6.537 0.000) 49.351 18.261 ( 19.113 4.050 0.000) 19.537 20.852 ( 0.371 -18.339 0.000) 18.343 22.067 ( 9.704 -20.656 0.000) 22.822 22.569 ( -9.230 5.790 -0.000) 10.895 22.905 ( -10.345 30.502 -0.000) 32.209 24.354 ( 4.126 17.738 -0.000) 18.212 24.997 ( -2.107 -26.151 0.000) 26.235 25.716 ( 11.646 -2.481 0.000) 11.908 25.963 ( -9.661 1.217 -0.000) 9.738 27.198 ( 0.983 8.027 -0.000) 8.087 27.498 ( -2.453 3.587 -0.000) 4.346 28.100 ( -2.372 -5.427 0.000) 5.923 48.008 ( 8.675 3.050 0.000) 9.195 48.175 ( 15.076 -5.675 0.000) 16.108 48.737 ( -13.746 0.634 -0.000) 13.760 48.846 ( -1.691 1.651 -0.000) 2.363 49.598 ( -5.468 4.500 -0.000) 7.082 50.607 ( -4.249 -1.925 -0.000) 4.665 50.999 ( 2.023 3.705 -0.000) 4.221 51.624 ( 3.617 -1.125 0.000) 3.788 ======================= Grid point 115 (92/186) ======================= q-point: ( 0.09 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 11.459 11.846 -0.000) 16.482 4.103 ( 10.068 2.702 0.000) 10.424 4.650 ( 6.561 -4.515 0.000) 7.964 4.942 ( 2.794 -2.152 0.000) 3.527 4.985 ( -17.639 9.465 -0.000) 20.018 5.335 ( -8.879 6.999 -0.000) 11.306 6.074 ( -19.741 -8.055 -0.000) 21.321 6.544 ( -11.462 -17.940 0.000) 21.289 8.148 ( 9.870 8.239 0.000) 12.857 8.190 ( 12.218 3.472 0.000) 12.702 8.426 ( 9.227 5.392 0.000) 10.687 8.724 ( -3.067 -4.933 0.000) 5.808 13.931 ( 27.703 20.503 0.000) 34.465 15.202 ( -8.245 39.911 -0.000) 40.754 15.754 ( -0.640 -9.725 0.000) 9.746 17.781 ( 23.546 -15.465 0.000) 28.170 18.572 ( 29.527 -6.913 0.000) 30.325 20.897 ( 18.793 9.420 0.000) 21.022 21.763 ( 9.844 -29.617 0.000) 31.210 22.430 ( -13.626 4.313 -0.000) 14.293 23.327 ( -13.794 32.356 -0.000) 35.174 24.242 ( -13.247 -33.544 0.000) 36.065 24.777 ( 1.912 18.632 -0.000) 18.730 25.765 ( -10.098 -1.955 -0.000) 10.286 26.041 ( 25.164 -2.877 0.000) 25.328 27.375 ( -0.613 8.293 -0.000) 8.316 27.543 ( -2.557 5.902 -0.000) 6.432 27.929 ( -3.568 -5.706 0.000) 6.730 48.084 ( 6.345 -8.724 0.000) 10.787 48.318 ( 10.724 -8.285 0.000) 13.551 48.603 ( -5.175 7.485 -0.000) 9.100 49.032 ( 1.816 12.947 -0.000) 13.074 49.606 ( -5.403 8.471 -0.000) 10.048 50.359 ( -10.010 -8.067 -0.000) 12.856 51.149 ( 5.125 3.501 0.000) 6.206 51.630 ( 1.665 -3.767 0.000) 4.118 ======================= Grid point 116 (93/186) ======================= q-point: ( 0.09 -0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 10.010 5.296 0.000) 11.324 4.016 ( -3.153 -17.791 0.000) 18.068 4.588 ( 10.231 -3.851 0.000) 10.931 4.844 ( -3.711 -4.876 0.000) 6.128 5.112 ( -10.715 22.345 -0.000) 24.781 5.254 ( -9.885 4.125 -0.000) 10.711 5.815 ( -2.721 7.044 -0.000) 7.552 5.986 ( -10.823 -14.694 0.000) 18.249 8.289 ( 7.214 -6.306 0.000) 9.581 8.358 ( 9.253 -11.318 0.000) 14.619 8.639 ( -3.192 3.872 -0.000) 5.018 8.822 ( 4.297 13.771 -0.000) 14.426 14.412 ( 3.812 -8.929 0.000) 9.709 15.651 ( -16.640 26.598 -0.000) 31.374 16.131 ( 34.338 15.601 0.000) 37.716 17.141 ( -11.741 -37.080 0.000) 38.895 19.430 ( 46.803 2.670 0.000) 46.879 21.251 ( 0.890 -32.040 0.000) 32.053 21.817 ( 34.621 21.291 0.000) 40.643 22.227 ( -10.787 0.109 -0.000) 10.787 23.147 ( -21.656 -38.402 0.000) 44.088 23.569 ( -18.662 23.418 -0.000) 29.945 25.202 ( 4.940 16.732 -0.000) 17.447 25.455 ( -13.136 -5.513 -0.000) 14.246 26.549 ( 25.061 1.120 0.000) 25.086 27.475 ( -3.109 4.770 -0.000) 5.694 27.619 ( -2.370 5.988 -0.000) 6.440 27.715 ( -6.761 -5.364 -0.000) 8.631 48.009 ( 5.400 -9.210 0.000) 10.676 48.341 ( 3.262 -0.287 0.000) 3.275 48.757 ( 5.191 4.373 0.000) 6.787 49.248 ( -3.133 7.884 -0.000) 8.484 49.790 ( 0.445 14.714 -0.000) 14.721 49.903 ( -13.213 -13.243 0.000) 18.708 51.326 ( 6.654 1.934 0.000) 6.929 51.538 ( -1.297 -5.677 0.000) 5.823 ======================= Grid point 117 (94/186) ======================= q-point: ( 0.09 -0.09 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( -3.173 -17.471 0.000) 17.757 3.938 ( 8.052 -5.293 0.000) 9.636 4.615 ( -9.210 -4.223 -0.000) 10.132 4.884 ( 14.871 6.299 0.000) 16.150 5.315 ( -1.268 15.859 -0.000) 15.910 5.321 ( -9.456 19.143 -0.000) 21.351 5.533 ( -8.953 -10.295 0.000) 13.643 6.105 ( 8.263 12.850 -0.000) 15.277 8.234 ( 4.281 -10.764 0.000) 11.584 8.244 ( 6.818 -13.587 0.000) 15.201 8.595 ( -6.483 -0.644 -0.000) 6.515 9.066 ( -2.481 8.682 -0.000) 9.030 14.088 ( -2.279 -18.966 0.000) 19.103 15.224 ( -28.443 -26.667 -0.000) 38.989 16.551 ( -11.101 8.287 -0.000) 13.853 17.273 ( 39.888 13.397 0.000) 42.078 20.396 ( 42.836 2.488 0.000) 42.908 20.498 ( -11.249 -33.356 0.000) 35.201 21.911 ( -13.596 -30.664 0.000) 33.543 22.026 ( -16.642 -6.284 -0.000) 17.789 22.951 ( 36.444 16.581 0.000) 40.039 23.535 ( -18.773 12.459 -0.000) 22.531 25.032 ( -15.569 -6.933 -0.000) 17.043 25.635 ( 5.876 14.787 -0.000) 15.912 27.010 ( 13.566 3.668 0.000) 14.054 27.385 ( -3.868 -9.639 0.000) 10.386 27.495 ( -11.942 5.741 -0.000) 13.250 27.678 ( 0.302 2.611 -0.000) 2.628 47.950 ( 6.125 -8.144 0.000) 10.190 48.477 ( 3.911 6.321 -0.000) 7.433 48.926 ( 5.516 1.194 0.000) 5.644 49.279 ( -7.612 7.665 -0.000) 10.802 49.327 ( -14.468 -15.242 0.000) 21.015 50.124 ( 3.633 12.357 -0.000) 12.880 51.355 ( -4.008 -6.893 0.000) 7.973 51.482 ( 6.710 -0.091 0.000) 6.710 ======================= Grid point 118 (95/186) ======================= q-point: ( 0.09 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -6.175 -14.434 0.000) 15.700 3.715 ( -6.087 -19.807 0.000) 20.721 4.435 ( -3.571 0.824 -0.000) 3.665 5.167 ( -5.556 -8.357 0.000) 10.035 5.310 ( 1.506 9.562 -0.000) 9.680 5.649 ( 7.167 20.427 -0.000) 21.647 5.721 ( -2.963 20.785 -0.000) 20.995 6.599 ( 14.425 13.222 0.000) 19.568 8.047 ( 3.071 -13.126 0.000) 13.481 8.049 ( -4.853 -10.581 0.000) 11.641 8.413 ( -0.678 -6.513 0.000) 6.548 9.103 ( -5.688 4.302 -0.000) 7.131 13.613 ( -7.119 -19.088 0.000) 20.372 13.947 ( -27.469 -35.564 0.000) 44.937 16.642 ( -11.169 17.190 -0.000) 20.500 17.974 ( 21.030 -11.493 0.000) 23.965 19.434 ( -21.131 -37.050 0.000) 42.653 21.166 ( -2.298 -16.967 0.000) 17.122 21.226 ( 34.750 1.563 0.000) 34.785 21.765 ( -12.823 4.600 -0.000) 13.623 23.252 ( -15.836 1.664 -0.000) 15.923 23.996 ( 32.893 10.553 0.000) 34.544 24.587 ( -15.098 -5.754 -0.000) 16.158 26.000 ( 2.429 12.157 -0.000) 12.397 27.046 ( -9.963 -8.287 -0.000) 12.959 27.166 ( -2.850 1.668 -0.000) 3.302 27.399 ( -7.851 4.028 -0.000) 8.824 27.803 ( 8.513 1.464 0.000) 8.638 47.919 ( 6.915 -8.257 0.000) 10.770 48.636 ( -1.327 -11.147 0.000) 11.226 48.822 ( -10.526 8.266 -0.000) 13.384 49.039 ( 6.485 -1.840 0.000) 6.741 49.294 ( -8.357 10.457 -0.000) 13.386 50.398 ( 3.726 7.278 -0.000) 8.177 51.112 ( -5.598 -7.242 0.000) 9.153 51.583 ( 5.167 -2.033 0.000) 5.553 ======================= Grid point 119 (96/186) ======================= q-point: ( 0.09 -0.09 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -14.171 -12.106 -0.000) 18.638 3.015 ( -18.618 -21.999 0.000) 28.820 4.429 ( -1.385 1.824 -0.000) 2.291 4.838 ( -10.191 -7.634 -0.000) 12.733 5.460 ( -4.841 9.670 -0.000) 10.814 5.655 ( -28.464 -0.402 -0.000) 28.467 6.256 ( 11.354 12.257 -0.000) 16.708 7.222 ( 18.911 13.367 0.000) 23.158 7.669 ( -10.523 -5.092 -0.000) 11.690 7.974 ( 13.058 -8.241 0.000) 15.441 8.350 ( 6.385 -6.917 0.000) 9.413 9.060 ( -5.701 4.078 -0.000) 7.009 12.868 ( -19.140 -22.611 0.000) 29.624 13.031 ( -18.156 -12.427 -0.000) 22.002 16.717 ( -8.583 9.705 -0.000) 12.956 17.517 ( -12.186 -38.324 0.000) 40.215 18.417 ( -14.543 -24.339 0.000) 28.353 20.975 ( 7.583 -13.228 0.000) 15.247 21.830 ( 23.292 -0.197 0.000) 23.293 21.841 ( -4.561 21.812 -0.000) 22.284 22.931 ( -13.612 -2.655 -0.000) 13.868 24.210 ( -12.505 -4.078 -0.000) 13.153 24.771 ( 29.067 4.193 0.000) 29.368 26.190 ( -3.539 7.612 -0.000) 8.395 26.672 ( -12.392 -6.433 -0.000) 13.962 27.081 ( -4.969 0.231 -0.000) 4.974 27.356 ( -3.548 3.363 -0.000) 4.889 28.025 ( 8.415 2.463 0.000) 8.768 47.890 ( 6.771 -8.225 0.000) 10.653 48.145 ( -12.725 -12.157 -0.000) 17.599 49.001 ( 4.061 3.373 0.000) 5.279 49.188 ( 4.014 7.612 -0.000) 8.605 49.367 ( -6.154 10.771 -0.000) 12.405 50.571 ( 2.651 3.811 -0.000) 4.642 50.859 ( -5.803 -5.843 0.000) 8.235 51.603 ( 2.104 -3.320 0.000) 3.930 ======================= Grid point 120 (97/186) ======================= q-point: ( 0.09 -0.09 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -25.071 -9.123 -0.000) 26.679 2.178 ( -28.488 -11.084 -0.000) 30.569 4.305 ( -31.641 0.440 -0.000) 31.644 4.475 ( -11.256 -5.394 -0.000) 12.482 4.778 ( -20.633 -14.627 -0.000) 25.292 5.524 ( -5.433 6.876 -0.000) 8.764 6.275 ( -13.496 -5.956 -0.000) 14.752 7.736 ( 10.369 10.382 -0.000) 14.673 7.785 ( 14.883 7.468 0.000) 16.652 8.134 ( 17.314 -10.345 0.000) 20.169 8.350 ( 6.786 -6.772 0.000) 9.587 9.081 ( -3.032 6.997 -0.000) 7.625 12.283 ( -10.194 -7.456 -0.000) 12.630 12.465 ( -29.985 6.933 -0.000) 30.776 16.365 ( -18.369 -37.798 0.000) 42.025 16.700 ( -3.269 1.283 -0.000) 3.512 17.762 ( -15.039 -12.493 -0.000) 19.551 20.944 ( 7.062 -1.828 0.000) 7.294 22.150 ( 10.491 -1.335 0.000) 10.576 22.304 ( 4.845 19.222 -0.000) 19.823 22.632 ( -10.272 -2.584 -0.000) 10.592 23.905 ( -10.125 -3.930 -0.000) 10.861 25.350 ( 23.215 1.410 0.000) 23.257 26.202 ( -4.765 3.452 -0.000) 5.884 26.274 ( -12.470 -8.918 -0.000) 15.330 27.002 ( -4.015 0.411 -0.000) 4.036 27.386 ( -0.640 3.440 -0.000) 3.499 28.216 ( 5.756 1.918 0.000) 6.067 47.699 ( -12.708 -6.212 -0.000) 14.145 47.874 ( 5.938 -5.442 0.000) 8.055 49.129 ( 9.434 -2.667 0.000) 9.804 49.436 ( -2.442 3.214 -0.000) 4.036 49.438 ( 1.061 9.996 -0.000) 10.053 50.643 ( -1.718 -1.957 0.000) 2.604 50.701 ( -2.521 3.890 -0.000) 4.636 51.539 ( -1.711 -2.988 0.000) 3.443 ======================= Grid point 123 (98/186) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 0.000 -32.431) 32.431 0.679 ( 0.000 0.000 -32.431) 32.431 1.355 ( 0.000 0.000 -64.832) 64.832 4.167 ( 0.000 0.000 -0.503) 0.503 4.616 ( -0.000 -0.000 7.381) 7.381 5.360 ( -0.000 -0.000 4.850) 4.850 5.360 ( -0.000 -0.000 4.850) 4.850 8.061 ( -0.000 -0.000 19.690) 19.690 8.061 ( -0.000 -0.000 19.690) 19.690 8.372 ( -0.000 -0.000 7.040) 7.040 8.703 ( 0.000 0.000 -10.850) 10.850 8.703 ( 0.000 0.000 -10.850) 10.850 11.595 ( 0.000 0.000 -23.064) 23.064 11.595 ( 0.000 0.000 -23.064) 23.064 16.793 ( 0.000 0.000 -3.610) 3.610 17.034 ( 0.000 0.000 -6.077) 6.077 20.448 ( -0.000 -0.000 61.789) 61.789 20.448 ( -0.000 -0.000 61.789) 61.789 20.858 ( -0.000 -0.000 5.331) 5.331 22.932 ( 0.000 0.000 -43.355) 43.355 22.932 ( 0.000 0.000 -43.355) 43.355 23.111 ( 0.000 0.000 -19.407) 19.407 23.430 ( -0.000 -0.000 8.651) 8.651 26.166 ( 0.000 0.000 -3.224) 3.224 26.166 ( 0.000 0.000 -3.224) 3.224 27.373 ( -0.000 -0.000 8.752) 8.752 28.404 ( 0.000 0.000 -2.324) 2.324 29.486 ( -0.000 -0.000 3.488) 3.488 48.067 ( 0.000 0.000 -1.816) 1.816 48.067 ( 0.000 0.000 -1.816) 1.816 49.374 ( 0.000 0.000 -0.795) 0.795 49.594 ( 0.000 0.000 -1.725) 1.725 49.594 ( 0.000 0.000 -1.725) 1.725 49.610 ( -0.000 -0.000 0.760) 0.760 50.544 ( 0.000 0.000 -2.727) 2.727 51.287 ( -0.000 -0.000 1.467) 1.467 ======================= Grid point 126 (99/186) ======================= q-point: (-0.10 -0.10 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 13.937 16.375 -6.068) 22.342 3.353 ( 10.813 31.440 -4.695) 33.578 4.224 ( 5.158 2.579 8.594) 10.350 4.754 ( 9.381 6.734 3.748) 12.141 5.190 ( 11.454 2.374 -2.570) 11.977 5.409 ( 5.059 -1.453 -8.271) 9.803 6.397 ( -15.966 -5.212 0.774) 16.813 7.076 ( -10.080 -9.774 13.526) 19.496 7.706 ( 4.687 2.475 -2.454) 5.841 7.958 ( 3.518 -1.263 9.131) 9.866 8.724 ( -6.485 -1.789 -14.860) 16.312 8.846 ( 4.456 -2.748 0.722) 5.284 13.000 ( 22.591 19.008 -5.773) 30.083 13.586 ( 1.902 42.996 -14.372) 45.374 16.346 ( 2.725 -14.785 -2.359) 15.218 17.798 ( 28.690 12.410 -12.897) 33.815 18.632 ( 22.828 17.277 -17.867) 33.747 20.984 ( -3.036 -16.584 26.851) 31.706 21.161 ( -4.981 28.589 40.651) 49.947 22.316 ( -4.391 -3.985 5.332) 7.974 23.068 ( -3.248 2.237 -33.635) 33.865 24.022 ( 4.080 8.355 12.940) 15.934 25.235 ( -16.242 -9.613 -5.444) 19.643 25.924 ( 1.300 -6.479 0.330) 6.617 26.335 ( 21.334 -2.289 -8.584) 23.110 27.140 ( -0.435 0.786 -3.983) 4.083 27.379 ( -3.256 1.889 -1.962) 4.245 28.104 ( -5.570 -3.590 0.503) 6.646 48.030 ( 10.836 8.373 6.276) 15.064 48.252 ( -4.505 9.712 -1.079) 10.761 48.809 ( 1.839 -8.739 1.218) 9.013 49.013 ( 4.347 -15.750 -8.561) 18.446 49.381 ( -7.523 4.190 -2.673) 9.016 50.559 ( -4.189 -2.725 2.127) 5.431 50.937 ( 2.938 7.428 -1.941) 8.221 51.640 ( 1.472 1.848 2.602) 3.514 ======================= Grid point 127 (100/186) ======================= q-point: (-0.10 -0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 10.240 14.003 -2.261) 17.494 4.094 ( 9.361 21.153 -1.198) 23.163 4.284 ( -3.599 3.361 5.811) 7.617 4.973 ( 6.169 -5.689 5.551) 10.061 5.217 ( -1.562 -0.262 -4.547) 4.814 5.345 ( 3.240 -15.425 -7.607) 17.502 5.770 ( -21.255 -8.619 1.116) 22.963 6.562 ( -14.315 -13.298 4.752) 20.108 8.116 ( 11.858 10.994 1.552) 16.245 8.166 ( 6.698 9.605 2.344) 11.942 8.617 ( -3.655 1.015 -8.380) 9.199 8.840 ( 4.474 -6.695 2.026) 8.304 14.039 ( 31.452 26.793 -0.568) 41.321 14.373 ( -6.059 38.516 -14.096) 41.460 16.106 ( 7.472 -17.386 -2.662) 19.110 18.134 ( -6.413 -10.866 13.102) 18.189 19.485 ( 36.160 8.778 -18.929) 41.749 21.000 ( 15.394 11.670 9.060) 21.336 21.536 ( -11.608 17.431 16.484) 26.652 22.186 ( -4.130 6.051 11.664) 13.774 22.989 ( -1.019 -5.871 -21.736) 22.538 24.094 ( -12.600 -6.420 17.568) 22.552 24.771 ( -6.141 0.192 -13.291) 14.642 25.757 ( -2.114 -10.009 1.556) 10.347 26.731 ( 22.889 -2.845 -6.833) 24.056 27.213 ( -1.165 6.635 -0.327) 6.744 27.387 ( -1.007 2.845 0.309) 3.034 27.902 ( -7.102 -3.862 1.133) 8.163 48.197 ( -3.890 4.211 5.359) 7.848 48.412 ( 5.728 -3.226 1.474) 6.737 48.803 ( 0.420 6.011 0.003) 6.026 48.918 ( 13.317 -7.621 -6.426) 16.635 49.334 ( -7.145 6.793 -3.296) 10.395 50.334 ( -7.287 -7.956 1.704) 10.922 51.162 ( 5.117 6.449 -1.423) 8.354 51.653 ( -1.516 -0.525 1.811) 2.420 ======================= Grid point 128 (101/186) ======================= q-point: (-0.10 -0.10 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 8.718 11.920 -0.543) 14.778 4.143 ( -8.390 -6.278 1.803) 10.633 4.584 ( 3.382 13.717 0.485) 14.136 4.811 ( 2.034 -10.455 4.267) 11.474 5.067 ( -4.642 -7.285 -3.673) 9.387 5.079 ( -3.046 -6.354 -5.870) 9.171 5.630 ( 3.568 9.933 0.418) 10.563 6.030 ( -11.416 -12.852 1.475) 17.253 8.418 ( 3.456 5.645 2.505) 7.077 8.479 ( 2.560 3.731 -0.649) 4.571 8.622 ( -2.219 7.645 -1.689) 8.138 8.764 ( 4.462 -9.928 1.101) 10.940 14.888 ( -9.790 28.642 -15.116) 33.833 14.986 ( 20.508 -0.722 -10.272) 22.948 16.216 ( 22.062 11.575 11.226) 27.326 17.284 ( -27.423 -30.051 19.278) 45.019 20.381 ( 37.678 4.471 -11.954) 39.781 21.124 ( -29.626 0.474 -1.100) 29.650 22.039 ( 29.553 27.224 -3.097) 40.300 22.468 ( 0.883 18.354 12.097) 21.999 22.786 ( 0.121 -13.831 -3.739) 14.328 23.237 ( -30.175 -25.076 2.844) 39.337 25.021 ( 7.746 12.729 -1.866) 15.017 25.436 ( -6.716 -12.468 1.033) 14.199 27.108 ( 19.269 -3.562 -4.785) 20.171 27.283 ( -6.841 5.755 -2.675) 9.332 27.458 ( 0.740 5.529 3.280) 6.471 27.660 ( -6.999 -5.549 2.229) 9.206 48.214 ( -1.942 4.672 1.948) 5.422 48.317 ( 0.301 -7.264 -0.531) 7.289 48.950 ( 9.449 -2.228 -0.417) 9.717 49.052 ( -3.185 2.510 -1.062) 4.192 49.510 ( 4.214 15.476 -1.244) 16.087 49.956 ( -8.240 -13.465 1.093) 15.824 51.386 ( 5.399 4.859 -0.510) 7.282 51.562 ( -4.057 -2.826 0.633) 4.985 ======================= Grid point 134 (102/186) ======================= q-point: (-0.29 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -12.048 -26.403 -16.735) 33.501 2.154 ( 3.452 -18.800 -22.310) 29.378 3.351 ( 2.628 -39.946 -11.887) 41.760 4.295 ( -0.238 1.845 11.146) 11.300 4.500 ( 2.458 -13.586 -14.913) 20.322 5.389 ( 0.841 -7.183 5.265) 8.946 5.744 ( -2.254 -21.543 4.245) 22.073 7.512 ( -0.354 7.868 17.867) 19.526 7.564 ( 1.822 5.531 15.086) 16.171 8.134 ( 0.193 0.996 11.510) 11.555 8.758 ( -1.158 8.202 -10.836) 13.640 9.202 ( -0.166 -4.803 -0.283) 4.814 12.272 ( 1.072 -4.017 -28.233) 28.537 12.986 ( -5.276 -34.234 -31.542) 46.848 16.676 ( 2.769 9.556 -0.216) 9.951 17.280 ( 3.180 -0.513 -12.530) 12.937 18.561 ( 4.245 16.032 -44.732) 47.707 19.341 ( -12.594 -5.881 50.899) 52.763 20.302 ( 4.470 -4.893 57.980) 58.357 22.881 ( 1.846 10.949 -17.569) 20.783 23.285 ( 0.345 -6.640 17.125) 18.371 23.791 ( -7.275 -2.333 -29.674) 30.641 25.228 ( 5.466 -28.283 -1.934) 28.871 25.936 ( -0.941 14.778 -7.141) 16.440 26.346 ( 0.400 -3.901 -4.404) 5.897 27.140 ( 0.752 -1.685 11.508) 11.655 28.334 ( -0.335 15.207 -8.993) 17.670 28.411 ( 0.369 18.289 -13.418) 22.686 47.702 ( 1.634 3.181 -9.478) 10.131 47.992 ( -4.299 5.167 -2.216) 7.078 49.359 ( 0.727 1.471 0.361) 1.680 49.392 ( 0.208 7.677 -4.661) 8.984 49.583 ( 7.878 -0.063 -0.915) 7.931 50.436 ( -5.230 -14.848 8.862) 18.065 50.670 ( -0.644 -2.482 -4.381) 5.076 51.348 ( -0.023 -3.589 4.323) 5.619 ======================= Grid point 135 (103/186) ======================= q-point: (-0.29 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 23.409 -10.270 -20.398) 32.703 1.943 ( 17.846 -23.439 -20.670) 35.988 2.879 ( 17.376 -19.890 -29.074) 39.279 4.343 ( 4.052 -0.739 -4.650) 6.212 4.364 ( -0.380 -4.125 4.550) 6.153 5.302 ( 2.956 -4.087 5.796) 7.684 5.519 ( 14.551 -12.607 6.944) 20.466 7.568 ( -5.507 5.705 17.508) 19.220 7.636 ( -2.536 1.223 17.856) 18.077 8.138 ( -1.181 1.130 12.442) 12.549 8.883 ( 0.680 1.682 -8.471) 8.663 9.080 ( 4.661 -5.784 -2.507) 7.840 12.402 ( 0.207 -16.969 -32.253) 36.445 12.442 ( 21.161 -2.133 -33.293) 39.506 16.792 ( -5.172 3.802 -3.103) 7.130 17.263 ( 2.630 -4.607 -7.992) 9.592 18.839 ( -17.749 8.671 -16.016) 25.431 19.277 ( 14.123 1.289 62.314) 63.908 20.307 ( -8.941 5.052 31.891) 33.503 23.026 ( -11.042 8.972 -21.753) 25.993 23.210 ( 1.877 -2.298 15.465) 15.747 23.764 ( 6.425 1.687 -29.220) 29.966 24.829 ( 22.247 -27.889 -8.152) 36.595 26.193 ( -0.758 5.120 -4.781) 7.046 26.211 ( -3.896 -0.272 -7.133) 8.132 27.124 ( -0.106 -0.334 14.157) 14.162 28.417 ( -2.414 2.591 -2.779) 4.501 28.739 ( -23.350 23.019 -16.127) 36.540 47.743 ( -8.435 7.175 -10.520) 15.274 48.139 ( 3.102 1.041 -2.844) 4.335 49.277 ( -7.070 5.119 -0.383) 8.737 49.497 ( 0.455 2.409 -0.024) 2.452 49.600 ( -7.646 -3.371 -4.774) 9.623 50.223 ( 17.149 -10.435 9.570) 22.239 50.652 ( 1.996 -1.731 -4.615) 5.318 51.309 ( 3.005 -2.947 3.832) 5.692 ======================= Grid point 139 (104/186) ======================= q-point: (-0.29 -0.11 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 5.022 11.248 -5.756) 13.597 3.820 ( -1.471 17.406 -5.345) 18.268 4.250 ( 11.912 2.470 5.053) 13.173 5.068 ( 7.225 5.214 4.081) 9.800 5.396 ( -4.722 -12.580 -3.013) 13.771 5.572 ( -4.871 -14.560 0.496) 15.361 5.932 ( -3.596 -19.947 -0.804) 20.284 6.438 ( -3.018 -10.197 4.699) 11.626 7.995 ( 1.755 11.477 0.606) 11.626 8.218 ( 8.839 7.257 -5.397) 12.646 8.486 ( -9.867 7.913 -2.853) 12.966 8.941 ( 2.666 -2.755 6.541) 7.581 13.729 ( -3.195 33.618 -9.939) 35.201 14.462 ( 25.946 13.871 -17.489) 34.226 16.758 ( 7.268 -6.485 -6.445) 11.680 17.590 ( -19.426 -12.459 21.542) 31.570 20.048 ( -4.645 27.323 31.380) 41.867 20.123 ( 18.233 31.209 -25.162) 44.041 21.027 ( 3.442 23.749 5.315) 24.578 22.065 ( -5.741 -13.826 -3.776) 15.439 23.551 ( 3.845 -8.378 -11.282) 14.569 23.836 ( -0.981 -12.004 6.961) 13.911 24.806 ( -6.005 4.778 -8.787) 11.666 25.918 ( -1.035 -12.015 3.563) 12.575 26.746 ( 2.930 12.430 13.342) 18.469 27.352 ( 1.108 -2.962 -6.212) 6.971 27.518 ( 7.011 -3.914 -4.953) 9.434 27.769 ( -7.719 -1.699 1.221) 7.997 47.910 ( -3.429 7.102 0.230) 7.890 48.493 ( 12.581 10.509 7.890) 18.193 48.708 ( -4.446 -7.782 0.161) 8.964 49.121 ( -7.711 2.079 -3.571) 8.749 49.510 ( 4.239 -7.047 -6.931) 10.755 50.353 ( -1.220 -8.936 2.476) 9.352 51.154 ( 3.772 6.685 -1.499) 7.820 51.562 ( -2.080 1.817 0.810) 2.879 ======================= Grid point 140 (105/186) ======================= q-point: ( 0.71 -0.11 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( -1.468 12.511 0.087) 12.598 3.947 ( -5.967 8.664 -3.076) 10.960 4.623 ( 12.486 4.874 -0.854) 13.431 4.781 ( -18.752 -9.539 3.726) 21.366 5.282 ( 13.952 -6.020 2.019) 15.329 5.413 ( 0.589 -12.400 0.018) 12.414 5.569 ( -0.671 -2.334 -1.357) 2.782 6.163 ( 1.628 -13.475 -3.814) 14.098 8.168 ( -6.196 11.595 -0.228) 13.149 8.406 ( -7.468 9.008 -2.625) 11.992 8.574 ( 6.969 1.572 -0.724) 7.181 8.923 ( 2.968 -6.247 6.363) 9.398 14.256 ( -12.012 32.648 -9.208) 35.986 15.376 ( 20.270 23.442 3.584) 31.197 16.543 ( -20.124 -10.744 14.035) 26.784 16.886 ( 8.688 -28.249 -7.273) 30.436 20.313 ( -16.402 17.279 9.269) 25.564 21.062 ( 7.333 30.029 -22.878) 38.457 21.522 ( -17.883 22.986 10.327) 30.900 21.816 ( 3.046 5.271 4.570) 7.612 23.324 ( -6.652 -16.323 -12.989) 21.895 23.466 ( 12.547 -19.035 5.281) 23.402 25.011 ( 8.396 5.941 1.383) 10.378 25.615 ( -1.011 -13.393 0.928) 13.463 27.021 ( -4.034 9.698 4.313) 11.355 27.308 ( -3.389 2.048 -0.735) 4.027 27.482 ( 1.326 -2.430 2.180) 3.524 27.699 ( 5.568 -5.963 -2.362) 8.493 48.002 ( -2.529 7.342 -2.689) 8.218 48.462 ( -2.845 -6.967 0.797) 7.567 48.910 ( 2.646 1.912 3.887) 5.076 49.039 ( -0.263 7.842 1.913) 8.077 49.505 ( 2.555 -0.310 -2.009) 3.265 50.128 ( 1.634 -12.170 -0.410) 12.286 51.321 ( -0.996 5.790 1.360) 6.030 51.538 ( -1.042 0.008 -2.230) 2.461 ======================= Grid point 141 (106/186) ======================= q-point: ( 0.71 -0.11 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -10.469 2.834 4.276) 11.659 4.066 ( -1.117 2.838 -1.871) 3.578 4.392 ( -12.055 8.054 4.736) 15.252 4.941 ( 8.688 5.980 -3.086) 10.989 5.172 ( 6.719 -16.943 -2.018) 18.338 5.421 ( 10.278 -3.906 -2.580) 11.294 5.631 ( 4.432 0.362 3.694) 5.781 6.134 ( 11.377 0.658 -3.915) 12.050 8.209 ( -9.438 5.727 0.887) 11.075 8.435 ( -6.182 8.950 2.163) 11.090 8.612 ( -0.698 -6.938 -0.927) 7.034 8.811 ( 0.552 -5.013 -0.561) 5.074 14.462 ( -22.208 12.893 -3.299) 25.890 15.282 ( -29.304 -1.997 26.193) 39.355 16.583 ( 19.813 -28.095 -33.261) 47.836 16.793 ( 18.645 21.751 16.905) 33.264 19.999 ( -31.867 3.243 -21.628) 38.649 21.371 ( -26.478 6.878 23.539) 36.089 21.464 ( -22.171 18.371 -8.704) 30.080 21.885 ( 4.758 -4.530 6.625) 9.329 23.344 ( 18.411 4.857 -6.841) 20.232 23.471 ( 18.853 -8.982 4.601) 21.384 25.054 ( -4.458 -7.124 6.161) 10.420 25.576 ( 12.752 -1.004 -4.114) 13.436 26.819 ( -18.920 1.589 -10.514) 21.703 27.409 ( 1.963 1.332 4.390) 4.990 27.538 ( 3.445 -0.117 4.206) 5.438 27.683 ( 5.661 -3.585 -0.549) 6.723 48.030 ( -6.001 2.641 -1.057) 6.641 48.403 ( 2.126 3.449 -2.803) 4.927 48.765 ( -8.191 -1.844 -0.873) 8.441 49.195 ( 2.194 -5.362 2.421) 6.279 49.568 ( 1.109 1.193 7.204) 7.386 50.076 ( 10.717 -1.869 -4.534) 11.786 51.309 ( -6.298 1.406 0.874) 6.512 51.556 ( 0.798 1.099 -0.866) 1.611 ======================= Grid point 142 (107/186) ======================= q-point: (-0.29 -0.11 -0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -10.380 -6.428 -0.428) 12.217 3.851 ( -11.498 -4.037 8.941) 15.114 4.519 ( -7.824 10.900 2.650) 13.676 4.883 ( 2.635 -19.459 -2.548) 19.801 5.244 ( 9.163 5.757 -5.818) 12.286 5.625 ( 11.975 -8.248 -8.730) 16.960 5.855 ( 15.574 10.769 7.158) 20.243 6.547 ( 15.330 9.277 2.913) 18.154 7.956 ( -12.696 -7.572 3.192) 15.123 8.246 ( -10.088 -12.891 -0.034) 16.369 8.531 ( -6.448 9.592 2.411) 11.807 8.842 ( 2.856 3.875 -9.167) 10.354 13.727 ( -32.152 -14.422 6.876) 35.903 15.108 ( -5.304 4.616 5.686) 9.042 16.244 ( 4.479 -22.271 -22.300) 31.833 17.572 ( 5.231 18.343 10.315) 21.685 19.380 ( -27.274 -0.177 -29.887) 40.461 20.633 ( -34.144 -6.939 8.188) 35.791 21.154 ( -21.877 -0.293 22.800) 31.600 22.091 ( 16.497 -3.391 7.874) 18.592 23.629 ( 12.590 -1.861 -7.428) 14.736 23.921 ( 13.600 2.365 12.174) 18.405 24.875 ( -4.577 5.252 -1.954) 7.236 25.829 ( 11.155 -0.622 -2.435) 11.435 26.492 ( -16.547 3.155 -16.384) 23.499 27.427 ( 3.324 -6.365 4.845) 8.662 27.455 ( 1.159 -5.327 -3.514) 6.486 27.859 ( 3.543 7.150 3.204) 8.599 47.929 ( -6.985 1.466 4.289) 8.327 48.551 ( -13.025 3.620 -4.544) 14.262 48.615 ( 9.059 2.486 -4.648) 10.481 48.998 ( -1.073 -9.773 1.452) 9.938 49.597 ( 4.174 -3.352 0.904) 5.429 50.361 ( 10.433 4.371 0.118) 11.312 51.180 ( -5.349 -1.759 -1.184) 5.754 51.570 ( -1.915 1.055 2.601) 3.398 ======================= Grid point 145 (108/186) ======================= q-point: (-0.48 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 1.328 -6.745 -1.356) 7.007 3.121 ( 0.915 -10.091 -14.752) 17.897 4.000 ( -6.316 -5.120 6.872) 10.646 4.536 ( 1.616 -14.625 -0.195) 14.716 5.742 ( -1.168 -13.719 -0.859) 13.795 5.859 ( 5.112 -26.928 -3.276) 27.604 6.600 ( -7.429 -14.437 0.077) 16.236 6.840 ( 1.631 7.749 7.282) 10.758 7.205 ( 0.523 -0.425 5.431) 5.473 7.909 ( 5.412 -1.773 11.550) 12.878 8.432 ( 0.100 18.025 -9.585) 20.415 9.080 ( -3.389 7.996 -0.844) 8.726 12.828 ( 3.568 3.524 -19.770) 20.396 15.047 ( -14.546 -28.939 -30.777) 44.679 15.989 ( 19.229 15.954 16.952) 30.194 17.401 ( -3.879 1.261 7.408) 8.457 18.652 ( -7.887 -8.376 36.136) 37.923 19.448 ( 0.624 3.772 -44.845) 45.008 19.869 ( 2.457 -22.589 24.204) 33.199 22.810 ( 4.189 7.459 -12.649) 15.271 23.486 ( -0.327 -22.493 15.863) 27.526 24.090 ( -2.348 7.920 -5.753) 10.067 25.281 ( 4.966 21.768 -6.427) 23.233 25.903 ( -5.969 -5.076 -2.505) 8.226 26.407 ( -2.139 -2.400 5.341) 6.234 27.396 ( 3.759 -12.273 -2.856) 13.150 27.784 ( -0.528 14.720 -5.028) 15.564 28.062 ( -0.506 10.424 0.740) 10.462 47.717 ( 3.827 2.693 -0.051) 4.680 47.934 ( -7.101 -1.631 -1.413) 7.422 49.199 ( 1.997 8.167 -7.127) 11.022 49.304 ( -3.202 0.879 0.277) 3.332 49.610 ( 8.221 -0.098 -0.718) 8.253 50.714 ( -1.259 -5.831 2.469) 6.456 50.861 ( -3.022 -1.773 -2.513) 4.312 51.341 ( 0.696 -2.135 4.967) 5.451 ======================= Grid point 146 (109/186) ======================= q-point: (-0.48 -0.12 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 7.252 -16.727 -11.745) 21.687 2.963 ( 9.360 -12.850 -18.139) 24.120 3.777 ( -1.039 -8.829 10.105) 13.459 4.309 ( 6.666 -14.387 2.254) 16.015 5.323 ( 1.207 -20.438 -7.040) 21.650 5.547 ( 2.431 -13.840 1.506) 14.132 6.215 ( 4.846 -17.270 -4.240) 18.432 6.950 ( -8.418 10.089 11.958) 17.766 7.237 ( 0.919 -0.048 8.989) 9.036 7.915 ( 1.470 -3.346 11.800) 12.353 8.791 ( 4.021 11.243 -8.013) 14.380 9.160 ( -2.972 5.179 -0.097) 5.972 13.126 ( 20.164 2.644 -29.442) 35.783 14.155 ( -12.382 -29.251 -37.140) 48.870 16.551 ( 8.209 6.566 5.670) 11.943 17.469 ( 5.971 0.940 15.310) 16.460 18.328 ( 3.073 -11.571 42.330) 43.990 19.299 ( 5.807 -26.396 14.404) 30.626 19.898 ( 11.050 8.249 -25.304) 28.818 23.006 ( -6.302 11.636 -20.949) 24.778 23.077 ( -0.303 -14.394 22.138) 26.407 24.169 ( -0.447 4.148 -17.546) 18.035 25.651 ( -6.687 -3.463 -1.395) 7.659 25.826 ( 11.147 11.867 -3.121) 16.577 26.297 ( -4.675 -1.005 9.000) 10.191 27.209 ( 1.808 -12.427 -1.758) 12.680 28.056 ( -5.728 17.416 -5.316) 19.089 28.246 ( -3.269 10.752 -2.692) 11.556 47.790 ( -3.744 -1.529 -2.064) 4.541 47.940 ( 7.891 7.149 -1.881) 10.813 49.151 ( -9.789 1.373 1.983) 10.082 49.411 ( 1.857 5.455 -5.980) 8.305 49.798 ( 3.841 1.012 -5.726) 6.968 50.433 ( -5.425 -8.620 5.540) 11.594 50.839 ( 3.409 -2.555 -4.329) 6.074 51.332 ( 2.953 -2.823 6.107) 7.348 ======================= Grid point 147 (110/186) ======================= q-point: (-0.48 -0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 14.713 -13.844 -8.639) 21.972 2.960 ( 13.535 -12.648 -12.471) 22.331 3.712 ( 14.369 -6.928 -2.947) 16.222 4.209 ( 5.718 -10.098 6.747) 13.423 5.100 ( 10.106 -11.627 -12.499) 19.837 5.401 ( 4.871 -6.886 4.598) 9.607 6.138 ( 18.362 -14.360 -3.919) 23.637 6.932 ( -11.791 9.451 12.081) 19.347 7.255 ( -1.296 2.690 9.769) 10.215 7.863 ( -0.012 -2.788 13.040) 13.335 8.978 ( -2.463 2.316 -6.002) 6.889 9.177 ( 0.080 2.125 -0.730) 2.248 13.419 ( -8.146 -20.356 -36.602) 42.666 13.748 ( 35.932 -0.449 -33.384) 49.049 16.484 ( -15.138 -2.416 12.118) 19.541 17.574 ( 6.703 -4.029 4.667) 9.107 18.521 ( 26.271 -2.507 47.250) 54.120 18.923 ( 11.445 -24.971 28.752) 39.765 20.116 ( -1.869 -0.956 -35.376) 35.438 22.890 ( -1.746 -0.201 14.356) 14.464 23.060 ( -8.272 7.411 -12.121) 16.440 24.279 ( 2.050 3.592 -17.215) 17.705 25.474 ( 2.024 -6.416 -0.858) 6.782 26.060 ( -7.295 2.493 3.006) 8.275 26.370 ( 9.484 5.442 -5.795) 12.375 26.985 ( -0.121 -9.042 4.089) 9.924 28.212 ( -11.538 14.364 -5.400) 19.200 28.313 ( -8.597 6.910 -4.320) 11.845 47.716 ( -2.200 0.058 -1.944) 2.936 48.243 ( 6.122 3.526 -2.240) 7.411 49.004 ( -7.790 5.160 -0.598) 9.363 49.494 ( -0.991 0.944 -2.935) 3.239 49.634 ( -9.550 -4.861 -7.635) 13.157 50.399 ( 7.128 0.490 5.738) 9.164 50.871 ( 5.019 -3.110 -4.263) 7.282 51.333 ( 3.178 -3.428 6.382) 7.910 ======================= Grid point 148 (111/186) ======================= q-point: (-0.48 -0.12 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 12.023 -4.872 -1.682) 13.081 2.982 ( 12.911 -10.019 -13.410) 21.140 4.045 ( 18.005 -9.390 4.270) 20.751 4.141 ( 10.588 -0.116 1.257) 10.663 5.285 ( 21.078 -1.013 -13.572) 25.090 5.492 ( 10.596 -0.173 2.734) 10.944 6.329 ( 23.281 -9.335 -1.786) 25.147 6.892 ( -11.161 9.528 10.498) 18.043 7.270 ( -1.258 -0.085 7.440) 7.546 7.829 ( -0.748 1.191 13.994) 14.065 8.787 ( -12.501 -3.066 -7.393) 14.844 9.221 ( -1.634 0.239 -0.225) 1.667 12.971 ( -4.388 -10.367 -29.555) 31.626 14.513 ( 39.635 -3.538 -32.401) 51.315 16.109 ( -19.682 4.889 19.339) 28.023 17.538 ( 2.261 -8.499 -3.042) 9.306 18.670 ( 11.182 -14.481 32.706) 37.476 19.200 ( 32.014 -1.006 35.914) 48.122 19.823 ( -11.363 -8.898 -33.998) 36.935 22.872 ( -10.642 8.021 -12.410) 18.209 23.133 ( 10.710 0.665 14.161) 17.767 24.278 ( -4.920 -1.450 -8.188) 9.662 25.469 ( -3.886 3.086 -3.537) 6.093 25.938 ( -1.534 -2.589 -3.437) 4.568 26.461 ( 0.451 -5.541 -3.878) 6.778 27.054 ( 11.050 4.436 4.005) 12.563 28.100 ( -19.003 5.461 -8.939) 21.699 28.232 ( -8.270 2.643 0.257) 8.686 47.698 ( -1.628 1.839 -0.867) 2.605 48.156 ( -2.501 -10.951 -3.118) 11.658 49.174 ( -0.833 15.081 -3.133) 15.425 49.347 ( -8.909 0.923 -8.194) 12.139 49.526 ( 1.387 -2.300 1.952) 3.320 50.571 ( 6.232 2.061 3.451) 7.416 50.893 ( 4.721 -4.966 -3.044) 7.497 51.321 ( 2.014 -2.525 6.340) 7.115 ======================= Grid point 152 (112/186) ======================= q-point: ( 0.52 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -11.359 10.490 5.320) 16.351 3.755 ( -7.189 13.370 -8.360) 17.330 4.360 ( -21.270 -3.500 3.433) 21.828 4.717 ( 0.733 8.456 -4.730) 9.717 5.372 ( 1.138 0.487 7.826) 7.923 5.485 ( -0.891 -4.940 5.547) 7.481 6.124 ( 14.422 -19.603 -5.609) 24.975 6.698 ( 5.433 -13.260 -9.165) 17.010 7.751 ( -11.411 13.526 -5.586) 18.557 8.038 ( -6.611 8.966 3.426) 11.655 8.709 ( 7.750 4.868 -1.686) 9.306 8.925 ( 3.475 -5.700 10.260) 12.241 13.430 ( -13.822 28.099 2.684) 31.429 14.793 ( -33.967 0.022 18.465) 38.661 16.133 ( 9.624 2.420 5.855) 11.522 17.856 ( 8.732 4.736 -10.309) 14.316 19.343 ( -4.005 24.074 25.024) 34.954 20.463 ( -9.343 21.038 -8.469) 24.528 20.912 ( -21.690 15.453 -35.554) 44.422 22.108 ( 5.338 -11.022 -2.880) 12.581 23.620 ( -1.287 -7.063 10.714) 12.897 23.858 ( -4.223 -7.929 -11.623) 14.690 25.116 ( 14.463 -2.368 6.142) 15.890 25.833 ( 1.628 -7.257 0.060) 7.438 26.546 ( 1.171 15.139 14.032) 20.675 27.221 ( -8.532 -1.893 -3.127) 9.282 27.464 ( 2.092 -2.677 5.322) 6.314 27.989 ( 5.636 -4.686 -2.039) 7.608 47.949 ( -0.390 7.645 -7.488) 10.709 48.435 ( -7.349 -1.972 0.408) 7.620 48.799 ( -0.872 5.189 3.500) 6.320 48.906 ( 10.500 -0.053 8.046) 13.228 49.524 ( -3.653 -4.700 2.421) 6.426 50.444 ( 3.516 -7.796 -2.557) 8.927 51.110 ( -5.017 4.093 2.363) 6.893 51.583 ( 0.048 2.140 -4.282) 4.787 ======================= Grid point 153 (113/186) ======================= q-point: ( 0.52 -0.12 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -11.318 9.531 7.584) 16.627 3.715 ( -23.310 11.387 8.066) 27.168 4.100 ( -0.345 3.057 -9.344) 9.837 4.883 ( -4.140 10.289 -3.603) 11.662 5.357 ( 4.421 2.428 4.284) 6.618 5.704 ( 9.410 3.879 2.858) 10.572 6.048 ( 17.039 -13.904 -0.040) 21.992 6.591 ( 7.626 -10.470 -12.233) 17.816 7.818 ( -10.418 13.580 -5.354) 17.933 8.074 ( -4.573 5.386 5.637) 9.039 8.696 ( -5.030 -9.594 4.106) 11.585 8.924 ( 4.120 -0.730 -0.357) 4.199 13.642 ( -21.057 15.599 11.954) 28.803 14.064 ( -27.865 9.520 24.446) 38.271 16.560 ( 12.803 9.793 6.362) 17.329 17.915 ( 2.197 -9.422 -19.261) 21.555 19.664 ( -16.514 24.125 21.361) 36.208 20.122 ( -34.169 -1.419 -26.659) 43.362 20.852 ( -15.258 12.847 -14.381) 24.589 22.167 ( 12.376 -4.435 1.185) 13.200 23.550 ( 3.965 -2.345 18.412) 18.979 23.771 ( 1.887 3.554 -14.989) 15.520 25.074 ( 2.317 -16.591 11.097) 20.094 25.915 ( 10.236 0.884 -3.285) 10.786 26.666 ( -10.899 5.730 -7.963) 14.664 27.262 ( 6.108 7.737 6.177) 11.632 27.442 ( 0.689 -1.716 7.425) 7.652 27.944 ( 3.000 -8.256 -1.495) 8.911 47.974 ( -6.164 -1.269 -4.849) 7.945 48.274 ( -8.892 6.976 -3.132) 11.728 48.786 ( 4.956 -2.717 0.371) 5.664 49.247 ( 2.551 -2.864 4.672) 6.045 49.415 ( 6.882 2.998 9.575) 12.167 50.406 ( 5.339 -3.885 -4.084) 7.764 51.068 ( -6.901 4.375 2.768) 8.627 51.587 ( -1.846 -0.167 -3.262) 3.751 ======================= Grid point 156 (114/186) ======================= q-point: ( 0.33 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 3.081 8.537 4.255) 10.024 3.210 ( 9.410 13.149 -0.829) 16.191 4.305 ( -0.026 -5.631 -7.916) 9.714 4.775 ( -1.307 4.022 -1.748) 4.576 5.821 ( 0.327 5.031 4.366) 6.669 6.215 ( -11.523 29.705 4.779) 32.218 6.755 ( 2.651 -3.994 0.042) 4.794 6.946 ( 2.284 -20.650 -4.029) 21.163 7.429 ( 2.845 -5.991 -2.310) 7.023 7.816 ( -5.497 6.382 -0.772) 8.458 7.953 ( 5.177 -5.513 8.873) 11.659 8.982 ( -4.257 -2.489 -3.079) 5.813 12.679 ( 2.618 13.993 -4.898) 15.055 14.625 ( 35.464 29.974 19.720) 50.448 16.245 ( -16.211 -4.692 -8.151) 18.741 16.865 ( -17.341 7.801 17.939) 26.141 18.125 ( -2.990 3.040 19.175) 19.644 20.243 ( -0.528 -6.127 -29.349) 29.986 20.991 ( 2.786 -24.402 -23.559) 34.033 22.778 ( 3.950 4.886 -7.361) 9.678 23.408 ( 8.378 12.873 22.902) 27.576 24.345 ( 3.454 -14.197 -1.004) 14.646 24.533 ( 2.710 7.222 0.620) 7.738 26.045 ( -13.425 0.904 -4.509) 14.191 26.410 ( -5.650 -0.606 5.444) 7.869 27.342 ( 1.134 7.499 3.818) 8.491 27.642 ( 0.369 7.780 -0.026) 7.789 27.929 ( 2.522 -9.758 -1.439) 10.181 47.692 ( 2.699 -1.784 -0.591) 3.288 47.969 ( -3.080 2.064 0.700) 3.773 48.971 ( -0.297 4.934 -0.079) 4.944 49.297 ( -9.318 -0.732 0.283) 9.351 49.613 ( 6.520 0.557 -0.551) 6.567 50.795 ( -4.410 3.181 1.113) 5.551 50.845 ( 7.019 -0.632 0.347) 7.056 51.441 ( 0.385 -3.786 -0.657) 3.862 ======================= Grid point 157 (115/186) ======================= q-point: ( 0.33 -0.13 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 9.821 3.097 0.674) 10.320 3.606 ( 12.819 3.719 -8.047) 15.586 4.106 ( -0.210 -15.216 -4.323) 15.820 4.772 ( 2.177 -5.067 -0.169) 5.518 5.841 ( -3.723 -1.021 5.299) 6.556 6.229 ( -19.353 0.101 2.350) 19.496 6.364 ( -8.739 -3.623 -1.604) 9.595 6.598 ( -6.932 -14.058 5.369) 16.568 7.526 ( 12.908 -5.091 -4.859) 14.702 7.914 ( 8.659 -6.169 10.718) 15.097 8.266 ( 7.246 19.642 -4.389) 21.391 8.885 ( -4.873 3.515 -1.504) 6.194 13.176 ( 17.830 15.062 -11.116) 25.852 15.648 ( -9.631 3.962 -22.051) 24.387 16.010 ( 28.181 5.047 4.813) 29.031 16.754 ( -4.693 4.760 28.942) 29.704 18.077 ( 1.786 -9.015 26.398) 27.952 20.233 ( 8.660 2.440 -24.166) 25.787 20.509 ( 8.598 -33.697 -9.477) 36.045 22.922 ( -4.514 9.334 -13.059) 16.675 23.799 ( -1.328 -31.514 5.826) 32.076 23.877 ( 8.394 15.254 6.984) 18.760 25.062 ( 6.161 23.357 -5.452) 24.763 25.759 ( -9.839 -3.104 5.803) 11.837 26.254 ( -8.307 -1.365 4.485) 9.539 27.547 ( 0.577 10.329 0.171) 10.346 27.758 ( 0.836 -6.400 -2.824) 7.046 27.818 ( -1.219 6.391 0.060) 6.506 47.773 ( 4.393 0.999 -2.480) 5.142 47.916 ( 1.747 -3.745 3.427) 5.369 49.060 ( -10.262 1.994 0.379) 10.461 49.190 ( 1.292 10.171 -2.287) 10.504 49.764 ( 4.338 3.191 -1.832) 5.689 50.648 ( -9.005 -4.082 1.164) 9.955 50.963 ( 5.523 -0.470 -0.383) 5.556 51.393 ( 3.525 -4.925 1.198) 6.173 ======================= Grid point 158 (116/186) ======================= q-point: (-0.67 -0.13 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 11.014 -2.639 -5.773) 12.712 3.694 ( 0.083 -22.424 2.247) 22.537 3.909 ( 14.257 0.343 -10.448) 17.679 4.682 ( 4.974 -10.242 1.026) 11.433 5.596 ( -5.031 -10.820 0.676) 11.952 5.829 ( -4.304 -12.095 1.978) 12.990 6.243 ( -12.647 9.731 2.660) 16.178 6.327 ( -9.739 6.501 5.854) 13.092 7.558 ( 10.877 -14.964 -5.063) 19.180 7.913 ( 6.870 -9.684 9.564) 15.246 8.765 ( 5.826 13.737 -4.771) 15.665 8.944 ( -2.617 8.658 0.677) 9.070 13.955 ( 26.381 13.974 -17.550) 34.630 15.112 ( -11.630 -16.728 -33.782) 39.450 16.617 ( 7.840 -18.056 13.355) 23.787 16.835 ( 0.803 18.348 23.601) 29.905 18.038 ( 23.352 -7.794 29.309) 38.276 19.993 ( 13.493 -38.750 1.892) 41.075 20.738 ( 22.156 10.891 -26.127) 35.946 22.951 ( -12.690 10.206 -12.306) 20.412 23.070 ( -7.552 -29.225 11.029) 32.137 24.279 ( 0.915 12.415 -7.488) 14.527 25.413 ( -7.414 7.609 -0.313) 10.629 25.839 ( 16.266 10.429 6.303) 20.324 26.022 ( -10.407 -1.690 5.706) 11.989 27.548 ( -1.723 -10.907 -2.888) 11.414 27.760 ( -1.061 9.773 -2.674) 10.187 27.969 ( -4.287 11.069 -0.119) 11.870 47.776 ( -0.279 -2.939 1.233) 3.199 48.039 ( 9.326 3.007 -0.010) 9.799 48.913 ( -7.351 2.209 0.397) 7.686 49.419 ( 0.871 7.559 -3.576) 8.408 49.906 ( -0.427 4.193 -6.445) 7.700 50.314 ( -9.846 -6.082 5.196) 12.686 51.054 ( 5.707 -1.694 -2.306) 6.384 51.374 ( 4.049 -4.919 3.497) 7.267 ======================= Grid point 159 (117/186) ======================= q-point: (-0.67 -0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 3.671 -18.496 0.719) 18.871 3.502 ( 7.742 -6.434 -4.311) 10.951 4.229 ( 17.757 0.038 -8.030) 19.489 4.565 ( 5.480 -12.331 0.655) 13.510 5.442 ( 4.697 -1.056 2.032) 5.226 5.559 ( -0.170 -8.677 2.277) 8.973 6.261 ( -13.635 15.780 1.550) 20.912 6.390 ( -2.083 11.611 4.066) 12.478 7.447 ( 11.467 -16.157 -4.517) 20.321 7.825 ( 5.825 -11.472 9.659) 16.088 8.906 ( -7.435 3.355 -2.955) 8.676 9.132 ( 3.337 5.669 -0.491) 6.596 14.190 ( -15.820 -6.847 -29.155) 33.870 15.107 ( 31.062 -5.509 -24.344) 39.848 15.995 ( -8.865 -23.064 26.299) 36.085 17.227 ( 2.162 14.141 17.765) 22.809 18.684 ( 42.895 -2.476 17.316) 46.324 19.487 ( 14.250 -39.291 8.525) 42.656 21.169 ( 9.115 -12.347 -37.848) 40.841 22.545 ( 3.926 -6.867 27.784) 28.888 22.879 ( -18.078 13.573 -14.818) 27.030 24.322 ( -11.486 3.003 -3.120) 12.275 25.477 ( -0.719 3.894 -2.612) 4.744 25.750 ( -8.307 1.230 7.120) 11.010 26.498 ( 18.753 13.545 1.029) 23.156 27.244 ( -2.928 -14.056 -3.610) 14.805 27.876 ( -6.865 8.808 -4.245) 11.947 28.040 ( -7.819 7.352 0.726) 10.757 47.713 ( 0.437 -3.188 2.116) 3.851 48.319 ( 7.738 5.652 -0.775) 9.614 48.846 ( -2.773 1.265 -0.699) 3.127 49.499 ( -3.719 1.853 -4.297) 5.977 49.691 ( -10.594 -6.075 -5.462) 13.378 50.295 ( 1.790 7.285 4.627) 8.813 51.123 ( 5.736 -3.171 -3.503) 7.432 51.344 ( 2.332 -4.523 5.360) 7.391 ======================= Grid point 160 (118/186) ======================= q-point: (-0.67 -0.13 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 4.392 -10.781 5.192) 12.747 3.482 ( 3.114 -7.121 -6.498) 10.131 4.391 ( 2.965 -11.402 -1.423) 11.867 4.615 ( 18.750 -1.950 -2.399) 19.003 5.517 ( 2.083 3.318 3.142) 5.022 5.743 ( 16.997 7.129 1.056) 18.462 6.332 ( -10.936 16.658 -2.301) 20.059 6.653 ( 2.139 12.651 2.615) 13.094 7.409 ( 12.339 -12.702 -1.872) 17.807 7.691 ( 5.060 -11.586 9.966) 16.099 8.683 ( -13.824 -3.426 -3.183) 14.594 9.203 ( -1.183 -0.753 -0.989) 1.716 13.633 ( -15.029 -14.488 -28.526) 35.348 14.912 ( -25.542 -2.300 24.835) 35.700 16.119 ( 37.170 -12.245 -15.477) 42.084 17.456 ( 0.218 4.839 17.717) 18.367 18.911 ( 8.123 -35.163 9.383) 37.289 19.566 ( 42.528 -2.180 8.471) 43.418 20.703 ( -6.516 -22.459 -26.153) 35.084 22.690 ( -12.828 12.874 -13.045) 22.371 23.032 ( 18.037 9.136 14.514) 24.888 24.041 ( -14.935 -1.992 7.786) 16.960 25.252 ( -17.941 -0.180 -2.345) 18.095 25.946 ( 8.494 8.459 1.308) 12.059 26.824 ( -1.026 -14.114 -7.571) 16.050 27.153 ( 14.694 8.534 1.934) 17.102 27.807 ( -12.894 3.712 -5.058) 14.339 27.959 ( -9.595 3.213 2.845) 10.511 47.667 ( 0.536 -2.298 1.560) 2.828 48.392 ( 0.850 -9.337 -0.989) 9.428 48.955 ( 2.289 11.222 -1.233) 11.519 49.298 ( -11.167 1.111 -8.025) 13.796 49.565 ( -0.353 -1.535 1.700) 2.317 50.488 ( 1.989 7.397 2.323) 8.004 51.117 ( 0.975 -5.333 -2.171) 5.840 51.316 ( 3.974 -3.378 4.507) 6.894 ======================= Grid point 161 (119/186) ======================= q-point: ( 0.33 -0.13 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -0.171 -3.046 4.915) 5.785 3.348 ( -5.306 -3.074 -3.186) 6.910 4.267 ( 3.942 -6.377 -5.198) 9.123 4.814 ( 6.976 -4.366 -1.273) 8.328 5.737 ( 3.617 8.361 7.113) 11.558 6.300 ( 18.624 8.259 -2.624) 20.541 6.508 ( -2.154 14.778 -3.007) 15.234 6.862 ( -4.868 3.210 0.953) 5.908 7.308 ( 7.522 -12.016 2.911) 14.472 7.712 ( 11.304 -2.377 8.305) 14.227 8.253 ( -17.793 -6.084 -3.515) 19.130 9.091 ( -2.906 -4.633 -2.752) 6.123 13.055 ( -14.739 -10.801 -14.817) 23.525 14.569 ( -26.949 21.889 25.640) 43.160 16.398 ( 18.803 -17.586 -18.508) 31.707 17.350 ( -3.093 -14.063 17.284) 22.496 18.389 ( -0.663 -20.320 17.788) 27.014 20.254 ( 7.051 -5.504 -25.688) 27.201 20.381 ( 28.525 -4.815 -9.236) 30.367 22.709 ( -10.237 14.066 -10.662) 20.404 23.550 ( 0.453 4.548 16.694) 17.308 23.815 ( 11.540 0.475 8.939) 14.605 24.872 ( -20.791 1.737 -3.102) 21.093 26.206 ( 3.844 0.421 -5.017) 6.334 26.511 ( 1.456 -12.482 -0.293) 12.570 27.524 ( -9.777 4.163 0.687) 10.649 27.631 ( 9.427 1.696 -2.468) 9.891 27.810 ( -10.009 1.978 1.850) 10.369 47.649 ( 0.733 -0.518 0.698) 1.137 48.148 ( -1.003 -11.060 -0.729) 11.129 49.088 ( -7.541 2.492 -2.915) 8.460 49.305 ( 0.058 9.874 -5.432) 11.270 49.523 ( 1.193 -2.293 3.992) 4.756 50.672 ( 1.501 7.482 1.278) 7.737 50.969 ( -3.142 -5.856 0.562) 6.670 51.363 ( 5.501 -2.060 1.437) 6.048 ======================= Grid point 167 (120/186) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 1.397 27.978 -0.000) 28.013 2.266 ( 18.304 31.124 -0.000) 36.107 4.237 ( -9.409 59.671 -0.000) 60.409 4.415 ( -0.334 11.130 -0.000) 11.135 4.579 ( -1.699 -2.778 0.000) 3.257 5.587 ( -1.760 4.600 -0.000) 4.925 6.250 ( 4.732 21.241 -0.000) 21.762 7.885 ( 0.109 -16.636 0.000) 16.636 7.916 ( 4.318 -13.122 0.000) 13.814 7.951 ( -3.766 -13.327 0.000) 13.849 8.201 ( -5.358 -8.230 0.000) 9.820 9.123 ( -2.543 -1.820 -0.000) 3.128 12.228 ( 1.782 9.400 -0.000) 9.567 12.903 ( 29.798 40.246 -0.000) 50.076 15.761 ( -16.135 14.758 -0.000) 21.866 16.642 ( -6.403 -0.549 -0.000) 6.426 17.624 ( -0.777 13.733 -0.000) 13.755 21.038 ( 9.124 -11.774 0.000) 14.895 22.149 ( 1.443 -9.408 0.000) 9.518 22.587 ( -1.780 8.955 -0.000) 9.130 22.618 ( 10.426 1.455 0.000) 10.527 23.854 ( -0.405 12.204 -0.000) 12.211 25.383 ( 2.181 -21.860 0.000) 21.969 25.974 ( -18.812 7.630 -0.000) 20.300 26.217 ( -2.199 3.052 -0.000) 3.762 27.016 ( 0.862 5.174 -0.000) 5.245 27.459 ( 2.887 1.555 0.000) 3.279 28.243 ( 0.678 -5.224 0.000) 5.268 47.632 ( -0.316 12.089 -0.000) 12.093 47.848 ( 3.398 -4.785 0.000) 5.869 49.066 ( -3.243 -9.814 0.000) 10.336 49.335 ( -11.633 -1.036 -0.000) 11.679 49.594 ( 4.665 0.561 0.000) 4.699 50.622 ( -0.243 3.413 -0.000) 3.421 50.827 ( 6.665 1.910 0.000) 6.933 51.507 ( 0.047 1.988 -0.000) 1.989 ======================= Grid point 168 (121/186) ======================= q-point: ( 0.14 -0.14 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 8.589 19.064 -0.000) 20.909 3.217 ( 21.703 19.238 0.000) 29.002 4.520 ( 0.167 -0.435 0.000) 0.466 4.679 ( 3.858 9.512 -0.000) 10.265 5.119 ( -8.327 39.334 -0.000) 40.206 5.574 ( -7.881 5.453 -0.000) 9.583 6.776 ( 3.129 9.515 -0.000) 10.016 7.354 ( -8.490 -21.362 0.000) 22.987 7.620 ( -5.566 -0.887 -0.000) 5.636 7.791 ( 7.240 -9.508 0.000) 11.951 8.104 ( 8.574 -7.321 0.000) 11.275 8.980 ( -5.137 -3.128 -0.000) 6.014 12.613 ( 13.093 15.037 -0.000) 19.939 14.301 ( 16.558 45.619 -0.000) 48.531 16.095 ( 25.400 8.814 0.000) 26.886 16.377 ( -14.552 -4.383 -0.000) 15.198 17.944 ( 11.239 6.237 0.000) 12.854 20.828 ( 2.174 -18.404 0.000) 18.532 21.911 ( 5.512 -21.224 0.000) 21.928 22.706 ( -4.605 8.227 -0.000) 9.429 22.971 ( 4.629 18.368 -0.000) 18.943 24.238 ( 6.366 18.525 -0.000) 19.588 24.971 ( 3.284 -25.820 0.000) 26.028 25.730 ( -12.110 2.048 -0.000) 12.282 26.158 ( -8.570 2.346 -0.000) 8.886 27.171 ( 1.653 7.531 -0.000) 7.710 27.533 ( -0.742 3.709 -0.000) 3.782 28.127 ( -0.353 -6.463 0.000) 6.473 47.878 ( 4.013 6.330 -0.000) 7.495 47.907 ( 10.828 -4.618 0.000) 11.771 48.884 ( -2.042 -0.843 -0.000) 2.209 49.031 ( -14.995 -0.178 -0.000) 14.996 49.664 ( -0.567 2.567 -0.000) 2.629 50.668 ( -2.018 1.748 -0.000) 2.670 50.952 ( 3.271 1.141 0.000) 3.464 51.550 ( 3.253 -1.307 0.000) 3.506 ======================= Grid point 169 (122/186) ======================= q-point: ( 0.14 -0.14 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 11.403 11.887 -0.000) 16.472 3.851 ( 14.843 6.836 0.000) 16.342 4.519 ( 5.919 -8.653 0.000) 10.484 4.870 ( 3.770 0.670 0.000) 3.829 5.377 ( -20.644 19.363 -0.000) 28.304 5.529 ( -9.696 7.923 -0.000) 12.522 6.463 ( -17.617 -12.163 -0.000) 21.407 6.748 ( -8.717 -20.739 0.000) 22.496 7.930 ( 13.118 1.367 0.000) 13.189 7.946 ( 9.633 11.151 -0.000) 14.735 8.214 ( 11.331 2.422 0.000) 11.587 8.807 ( -4.885 -3.541 -0.000) 6.033 13.376 ( 25.881 20.479 0.000) 33.003 15.309 ( -1.780 40.726 -0.000) 40.765 15.925 ( -15.075 -8.734 -0.000) 17.422 16.987 ( 46.741 -0.641 0.000) 46.746 18.188 ( 13.583 -10.668 0.000) 17.272 20.632 ( 8.027 -2.640 0.000) 8.450 21.535 ( 10.628 -31.719 0.000) 33.452 22.704 ( -11.742 7.774 -0.000) 14.082 23.491 ( -1.166 27.109 -0.000) 27.134 24.398 ( -2.974 -33.026 0.000) 33.160 24.754 ( 2.065 21.405 -0.000) 21.505 25.663 ( 8.915 -2.798 0.000) 9.344 25.987 ( -11.451 0.966 -0.000) 11.491 27.370 ( 1.038 8.844 -0.000) 8.905 27.597 ( -2.589 6.324 -0.000) 6.834 27.976 ( -1.177 -6.928 0.000) 7.027 47.972 ( 4.359 -5.125 0.000) 6.729 48.061 ( 12.868 -4.723 0.000) 13.707 48.785 ( -11.378 3.337 -0.000) 11.857 49.001 ( 1.230 11.876 -0.000) 11.939 49.698 ( -3.247 5.546 -0.000) 6.426 50.544 ( -8.170 -4.479 -0.000) 9.317 51.055 ( 4.360 1.927 0.000) 4.767 51.571 ( 3.894 -4.099 0.000) 5.653 ======================= Grid point 170 (123/186) ======================= q-point: ( 0.14 -0.14 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 11.122 6.109 0.000) 12.689 4.030 ( 2.015 -12.652 0.000) 12.812 4.385 ( 9.701 -9.736 0.000) 13.744 4.867 ( 1.109 -4.796 0.000) 4.922 5.389 ( -16.517 21.944 -0.000) 27.465 5.466 ( -10.644 4.092 -0.000) 11.403 5.969 ( -11.863 -0.706 -0.000) 11.884 6.187 ( -8.807 -16.913 0.000) 19.069 8.118 ( 9.570 -7.248 0.000) 12.005 8.150 ( 11.190 -8.858 0.000) 14.272 8.686 ( 8.778 15.655 -0.000) 17.949 8.708 ( -3.896 4.265 -0.000) 5.777 14.251 ( 15.902 11.255 0.000) 19.482 15.639 ( 9.641 -1.967 0.000) 9.840 15.916 ( -9.249 29.603 -0.000) 31.014 17.245 ( 3.654 -33.649 0.000) 33.847 18.505 ( 42.180 -0.610 0.000) 42.184 21.069 ( 12.977 -38.386 0.000) 40.521 21.183 ( 27.619 17.333 0.000) 32.607 22.560 ( -18.217 8.387 -0.000) 20.055 23.498 ( -13.109 -39.485 0.000) 41.604 23.890 ( -11.902 22.966 -0.000) 25.867 25.137 ( 0.838 15.757 -0.000) 15.779 25.728 ( -13.719 -1.768 -0.000) 13.832 26.029 ( 25.217 2.711 0.000) 25.362 27.526 ( -1.923 5.891 -0.000) 6.197 27.683 ( -3.639 7.915 -0.000) 8.711 27.806 ( -2.318 -5.969 0.000) 6.403 47.911 ( 4.028 -7.926 0.000) 8.891 48.210 ( 9.228 -2.342 0.000) 9.520 48.734 ( -2.883 5.457 -0.000) 6.171 49.274 ( 0.176 10.495 -0.000) 10.496 49.806 ( -1.478 11.131 -0.000) 11.229 50.172 ( -13.190 -10.296 -0.000) 16.733 51.196 ( 6.138 1.250 0.000) 6.264 51.531 ( 1.959 -5.876 0.000) 6.194 ======================= Grid point 171 (124/186) ======================= q-point: ( 0.14 0.86 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -1.225 -20.747 0.000) 20.783 3.776 ( 8.231 -1.503 0.000) 8.367 4.595 ( 13.780 2.774 0.000) 14.056 4.748 ( -3.348 -5.249 0.000) 6.226 5.362 ( -3.745 6.862 -0.000) 7.817 5.522 ( -9.957 15.153 -0.000) 18.132 5.741 ( -11.198 -5.716 -0.000) 12.572 6.013 ( 0.517 12.369 -0.000) 12.380 8.072 ( 9.449 -15.527 0.000) 18.176 8.110 ( 7.948 -11.234 0.000) 13.761 8.723 ( -5.975 3.219 -0.000) 6.787 9.064 ( 2.743 9.587 -0.000) 9.971 14.219 ( -10.376 -7.952 -0.000) 13.073 15.754 ( -23.375 -24.896 0.000) 34.150 16.409 ( 44.084 9.893 0.000) 45.181 16.727 ( -5.954 5.170 -0.000) 7.885 19.474 ( 48.023 1.489 0.000) 48.046 20.492 ( 8.769 -41.417 0.000) 42.335 22.216 ( 35.390 18.044 0.000) 39.724 22.249 ( -20.232 -18.195 -0.000) 27.210 22.433 ( -20.117 -12.150 -0.000) 23.501 23.913 ( -17.993 10.558 -0.000) 20.862 25.362 ( -16.734 -3.813 -0.000) 17.163 25.502 ( 6.972 12.829 -0.000) 14.601 26.644 ( 21.659 8.470 0.000) 23.256 27.448 ( -3.272 -8.081 0.000) 8.718 27.695 ( -7.036 3.862 -0.000) 8.027 27.735 ( -5.142 5.343 -0.000) 7.415 47.842 ( 4.469 -7.251 0.000) 8.517 48.374 ( 6.317 3.703 0.000) 7.323 48.830 ( 3.138 2.234 0.000) 3.852 49.395 ( -4.029 6.645 -0.000) 7.771 49.639 ( -15.888 -12.175 -0.000) 20.017 50.070 ( 1.901 12.668 -0.000) 12.810 51.341 ( 7.132 -0.434 0.000) 7.145 51.410 ( -1.266 -6.758 0.000) 6.875 ======================= Grid point 173 (125/186) ======================= q-point: ( 0.14 -0.14 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -0.814 -15.354 0.000) 15.376 3.757 ( 1.278 -11.575 0.000) 11.645 4.539 ( -5.703 -3.786 -0.000) 6.846 4.986 ( 16.527 1.646 0.000) 16.609 5.395 ( -6.910 -1.389 -0.000) 7.048 5.684 ( 5.863 19.774 -0.000) 20.625 5.738 ( -11.191 21.761 -0.000) 24.469 6.373 ( 7.465 13.604 -0.000) 15.518 7.972 ( 4.821 -15.255 0.000) 15.999 7.980 ( 9.263 -12.407 0.000) 15.484 8.543 ( -10.113 -4.445 -0.000) 11.046 9.186 ( -2.369 3.052 -0.000) 3.864 13.812 ( -13.075 -7.253 -0.000) 14.952 14.500 ( -26.894 -39.073 0.000) 47.434 16.859 ( -9.736 16.377 -0.000) 19.053 17.357 ( 38.442 -5.213 0.000) 38.794 19.698 ( -4.251 -43.130 0.000) 43.339 20.432 ( 43.656 1.169 0.000) 43.671 21.284 ( -10.277 -27.671 0.000) 29.517 22.140 ( -22.570 12.971 -0.000) 26.032 23.208 ( 30.697 8.869 0.000) 31.952 23.682 ( -12.706 2.973 -0.000) 13.049 24.927 ( -18.237 -3.555 -0.000) 18.580 25.902 ( 7.032 11.741 -0.000) 13.685 27.144 ( 7.435 9.205 -0.000) 11.833 27.159 ( -3.330 -12.754 0.000) 13.182 27.610 ( -10.937 5.508 -0.000) 12.246 27.704 ( -0.860 -0.018 -0.000) 0.860 47.798 ( 5.011 -6.739 0.000) 8.398 48.571 ( 4.842 -0.172 0.000) 4.845 48.916 ( 4.724 -0.737 0.000) 4.781 49.128 ( -16.001 -2.517 -0.000) 16.198 49.429 ( -5.125 6.630 -0.000) 8.379 50.336 ( 2.449 8.945 -0.000) 9.275 51.214 ( -4.263 -6.914 0.000) 8.123 51.458 ( 6.946 -2.152 0.000) 7.271 ======================= Grid point 174 (126/186) ======================= q-point: ( 0.14 -0.14 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -6.555 -10.439 0.000) 12.326 3.342 ( -12.956 -15.895 0.000) 20.506 4.438 ( -0.406 -0.539 0.000) 0.674 4.994 ( -3.904 -8.014 0.000) 8.915 5.514 ( 0.773 10.153 -0.000) 10.182 6.085 ( -12.080 14.462 -0.000) 18.844 6.087 ( 2.172 21.706 -0.000) 21.815 6.848 ( 16.602 11.063 0.000) 19.950 7.758 ( 8.321 -15.020 0.000) 17.171 7.870 ( -4.540 -6.844 0.000) 8.213 8.244 ( 0.167 -10.087 0.000) 10.088 9.147 ( -3.078 0.003 -0.000) 3.078 13.294 ( -22.860 -27.758 0.000) 35.960 13.414 ( -19.825 0.911 -0.000) 19.846 16.911 ( -10.108 8.253 -0.000) 13.049 17.531 ( 11.203 -30.584 0.000) 32.571 18.689 ( -12.048 -33.586 0.000) 35.682 20.847 ( 4.527 -13.233 0.000) 13.986 21.246 ( 34.611 0.514 0.000) 34.615 22.067 ( -17.013 21.332 -0.000) 27.285 23.207 ( -13.126 -5.035 -0.000) 14.058 24.160 ( 30.672 6.121 0.000) 31.277 24.511 ( -17.151 -2.032 -0.000) 17.271 26.208 ( 1.999 8.278 -0.000) 8.515 26.823 ( -3.658 -13.514 0.000) 14.000 27.221 ( -8.650 3.096 -0.000) 9.188 27.501 ( -9.913 5.333 -0.000) 11.257 27.833 ( 10.336 1.824 0.000) 10.495 47.769 ( 5.113 -6.234 0.000) 8.063 48.347 ( -6.414 -14.011 0.000) 15.409 48.979 ( -2.494 1.033 -0.000) 2.700 49.123 ( 2.332 12.830 -0.000) 13.040 49.464 ( -3.510 5.133 -0.000) 6.219 50.529 ( 1.626 6.340 -0.000) 6.545 50.978 ( -5.772 -5.855 0.000) 8.222 51.528 ( 5.163 -3.167 0.000) 6.057 ======================= Grid point 175 (127/186) ======================= q-point: ( 0.14 -0.14 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -16.898 -5.591 -0.000) 17.799 2.718 ( -24.294 -5.548 -0.000) 24.920 4.465 ( 1.257 1.759 -0.000) 2.162 4.704 ( -10.563 -5.172 -0.000) 11.761 5.561 ( -42.046 -8.340 -0.000) 42.865 5.634 ( -4.940 6.503 -0.000) 8.167 6.461 ( -4.205 8.484 -0.000) 9.468 7.436 ( 19.733 7.453 0.000) 21.093 7.650 ( -3.001 2.881 -0.000) 4.161 7.791 ( 16.291 -8.938 0.000) 18.581 8.180 ( 9.759 -9.497 0.000) 13.617 9.111 ( -0.258 0.328 -0.000) 0.418 12.532 ( -14.632 -10.333 -0.000) 17.913 13.086 ( -30.777 18.478 -0.000) 35.898 16.699 ( -13.683 -39.419 0.000) 41.726 16.800 ( -6.365 -1.815 -0.000) 6.619 18.013 ( -9.506 -14.888 0.000) 17.664 20.798 ( 7.697 -4.227 0.000) 8.781 21.825 ( 22.168 -0.037 0.000) 22.168 22.311 ( -5.866 23.165 -0.000) 23.896 22.853 ( -11.529 -4.245 -0.000) 12.286 24.155 ( -14.800 -1.577 -0.000) 14.884 24.837 ( 27.395 2.868 0.000) 27.545 26.292 ( -3.600 2.397 -0.000) 4.325 26.452 ( -5.262 -15.167 0.000) 16.054 27.102 ( -6.292 1.523 -0.000) 6.474 27.446 ( -5.422 4.714 -0.000) 7.185 28.075 ( 8.260 2.389 0.000) 8.599 47.764 ( 4.864 -3.708 0.000) 6.116 47.945 ( -10.848 -7.415 -0.000) 13.140 48.981 ( 4.431 -2.545 0.000) 5.110 49.418 ( 0.925 11.752 -0.000) 11.789 49.466 ( -0.620 -1.821 0.000) 1.923 50.664 ( -0.755 5.138 -0.000) 5.194 50.781 ( -4.662 -1.314 -0.000) 4.844 51.538 ( 1.832 -2.642 0.000) 3.215 ======================= Grid point 191 (128/186) ======================= q-point: (-0.25 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -9.364 -20.181 -23.028) 32.019 1.672 ( 6.776 -28.637 -21.776) 36.608 2.704 ( 0.629 -20.070 -38.299) 43.244 4.292 ( 0.027 -2.880 -10.316) 10.710 4.381 ( 0.302 1.035 10.846) 10.900 5.266 ( 0.807 -4.695 8.100) 9.397 5.371 ( -1.031 -14.363 7.348) 16.167 7.631 ( -0.788 3.968 17.897) 18.349 7.648 ( 1.153 2.587 17.831) 18.055 8.151 ( 0.003 0.644 13.565) 13.580 8.866 ( -1.163 2.903 -8.939) 9.471 9.028 ( 0.717 -10.667 -3.605) 11.283 12.217 ( 0.235 -1.529 -33.812) 33.848 12.418 ( -0.825 -20.618 -34.039) 39.804 16.835 ( 0.298 5.779 -4.257) 7.184 17.225 ( 0.604 -3.527 -7.883) 8.658 18.976 ( 5.582 18.073 20.083) 27.589 19.215 ( -7.280 -5.866 59.355) 60.086 20.432 ( 1.004 20.028 14.679) 24.851 23.140 ( 0.641 13.958 -18.975) 23.564 23.205 ( 0.825 0.276 10.329) 10.365 23.736 ( -4.301 -2.613 -31.645) 32.043 24.513 ( 2.818 -41.915 -14.248) 44.360 26.172 ( -0.180 8.289 -6.076) 10.279 26.281 ( 0.128 -2.305 -5.526) 5.989 27.123 ( 0.118 -0.318 15.100) 15.104 28.442 ( -0.042 2.668 -3.362) 4.292 29.011 ( 0.111 30.763 -8.779) 31.992 47.883 ( 1.356 14.620 -10.936) 18.308 48.082 ( -2.376 3.369 -2.737) 4.949 49.384 ( 0.164 1.066 -0.617) 1.242 49.504 ( -2.160 3.116 -0.262) 3.801 49.606 ( 7.184 2.508 -2.713) 8.079 50.040 ( -4.043 -23.952 7.477) 25.416 50.633 ( -0.043 -1.243 -4.701) 4.863 51.277 ( -0.023 -3.004 3.380) 4.522 ======================= Grid point 196 (129/186) ======================= q-point: (-0.25 -0.15 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 5.640 12.445 -3.429) 14.087 4.094 ( -7.207 6.868 0.571) 9.972 4.345 ( 13.924 9.023 0.247) 16.594 5.005 ( 4.559 -12.528 3.429) 13.766 5.186 ( -10.106 -6.083 -0.834) 11.825 5.442 ( -5.731 -3.073 0.391) 6.515 5.555 ( 2.407 -12.070 -5.031) 13.297 6.217 ( -7.121 -11.575 4.245) 14.238 8.208 ( 3.141 9.730 0.849) 10.260 8.375 ( 8.580 7.813 -3.050) 11.998 8.597 ( -7.689 3.204 -2.478) 8.690 8.862 ( 2.539 -5.017 4.030) 6.918 14.452 ( -1.593 37.119 -7.549) 37.913 14.852 ( 22.944 22.996 -13.161) 35.050 16.465 ( 14.075 -20.569 -13.316) 28.258 17.255 ( -28.330 -20.588 31.361) 47.010 20.371 ( 14.944 13.821 9.651) 22.527 20.899 ( 1.567 31.577 -15.561) 35.238 21.583 ( 12.260 29.403 0.448) 31.860 21.876 ( -5.975 -0.678 6.094) 8.561 23.288 ( 0.426 -17.688 -8.019) 19.425 23.543 ( -10.553 -17.324 7.543) 21.642 24.920 ( -0.394 6.599 -6.795) 9.480 25.653 ( -2.377 -13.438 3.428) 14.071 27.017 ( 3.465 13.747 8.316) 16.436 27.302 ( 4.858 -1.916 -5.788) 7.796 27.444 ( 2.640 -3.155 -4.426) 6.043 27.713 ( -7.016 -4.112 1.940) 8.360 48.054 ( -2.500 6.891 1.287) 7.443 48.463 ( 3.419 -7.633 2.833) 8.831 48.801 ( 2.659 10.352 2.886) 11.071 49.141 ( -3.695 -1.569 -2.759) 4.871 49.418 ( 4.679 0.577 -7.631) 8.970 50.155 ( -4.303 -10.813 3.190) 12.066 51.288 ( 3.596 6.385 -1.138) 7.416 51.576 ( -2.095 -0.492 1.013) 2.378 ======================= Grid point 197 (130/186) ======================= q-point: ( 0.75 -0.15 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( -7.236 8.367 2.289) 11.296 4.038 ( 2.038 0.265 -2.809) 3.480 4.611 ( -6.513 -0.198 2.374) 6.935 4.753 ( 5.653 0.886 0.875) 5.788 5.087 ( 2.878 -6.937 -3.163) 8.149 5.213 ( 6.987 -7.206 -1.611) 10.166 5.669 ( -3.917 6.658 2.943) 8.266 5.932 ( 6.801 -7.895 -2.582) 10.736 8.364 ( -5.548 6.979 0.410) 8.925 8.529 ( -0.837 0.233 1.754) 1.957 8.599 ( -0.651 4.142 -2.876) 5.084 8.786 ( 2.012 -6.644 2.356) 7.331 14.895 ( -21.041 28.401 -15.826) 38.727 15.719 ( 6.605 -1.226 6.507) 9.353 16.240 ( -6.280 -18.118 -0.111) 19.176 16.441 ( 16.496 -3.344 12.819) 21.157 20.590 ( -25.310 9.183 -6.633) 27.730 21.225 ( 21.064 -5.536 -3.248) 22.021 22.013 ( -25.513 28.673 1.076) 38.395 22.255 ( -21.556 19.491 7.066) 29.908 22.968 ( 15.208 -16.577 -6.070) 23.301 23.042 ( 20.847 -18.887 3.568) 28.355 25.132 ( -1.727 4.811 2.920) 5.887 25.371 ( 5.662 -8.908 -1.894) 10.724 27.162 ( -13.829 4.508 -6.245) 15.829 27.391 ( -0.195 2.815 3.547) 4.533 27.462 ( 6.323 2.733 2.919) 7.481 27.546 ( 5.032 -8.898 -0.612) 10.241 48.140 ( -4.567 5.872 -1.163) 7.529 48.341 ( 3.029 -4.768 0.651) 5.686 48.938 ( -7.146 1.870 -1.141) 7.474 49.110 ( 5.121 -1.310 1.388) 5.465 49.600 ( -2.092 7.539 2.566) 8.234 49.884 ( 6.357 -10.202 -2.030) 12.191 51.420 ( -3.874 3.207 1.069) 5.141 51.522 ( 1.872 -0.977 -1.179) 2.418 ======================= Grid point 198 (131/186) ======================= q-point: (-0.25 -0.15 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -10.665 -6.893 -0.677) 12.717 4.051 ( -7.560 -1.303 6.694) 10.182 4.656 ( -4.216 14.297 2.639) 15.137 4.709 ( 9.121 -21.662 -3.320) 23.738 5.201 ( -0.205 13.047 -5.778) 14.270 5.370 ( 12.844 -2.248 -4.610) 13.830 5.615 ( 6.267 0.211 3.525) 7.193 6.244 ( 14.327 8.472 3.509) 17.010 8.197 ( -10.878 -5.735 2.709) 12.592 8.420 ( -6.780 -10.761 -0.699) 12.738 8.620 ( -2.456 8.298 3.221) 9.234 8.784 ( 2.670 1.331 -7.187) 7.781 14.419 ( -35.846 -14.893 4.993) 39.137 15.282 ( -9.282 -7.152 -4.013) 12.386 16.081 ( 8.992 -11.653 -22.145) 26.590 17.297 ( 20.785 24.964 24.127) 40.464 19.997 ( -32.004 -3.160 -20.903) 38.356 21.286 ( -22.580 -13.722 0.322) 26.424 21.625 ( -21.509 -9.089 12.929) 26.691 21.818 ( 1.104 2.443 10.108) 10.457 23.291 ( 20.191 1.319 -9.909) 22.530 23.593 ( 19.435 9.077 11.555) 24.365 24.966 ( -4.730 -0.592 -3.139) 5.707 25.598 ( 11.022 3.171 -0.698) 11.491 26.861 ( -18.837 2.063 -10.209) 21.525 27.374 ( 2.001 -9.027 4.273) 10.186 27.426 ( 1.519 -1.660 -2.680) 3.500 27.758 ( 6.664 6.273 3.017) 9.637 48.070 ( -6.579 1.449 3.963) 7.816 48.438 ( 7.188 -1.145 -1.643) 7.462 48.806 ( -9.994 6.135 -5.143) 12.805 49.043 ( -3.266 -8.390 1.033) 9.062 49.521 ( 2.343 -4.810 -0.167) 5.353 50.139 ( 11.342 6.552 0.618) 13.113 51.293 ( -5.685 -2.962 -1.328) 6.546 51.583 ( 0.708 1.433 2.091) 2.632 ======================= Grid point 202 (132/186) ======================= q-point: (-0.44 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.673 -14.646 -5.674) 15.721 2.864 ( -0.310 -14.275 -19.665) 24.302 3.860 ( -7.069 -11.324 10.417) 16.932 4.198 ( 4.353 -15.302 1.257) 15.958 5.294 ( 1.416 -24.198 -11.889) 26.998 5.505 ( 1.549 -12.568 2.585) 12.924 6.193 ( -3.170 -23.656 -3.652) 24.145 7.021 ( 2.163 9.201 11.607) 14.969 7.243 ( -1.678 3.078 8.463) 9.161 7.875 ( 2.521 -1.664 14.523) 14.833 8.749 ( -0.121 12.849 -8.875) 15.617 9.207 ( -1.574 3.700 0.176) 4.024 12.890 ( 3.235 2.594 -29.183) 29.476 14.381 ( -9.308 -35.591 -34.214) 50.239 16.311 ( 13.276 15.758 12.270) 23.981 17.418 ( -1.984 0.293 4.774) 5.178 18.420 ( -9.847 -13.411 37.935) 41.423 19.219 ( 2.406 -28.625 25.165) 38.189 19.754 ( 2.270 13.934 -29.134) 32.374 22.996 ( 4.200 6.209 -7.529) 10.624 23.127 ( -1.735 -8.172 7.498) 11.225 24.217 ( -3.743 4.283 -12.194) 13.456 25.590 ( 8.584 0.405 -0.757) 8.627 25.828 ( -7.282 5.484 -8.595) 12.529 26.376 ( -3.362 -0.561 6.207) 7.081 27.147 ( 4.184 -12.017 0.444) 12.732 28.134 ( -1.643 18.707 -5.697) 19.624 28.274 ( 0.763 11.298 -2.233) 11.542 47.773 ( 5.302 3.008 -2.680) 6.659 47.947 ( -8.676 3.179 -2.744) 9.639 49.312 ( -4.382 1.839 0.352) 4.765 49.375 ( 1.665 6.878 -7.096) 10.022 49.607 ( 11.966 -0.151 -0.944) 12.004 50.556 ( -4.368 -10.114 4.323) 11.835 50.813 ( -1.584 -2.563 -4.231) 5.194 51.297 ( 0.293 -2.339 6.164) 6.599 ======================= Grid point 203 (133/186) ======================= q-point: (-0.44 -0.16 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 10.016 -19.253 -15.602) 26.729 2.702 ( 11.464 -15.355 -14.773) 24.196 3.518 ( 4.866 -15.099 -1.644) 15.949 4.112 ( 3.957 -4.747 9.113) 11.010 4.951 ( 4.612 -14.583 -15.278) 21.618 5.320 ( 3.146 -9.787 6.450) 12.135 5.813 ( 12.334 -20.836 -5.570) 24.846 7.130 ( -7.393 7.616 12.895) 16.702 7.281 ( -0.908 3.309 11.477) 11.979 7.856 ( 0.631 -2.468 15.835) 16.039 8.959 ( 2.287 5.628 -6.903) 9.196 9.201 ( -1.370 -1.160 -1.024) 2.067 13.160 ( 20.704 0.837 -34.955) 40.635 13.576 ( -6.570 -26.913 -37.798) 46.863 16.678 ( -2.818 6.244 5.281) 8.650 17.451 ( 4.742 -2.681 5.626) 7.831 18.130 ( 9.485 -7.405 50.500) 51.914 18.740 ( 7.603 -27.223 36.225) 45.947 20.149 ( -1.132 15.612 -34.284) 37.688 22.873 ( 0.879 -6.110 24.396) 25.165 23.273 ( -8.582 14.241 -25.687) 30.599 24.227 ( 1.365 1.977 -19.711) 19.857 25.410 ( 4.163 -16.510 -2.746) 17.246 26.113 ( 2.404 12.351 -6.494) 14.159 26.297 ( -3.028 1.099 5.548) 6.415 26.977 ( 1.331 -10.190 4.569) 11.247 28.353 ( -4.043 9.674 -1.827) 10.643 28.524 ( -9.495 18.110 -6.340) 21.408 47.802 ( -6.116 3.056 -5.410) 8.718 48.096 ( 7.649 7.532 -2.495) 11.021 49.188 ( -9.497 2.758 1.162) 9.958 49.488 ( 0.476 2.151 -3.387) 4.041 49.788 ( -1.426 -2.417 -6.583) 7.156 50.253 ( 4.305 -8.802 6.673) 11.855 50.792 ( 2.678 -2.102 -4.988) 6.040 51.272 ( 2.504 -3.001 6.005) 7.165 ======================= Grid point 204 (134/186) ======================= q-point: (-0.44 -0.16 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 18.706 -6.668 -6.747) 20.973 2.678 ( 17.219 -14.133 -17.169) 28.125 3.578 ( 21.065 -5.659 -5.956) 22.610 4.071 ( 0.940 -3.631 10.879) 11.508 4.936 ( 12.934 -4.310 -18.511) 22.990 5.291 ( 9.107 -3.793 6.589) 11.863 5.854 ( 23.055 -12.151 -3.488) 26.293 7.098 ( -9.143 6.843 12.844) 17.187 7.310 ( -2.168 1.616 9.736) 10.104 7.831 ( 0.432 -0.370 16.914) 16.923 8.979 ( -6.202 -1.728 -6.784) 9.352 9.201 ( 3.159 0.699 -0.433) 3.264 13.059 ( -4.042 -13.379 -35.849) 38.477 13.736 ( 35.218 -1.546 -35.338) 49.914 16.499 ( -18.166 3.946 12.795) 22.568 17.468 ( 4.416 -5.313 -2.782) 7.448 18.426 ( 13.868 -13.801 42.602) 46.880 18.565 ( 27.551 -3.385 45.623) 53.403 20.123 ( -17.500 1.409 -34.868) 39.039 22.875 ( 5.396 -0.598 22.606) 23.249 23.235 ( -15.234 8.020 -24.529) 29.968 24.318 ( 0.928 -0.330 -14.781) 14.814 25.343 ( 13.057 -4.770 -6.228) 15.232 26.085 ( -9.949 0.096 -0.064) 9.950 26.426 ( 3.060 -0.444 -7.786) 8.377 26.888 ( 5.310 -0.300 10.463) 11.737 28.380 ( -6.488 3.157 -2.019) 7.493 28.507 ( -20.472 10.276 -6.621) 23.844 47.761 ( -5.129 4.313 -4.593) 8.125 48.207 ( -1.726 -6.739 -2.955) 7.558 49.205 ( -2.704 13.920 -2.118) 14.338 49.492 ( -1.073 -0.553 -0.080) 1.209 49.544 ( -7.323 -3.876 -5.684) 10.048 50.388 ( 12.250 -2.167 4.981) 13.401 50.806 ( 3.511 -3.043 -4.708) 6.615 51.272 ( 2.801 -2.424 6.019) 7.067 ======================= Grid point 209 (135/186) ======================= q-point: ( 0.56 -0.16 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -11.352 9.502 4.449) 15.458 4.026 ( -3.089 13.249 -7.804) 15.684 4.266 ( -20.357 -5.327 4.547) 21.528 4.875 ( 5.934 7.043 -4.098) 10.080 5.326 ( -1.057 -4.528 5.819) 7.449 5.481 ( 12.674 3.476 5.322) 14.179 5.727 ( 12.226 -18.993 -3.250) 22.821 6.426 ( 8.904 -12.793 -8.412) 17.712 8.029 ( -10.047 12.977 -3.719) 16.827 8.213 ( -9.027 8.053 3.511) 12.596 8.734 ( 1.868 -4.100 -0.198) 4.510 8.836 ( 3.987 -0.958 4.879) 6.374 14.038 ( -20.161 31.062 -0.446) 37.034 14.766 ( -36.279 -3.164 24.048) 43.640 16.232 ( 17.420 8.152 9.471) 21.439 17.727 ( 16.249 -16.530 -26.553) 35.246 19.886 ( -7.663 28.182 14.030) 32.400 20.823 ( -31.212 11.328 -1.859) 33.257 21.252 ( -22.618 17.813 -14.085) 32.051 21.947 ( 9.128 -4.235 -7.259) 12.408 23.419 ( 8.375 -10.937 18.466) 23.038 23.718 ( 3.744 -6.867 -19.135) 20.671 25.011 ( 3.666 -6.902 10.304) 12.933 25.714 ( 8.494 -4.114 -2.627) 9.797 26.852 ( -5.044 13.208 2.644) 14.384 27.212 ( -3.188 1.802 1.204) 3.855 27.428 ( 0.627 -0.773 4.291) 4.405 27.869 ( 4.598 -7.233 -2.097) 8.824 48.068 ( -2.367 2.647 -6.709) 7.591 48.389 ( -3.098 0.892 -0.821) 3.327 48.810 ( -6.187 -2.086 0.540) 6.552 49.061 ( 10.977 10.278 7.440) 16.777 49.423 ( -4.155 -4.519 5.224) 8.061 50.282 ( 6.943 -7.742 -3.427) 10.949 51.200 ( -5.894 4.688 2.246) 7.859 51.603 ( 0.228 -0.283 -3.128) 3.149 ======================= Grid point 213 (136/186) ======================= q-point: ( 0.37 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 4.612 1.434 3.112) 5.745 3.393 ( 7.228 5.241 -5.832) 10.664 4.154 ( -4.380 -9.671 -5.125) 11.789 4.758 ( -1.000 -5.748 -0.982) 5.916 5.851 ( 2.685 -3.298 6.985) 8.178 6.390 ( 0.859 -23.214 -2.924) 23.413 6.657 ( -11.491 7.212 1.219) 13.621 6.694 ( -5.796 -2.446 3.597) 7.246 7.294 ( 8.552 -6.557 -3.034) 11.195 7.758 ( 6.118 -7.111 10.763) 14.277 8.186 ( 0.184 20.090 -4.343) 20.555 8.988 ( -5.250 3.224 -2.387) 6.607 12.966 ( 2.773 14.296 -11.448) 18.524 15.171 ( 35.496 24.406 17.886) 46.643 16.059 ( -15.613 -14.263 -20.361) 29.357 17.005 ( -17.314 5.535 18.833) 26.174 18.125 ( -7.028 -3.314 24.127) 25.347 20.164 ( -1.312 -0.592 -27.454) 27.492 20.388 ( 3.530 -35.075 -9.126) 36.414 22.913 ( 5.494 8.828 -13.998) 17.437 23.685 ( 8.758 6.610 15.849) 19.276 23.817 ( -0.180 -20.000 7.601) 21.397 24.939 ( 4.978 22.157 -3.824) 23.029 26.035 ( -14.722 -1.517 -4.368) 15.431 26.371 ( -3.835 -3.317 4.883) 7.039 27.541 ( -0.194 12.196 0.139) 12.198 27.708 ( 3.896 -10.950 -2.032) 11.799 27.833 ( 0.102 9.821 0.665) 9.844 47.680 ( 3.575 0.700 -0.235) 3.651 47.971 ( -6.221 -1.052 0.452) 6.325 49.131 ( 1.736 9.862 -3.646) 10.657 49.288 ( -8.523 -0.071 0.461) 8.536 49.622 ( 9.078 0.310 -0.674) 9.108 50.781 ( -0.664 -3.904 0.853) 4.051 50.873 ( 0.033 2.547 0.326) 2.568 51.348 ( 0.733 -5.206 1.440) 5.451 ======================= Grid point 214 (137/186) ======================= q-point: (-0.63 -0.17 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 11.146 -2.591 -2.225) 11.657 3.601 ( 10.731 -8.846 -15.730) 20.996 3.775 ( -3.488 -12.307 4.654) 13.612 4.591 ( 3.606 -12.589 0.199) 13.097 5.676 ( -2.475 -13.292 3.447) 13.953 5.874 ( -0.534 -22.233 2.003) 22.330 6.453 ( -9.425 -0.222 -0.782) 9.460 6.567 ( -12.425 9.403 5.959) 16.682 7.347 ( 10.134 -11.296 -5.626) 16.185 7.777 ( 6.727 -7.109 12.352) 15.760 8.643 ( 5.189 16.636 -4.749) 18.062 9.016 ( -3.917 8.155 -0.463) 9.059 13.463 ( 19.043 13.112 -17.780) 29.166 15.416 ( -14.287 -20.479 -34.881) 42.897 16.218 ( 27.376 8.971 10.002) 30.495 16.870 ( -5.276 7.336 28.123) 29.540 17.835 ( -0.877 -14.412 32.135) 35.230 19.759 ( 9.583 -39.216 1.659) 40.404 20.383 ( 12.432 11.268 -28.343) 32.937 23.079 ( -1.187 -9.128 1.473) 9.322 23.236 ( -7.336 -7.664 -7.273) 12.863 24.174 ( 7.782 13.457 0.298) 15.548 25.518 ( 8.312 21.155 -3.243) 22.960 25.687 ( -12.263 -3.520 4.870) 13.657 26.200 ( -6.317 -3.885 4.732) 8.797 27.536 ( 2.773 -12.474 -2.992) 13.125 27.793 ( -2.316 14.040 -0.822) 14.253 28.038 ( -2.325 12.287 -0.560) 12.517 47.812 ( -1.918 1.541 -1.000) 2.656 47.869 ( 5.581 0.975 0.608) 5.698 49.091 ( -9.754 1.361 1.119) 9.912 49.390 ( 1.837 8.637 -4.572) 9.944 49.832 ( 7.437 3.578 -2.569) 8.644 50.525 ( -10.113 -8.002 2.361) 13.110 50.950 ( 4.353 -0.918 -2.369) 5.040 51.292 ( 3.603 -4.810 3.955) 7.194 ======================= Grid point 215 (138/186) ======================= q-point: (-0.63 -0.17 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 5.160 -17.998 -5.353) 19.473 3.331 ( 8.499 -10.154 -1.077) 13.285 3.898 ( 14.412 -1.780 -8.568) 16.860 4.426 ( 7.613 -14.963 0.832) 16.809 5.388 ( 1.041 -9.254 1.365) 9.412 5.524 ( 3.297 -15.037 4.087) 15.927 6.396 ( -0.290 3.839 -3.144) 4.971 6.537 ( -11.758 11.369 6.421) 17.571 7.259 ( 7.026 -12.496 -4.505) 15.027 7.720 ( 4.620 -9.255 13.001) 16.614 8.983 ( 1.651 7.808 -4.519) 9.171 9.098 ( -2.212 5.928 0.735) 6.370 14.208 ( 25.470 10.865 -25.173) 37.423 14.704 ( -7.154 -23.153 -38.305) 45.327 16.247 ( -10.854 -16.426 29.157) 35.182 17.136 ( 5.794 10.255 18.437) 21.878 17.910 ( 31.560 -4.571 26.329) 41.354 19.209 ( 13.046 -38.229 7.294) 41.047 20.913 ( 14.471 4.984 -36.891) 39.940 22.550 ( -3.129 -18.176 26.702) 32.453 23.224 ( -15.119 14.075 -19.302) 28.271 24.462 ( -1.465 5.553 -8.980) 10.659 25.472 ( -2.710 0.915 5.481) 6.182 25.959 ( -9.280 -2.189 4.255) 10.441 26.151 ( 14.699 15.809 1.160) 21.617 27.285 ( -0.794 -14.592 -3.261) 14.973 27.994 ( -5.240 12.644 -1.324) 13.751 28.193 ( -6.898 10.970 -1.807) 13.084 47.733 ( -2.631 -0.873 0.518) 2.820 48.150 ( 8.843 7.259 -1.113) 11.495 48.950 ( -7.253 1.769 0.067) 7.466 49.524 ( -0.005 2.893 -3.073) 4.220 49.909 ( -8.348 -4.469 -8.693) 12.854 50.254 ( 1.122 0.785 6.963) 7.096 51.011 ( 5.119 -2.381 -3.788) 6.799 51.281 ( 3.795 -4.307 5.594) 8.016 ======================= Grid point 216 (139/186) ======================= q-point: (-0.63 -0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 6.545 -12.921 3.988) 15.023 3.378 ( 7.465 -5.877 -8.974) 13.069 4.210 ( 20.159 -1.848 -5.965) 21.104 4.278 ( 8.088 -15.636 1.297) 17.652 5.423 ( 9.968 -2.895 1.305) 10.462 5.442 ( 9.618 -1.283 3.719) 10.392 6.541 ( -2.560 8.439 -0.237) 8.822 6.564 ( 0.169 7.114 -2.511) 7.546 7.201 ( 6.962 -6.602 -0.864) 9.634 7.611 ( 3.329 -9.157 13.948) 17.014 8.934 ( -10.615 -0.326 -3.607) 11.216 9.202 ( 1.276 1.605 0.299) 2.072 13.939 ( -14.852 -16.831 -37.146) 43.401 15.114 ( 27.096 5.998 -23.005) 36.047 15.609 ( -10.094 -13.956 31.666) 36.047 17.403 ( 5.765 2.802 20.563) 21.539 18.601 ( 32.026 -12.376 8.950) 35.481 18.782 ( 23.119 -22.914 16.479) 36.484 20.843 ( -6.172 -16.688 -34.900) 39.174 22.547 ( 14.257 4.047 24.036) 28.238 23.156 ( -17.920 13.520 -19.272) 29.586 24.325 ( -12.487 -1.881 2.908) 12.958 25.524 ( -5.748 1.133 -4.639) 7.473 25.816 ( 1.009 5.238 7.241) 8.993 26.735 ( 12.773 6.114 -5.660) 15.251 26.956 ( 1.381 -10.993 0.864) 11.113 28.060 ( -10.929 9.012 -2.866) 14.452 28.164 ( -11.327 4.646 -0.555) 12.255 47.680 ( -1.888 -0.029 0.643) 1.995 48.363 ( 2.412 -3.247 -1.263) 4.237 48.939 ( -1.295 9.977 -1.246) 10.137 49.499 ( -6.365 -1.177 -5.343) 8.393 49.595 ( -4.934 -3.954 -1.934) 6.612 50.426 ( 4.435 5.528 3.157) 7.758 51.052 ( 4.613 -3.889 -3.899) 7.183 51.258 ( 2.414 -3.970 6.212) 7.757 ======================= Grid point 217 (140/186) ======================= q-point: (-0.63 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 5.006 -2.481 4.875) 7.415 3.383 ( 1.608 -1.973 -8.924) 9.279 4.147 ( 8.132 -12.292 -0.915) 14.767 4.567 ( 16.806 -2.146 -1.432) 17.003 5.609 ( 8.756 4.866 6.240) 11.802 5.845 ( 23.193 2.882 -0.871) 23.387 6.611 ( -5.731 8.996 -0.057) 10.667 6.811 ( 9.177 3.068 -7.431) 12.200 7.198 ( 3.934 -8.160 2.827) 9.489 7.554 ( 4.249 -0.337 13.608) 14.260 8.611 ( -16.886 -3.149 -4.410) 17.734 9.162 ( -3.597 -2.979 -0.301) 4.680 13.349 ( -14.166 -11.480 -24.616) 30.634 15.103 ( -26.062 19.052 25.435) 41.100 15.870 ( 32.600 -11.133 -22.666) 41.236 17.385 ( -0.079 -11.437 17.540) 20.939 18.319 ( 7.844 -22.754 18.756) 30.513 19.552 ( 42.462 0.926 4.927) 42.757 20.360 ( -7.722 -11.324 -28.420) 31.552 22.916 ( -2.175 8.964 -8.480) 12.530 23.205 ( 10.916 7.695 3.039) 13.697 24.001 ( -14.949 -0.985 12.462) 19.487 25.272 ( -17.988 2.352 -2.220) 18.277 26.084 ( 7.819 4.075 -2.177) 9.082 26.499 ( -0.467 -16.246 -1.691) 16.341 27.326 ( 14.919 7.548 -1.002) 16.750 27.854 ( -16.935 0.699 -2.943) 17.203 28.019 ( -10.469 2.660 1.368) 10.888 47.657 ( -1.567 1.348 0.551) 2.139 48.166 ( -1.327 -11.606 -1.315) 11.756 49.214 ( -2.962 11.527 -3.009) 12.276 49.345 ( -5.464 3.506 -6.305) 9.050 49.501 ( 0.849 -3.293 2.910) 4.475 50.619 ( 3.877 5.393 1.827) 6.889 51.002 ( 0.099 -5.998 -1.511) 6.186 51.259 ( 4.451 -2.004 4.149) 6.407 ======================= Grid point 224 (141/186) ======================= q-point: ( 0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 2.301 18.786 -0.000) 18.927 2.822 ( 14.787 23.774 -0.000) 27.998 4.499 ( 1.517 -4.022 0.000) 4.298 4.644 ( -0.602 10.511 -0.000) 10.528 5.343 ( -12.341 48.344 -0.000) 49.894 5.683 ( -2.009 4.782 -0.000) 5.187 6.631 ( 8.795 14.230 -0.000) 16.728 7.488 ( -3.458 -22.390 0.000) 22.656 7.691 ( 1.130 -12.201 0.000) 12.253 7.719 ( 0.363 -4.043 0.000) 4.059 8.020 ( -3.300 -9.650 0.000) 10.199 9.073 ( -3.693 -2.985 -0.000) 4.749 12.453 ( 2.334 13.034 -0.000) 13.242 13.696 ( 37.291 37.552 -0.000) 52.922 16.067 ( -19.586 14.667 -0.000) 24.469 16.655 ( -11.686 1.763 -0.000) 11.818 17.843 ( -1.674 7.482 -0.000) 7.667 20.781 ( 1.696 -12.913 0.000) 13.024 21.840 ( 1.852 -21.582 0.000) 21.662 22.733 ( 17.687 9.750 0.000) 20.196 22.778 ( -3.222 10.020 -0.000) 10.525 24.152 ( 1.751 17.368 -0.000) 17.456 24.899 ( 3.416 -26.113 0.000) 26.335 26.085 ( -20.063 3.325 -0.000) 20.336 26.282 ( -3.449 3.116 -0.000) 4.648 27.136 ( 1.750 6.846 -0.000) 7.066 27.520 ( 2.220 4.547 -0.000) 5.060 28.115 ( 1.442 -7.451 0.000) 7.590 47.759 ( 3.531 -3.850 0.000) 5.224 47.853 ( -1.641 8.820 -0.000) 8.971 48.929 ( -2.463 -2.812 0.000) 3.738 49.313 ( -12.031 -1.089 -0.000) 12.080 49.607 ( 6.335 0.673 0.000) 6.371 50.698 ( -0.993 4.091 -0.000) 4.210 50.852 ( 6.306 0.451 0.000) 6.322 51.512 ( 0.263 -1.523 0.000) 1.546 ======================= Grid point 225 (142/186) ======================= q-point: ( 0.18 -0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 9.120 10.940 -0.000) 14.243 3.520 ( 17.171 11.139 0.000) 20.468 4.427 ( 2.969 -8.320 0.000) 8.834 4.806 ( 2.195 2.503 -0.000) 3.329 5.698 ( -6.513 6.278 -0.000) 9.046 5.800 ( -20.686 26.766 -0.000) 33.828 6.734 ( -7.926 -10.318 0.000) 13.011 6.896 ( -5.999 -23.942 0.000) 24.682 7.675 ( 11.832 -2.265 0.000) 12.046 7.795 ( 4.102 9.927 -0.000) 10.741 7.994 ( 9.931 1.361 0.000) 10.023 8.912 ( -5.339 -2.858 -0.000) 6.056 12.941 ( 16.245 17.403 -0.000) 23.807 15.146 ( 24.425 37.719 -0.000) 44.936 16.235 ( 18.122 4.237 0.000) 18.610 16.304 ( -20.969 -3.049 -0.000) 21.190 17.965 ( 7.788 -4.279 0.000) 8.886 20.541 ( 1.651 -9.013 0.000) 9.163 21.364 ( 6.255 -32.786 0.000) 33.378 22.887 ( -6.622 9.829 -0.000) 11.852 23.359 ( 13.487 19.819 -0.000) 23.973 24.398 ( 2.159 -30.913 0.000) 30.988 24.653 ( 6.652 22.222 -0.000) 23.196 25.742 ( -14.380 -0.860 -0.000) 14.406 26.199 ( -8.974 1.509 -0.000) 9.100 27.338 ( 1.959 9.098 -0.000) 9.307 27.639 ( -1.347 6.859 -0.000) 6.990 27.979 ( 0.809 -8.220 0.000) 8.259 47.832 ( 9.314 -2.539 0.000) 9.654 47.921 ( 0.480 -1.379 0.000) 1.461 48.982 ( 0.634 9.692 -0.000) 9.713 49.037 ( -13.175 0.663 -0.000) 13.191 49.719 ( 1.647 2.929 -0.000) 3.360 50.684 ( -5.808 -0.463 -0.000) 5.826 50.963 ( 5.121 0.119 0.000) 5.122 51.491 ( 3.502 -4.407 0.000) 5.629 ======================= Grid point 226 (143/186) ======================= q-point: ( 0.18 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 12.220 5.885 0.000) 13.563 3.920 ( 9.188 -0.818 0.000) 9.225 4.223 ( 5.515 -17.467 0.000) 18.317 4.822 ( 2.783 -5.103 0.000) 5.813 5.659 ( -7.932 2.495 -0.000) 8.315 5.763 ( -20.222 17.157 -0.000) 26.520 6.250 ( -14.848 -6.471 -0.000) 16.196 6.333 ( -5.705 -19.340 0.000) 20.164 7.911 ( 12.603 -5.467 0.000) 13.738 7.917 ( 9.996 -8.072 0.000) 12.848 8.490 ( 10.006 18.092 -0.000) 20.675 8.798 ( -4.980 3.707 -0.000) 6.208 13.778 ( 27.013 19.258 0.000) 33.175 15.765 ( -18.465 -7.429 -0.000) 19.903 16.025 ( -1.825 29.271 -0.000) 29.328 16.847 ( 35.785 -13.615 0.000) 38.288 17.919 ( 14.295 -13.346 0.000) 19.557 20.727 ( 17.295 10.885 0.000) 20.435 20.812 ( 11.697 -39.369 0.000) 41.070 22.887 ( -13.618 10.288 -0.000) 17.067 23.682 ( -5.517 -37.391 0.000) 37.796 23.984 ( 3.682 21.654 -0.000) 21.964 25.181 ( -3.254 19.187 -0.000) 19.461 25.617 ( 11.963 -0.491 0.000) 11.973 25.995 ( -12.349 -0.299 -0.000) 12.352 27.549 ( -0.313 8.619 -0.000) 8.624 27.756 ( -3.391 9.440 -0.000) 10.030 27.821 ( 0.459 -8.211 0.000) 8.224 47.856 ( 1.302 -5.659 0.000) 5.807 48.004 ( 10.440 -0.638 0.000) 10.460 48.853 ( -8.417 3.209 -0.000) 9.008 49.255 ( 1.555 12.091 -0.000) 12.190 49.826 ( 0.067 7.162 -0.000) 7.162 50.424 ( -11.626 -7.440 -0.000) 13.803 51.079 ( 5.568 0.569 0.000) 5.597 51.466 ( 4.205 -6.122 0.000) 7.428 ======================= Grid point 227 (144/186) ======================= q-point: (-0.82 -0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 10.268 0.504 0.000) 10.280 3.628 ( -0.663 -23.292 0.000) 23.301 4.322 ( 13.545 0.123 0.000) 13.545 4.750 ( 2.578 -7.107 0.000) 7.560 5.461 ( -5.653 -3.253 -0.000) 6.522 5.703 ( -7.589 0.159 -0.000) 7.591 5.971 ( -11.594 4.719 -0.000) 12.518 6.083 ( -7.052 10.890 -0.000) 12.974 7.883 ( 9.168 -15.988 0.000) 18.430 7.924 ( 10.170 -11.581 0.000) 15.412 8.835 ( -5.156 6.588 -0.000) 8.366 8.966 ( 6.549 11.404 -0.000) 13.150 14.422 ( -4.164 7.179 -0.000) 8.300 15.632 ( 26.469 -0.264 0.000) 26.471 16.127 ( -12.440 -22.280 0.000) 25.518 16.788 ( -0.177 3.245 -0.000) 3.250 18.504 ( 46.607 0.016 0.000) 46.607 20.251 ( 13.597 -41.995 0.000) 44.141 21.553 ( 30.008 18.706 0.000) 35.361 22.630 ( -15.868 -29.920 0.000) 33.868 22.821 ( -18.582 1.675 -0.000) 18.657 24.235 ( -12.817 11.000 -0.000) 16.890 25.375 ( 4.677 8.271 -0.000) 9.502 25.691 ( -15.504 -2.011 -0.000) 15.634 26.186 ( 22.535 12.726 0.000) 25.881 27.518 ( -3.499 -7.995 0.000) 8.727 27.780 ( -1.744 4.749 -0.000) 5.059 27.856 ( -6.262 9.008 -0.000) 10.971 47.775 ( 2.118 -5.535 0.000) 5.927 48.222 ( 8.574 3.395 0.000) 9.222 48.818 ( -2.034 2.787 -0.000) 3.450 49.447 ( -1.360 6.695 -0.000) 6.832 49.955 ( -15.239 -10.892 -0.000) 18.731 50.037 ( 1.718 11.229 -0.000) 11.359 51.202 ( 6.522 -0.623 0.000) 6.551 51.402 ( 2.046 -6.643 0.000) 6.951 ======================= Grid point 229 (145/186) ======================= q-point: ( 0.18 0.82 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 2.021 -17.782 0.000) 17.896 3.692 ( 4.841 -6.215 0.000) 7.878 4.614 ( -0.779 -8.297 0.000) 8.334 4.648 ( 16.539 1.483 0.000) 16.605 5.502 ( -3.391 -4.879 0.000) 5.942 5.533 ( 7.860 9.778 -0.000) 12.546 6.000 ( -13.605 19.460 -0.000) 23.744 6.300 ( 0.143 15.681 -0.000) 15.682 7.761 ( 11.276 -14.817 0.000) 18.620 7.843 ( 7.964 -15.148 0.000) 17.114 8.753 ( -10.114 -0.297 -0.000) 10.118 9.195 ( 1.486 3.379 -0.000) 3.691 14.150 ( -20.383 1.962 -0.000) 20.478 15.008 ( -22.973 -40.823 0.000) 46.843 16.489 ( 46.180 -2.040 0.000) 46.225 17.007 ( -4.408 14.629 -0.000) 15.279 19.490 ( 49.002 0.297 0.000) 49.003 19.637 ( 8.663 -42.417 0.000) 43.293 21.561 ( -16.013 -33.707 0.000) 37.317 22.538 ( 32.979 13.771 0.000) 35.739 22.618 ( -23.878 14.960 -0.000) 28.178 24.005 ( -16.878 -0.737 -0.000) 16.895 25.302 ( -18.417 -2.131 -0.000) 18.540 25.730 ( 9.766 10.293 -0.000) 14.188 26.871 ( 17.797 13.079 0.000) 22.086 27.221 ( -3.107 -13.686 0.000) 14.034 27.798 ( -7.547 5.631 -0.000) 9.416 27.827 ( -9.519 3.639 -0.000) 10.191 47.720 ( 2.725 -4.842 0.000) 5.556 48.463 ( 5.938 3.203 0.000) 6.747 48.846 ( 1.855 0.712 0.000) 1.987 49.449 ( -15.601 -5.998 -0.000) 16.714 49.506 ( -2.644 3.963 -0.000) 4.764 50.293 ( 2.107 9.524 -0.000) 9.754 51.274 ( -1.551 -6.571 0.000) 6.752 51.313 ( 7.219 -2.155 0.000) 7.534 ======================= Grid point 231 (146/186) ======================= q-point: ( 0.18 -0.18 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.282 -10.288 0.000) 10.292 3.520 ( -4.912 -10.629 0.000) 11.709 4.450 ( -0.242 -5.114 0.000) 5.120 4.930 ( 10.485 -5.412 0.000) 11.800 5.482 ( 0.603 7.939 -0.000) 7.962 6.066 ( 12.835 16.995 -0.000) 21.297 6.176 ( -8.788 20.829 -0.000) 22.607 6.647 ( 3.152 13.386 -0.000) 13.752 7.627 ( 5.441 -18.607 0.000) 19.386 7.755 ( 11.926 -9.572 0.000) 15.292 8.425 ( -14.186 -6.837 -0.000) 15.747 9.192 ( -1.577 -2.163 0.000) 2.677 13.771 ( -23.992 -31.651 0.000) 39.717 13.836 ( -22.281 10.330 -0.000) 24.559 17.098 ( 30.479 -18.830 0.000) 35.826 17.099 ( -7.816 6.007 -0.000) 9.857 18.857 ( -3.537 -38.447 0.000) 38.609 20.446 ( 44.290 0.327 0.000) 44.291 20.828 ( -3.387 -17.578 0.000) 17.901 22.482 ( -23.074 19.888 -0.000) 30.462 23.307 ( 15.322 1.062 0.000) 15.359 23.705 ( 1.914 0.463 0.000) 1.969 24.887 ( -19.620 -0.560 -0.000) 19.628 26.112 ( 7.198 9.125 -0.000) 11.622 26.868 ( -1.663 -16.126 0.000) 16.211 27.350 ( 1.290 10.320 -0.000) 10.400 27.682 ( -0.454 -1.895 0.000) 1.948 27.713 ( -10.467 4.636 -0.000) 11.448 47.687 ( 2.986 -4.094 0.000) 5.067 48.406 ( -0.505 -12.730 0.000) 12.740 49.015 ( 1.653 7.619 -0.000) 7.796 49.173 ( -9.022 6.423 -0.000) 11.075 49.514 ( -1.643 1.046 -0.000) 1.948 50.499 ( 1.460 7.699 -0.000) 7.836 51.082 ( -4.383 -6.133 0.000) 7.539 51.404 ( 6.892 -3.025 0.000) 7.527 ======================= Grid point 232 (147/186) ======================= q-point: ( 0.18 -0.18 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -7.667 -3.728 -0.000) 8.525 3.133 ( -16.552 -3.526 -0.000) 16.923 4.418 ( 3.021 -1.292 0.000) 3.286 4.859 ( -3.771 -5.129 0.000) 6.366 5.693 ( -0.314 6.906 -0.000) 6.913 6.270 ( -25.755 2.831 -0.000) 25.910 6.486 ( -0.488 17.145 -0.000) 17.152 7.013 ( 20.475 4.105 0.000) 20.882 7.492 ( 13.059 -8.907 0.000) 15.807 7.787 ( -2.411 -1.106 -0.000) 2.653 8.021 ( -0.686 -11.389 0.000) 11.410 9.107 ( 0.205 -3.586 0.000) 3.591 12.870 ( -18.689 -13.744 -0.000) 23.199 13.684 ( -28.433 25.735 -0.000) 38.350 16.857 ( -0.497 -33.082 0.000) 33.086 16.942 ( -7.277 -5.486 -0.000) 9.113 18.152 ( -4.699 -19.240 0.000) 19.805 20.645 ( 6.808 -7.064 0.000) 9.811 21.253 ( 34.398 0.497 0.000) 34.402 22.534 ( -15.624 23.842 -0.000) 28.505 23.092 ( -11.923 -5.602 -0.000) 13.174 24.260 ( 29.391 4.160 0.000) 29.684 24.499 ( -19.057 0.765 -0.000) 19.072 26.326 ( 0.632 3.208 -0.000) 3.270 26.506 ( -0.804 -17.876 0.000) 17.894 27.270 ( -10.626 1.731 -0.000) 10.766 27.595 ( -8.907 3.722 -0.000) 9.653 27.883 ( 10.730 3.059 0.000) 11.157 47.683 ( 3.118 -1.994 0.000) 3.701 48.105 ( -4.729 -9.739 0.000) 10.826 48.977 ( -4.174 -0.287 -0.000) 4.184 49.400 ( 0.880 13.135 -0.000) 13.164 49.467 ( 0.286 -4.836 0.000) 4.844 50.673 ( 0.008 7.942 -0.000) 7.942 50.876 ( -4.637 -4.377 -0.000) 6.377 51.468 ( 4.945 -2.342 0.000) 5.471 ======================= Grid point 248 (148/186) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 0.000 -27.308) 27.308 1.284 ( 0.000 0.000 -27.308) 27.308 2.524 ( 0.000 0.000 -48.116) 48.116 4.260 ( 0.000 0.000 -12.071) 12.071 4.406 ( -0.000 -0.000 13.175) 13.175 5.216 ( -0.000 -0.000 9.329) 9.329 5.216 ( -0.000 -0.000 9.329) 9.329 7.671 ( -0.000 -0.000 18.060) 18.060 7.671 ( -0.000 -0.000 18.060) 18.060 8.157 ( -0.000 -0.000 14.351) 14.351 8.893 ( 0.000 0.000 -8.202) 8.202 8.893 ( 0.000 0.000 -8.202) 8.202 12.204 ( 0.000 0.000 -35.592) 35.592 12.204 ( 0.000 0.000 -35.592) 35.592 16.894 ( 0.000 0.000 -6.201) 6.201 17.186 ( 0.000 0.000 -8.045) 8.045 19.147 ( -0.000 -0.000 65.646) 65.646 19.147 ( -0.000 -0.000 65.646) 65.646 20.782 ( -0.000 -0.000 0.568) 0.568 23.173 ( -0.000 -0.000 16.662) 16.662 23.620 ( 0.000 0.000 -29.777) 29.777 23.706 ( 0.000 0.000 -32.666) 32.666 23.706 ( 0.000 0.000 -32.666) 32.666 26.258 ( 0.000 0.000 -5.711) 5.711 26.258 ( 0.000 0.000 -5.711) 5.711 27.120 ( -0.000 -0.000 16.166) 16.166 28.468 ( 0.000 0.000 -4.005) 4.005 29.384 ( -0.000 -0.000 6.488) 6.488 48.117 ( 0.000 0.000 -3.001) 3.001 48.117 ( 0.000 0.000 -3.001) 3.001 49.397 ( 0.000 0.000 -1.412) 1.412 49.589 ( -0.000 -0.000 1.220) 1.220 49.641 ( 0.000 0.000 -2.731) 2.731 49.641 ( 0.000 0.000 -2.731) 2.731 50.620 ( 0.000 0.000 -4.759) 4.759 51.244 ( -0.000 -0.000 2.847) 2.847 ======================= Grid point 253 (149/186) ======================= q-point: (-0.20 -0.20 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( 8.633 10.154 -1.380) 13.399 4.095 ( -3.973 -4.473 2.770) 6.593 4.582 ( 0.967 10.977 -0.499) 11.031 4.755 ( 1.885 -8.942 1.271) 9.226 5.111 ( -7.097 -2.529 -0.885) 7.586 5.191 ( -3.454 -9.813 -3.762) 11.063 5.630 ( 5.471 7.973 -0.813) 9.704 5.987 ( -10.340 -10.392 2.688) 14.904 8.375 ( 5.744 5.904 1.492) 8.371 8.497 ( 1.231 2.997 -1.269) 3.479 8.640 ( -0.719 2.100 0.623) 2.306 8.752 ( 0.246 -4.962 -0.579) 5.002 15.123 ( 27.607 18.688 2.099) 33.403 15.301 ( -4.803 23.267 -24.399) 34.055 16.081 ( 11.627 -10.157 -3.459) 15.822 16.781 ( -29.196 -25.087 28.275) 47.762 20.606 ( 26.226 7.688 -6.688) 28.136 21.172 ( -18.272 0.545 -4.392) 18.800 22.125 ( 23.756 24.695 -4.787) 34.599 22.182 ( 19.238 19.185 13.846) 30.494 22.887 ( -14.873 -17.464 -6.250) 23.775 23.145 ( -23.201 -20.541 6.303) 31.622 25.072 ( 5.602 8.075 -2.949) 10.261 25.408 ( -7.253 -9.997 1.713) 12.469 27.215 ( 15.562 0.830 -3.760) 16.031 27.330 ( -3.205 9.011 -0.533) 9.579 27.404 ( -0.655 -0.630 -0.692) 1.142 27.600 ( -7.924 -6.914 3.483) 11.078 48.172 ( 2.570 3.941 1.994) 5.110 48.328 ( -3.052 -4.764 -0.569) 5.686 48.953 ( 5.175 3.221 0.301) 6.103 49.079 ( -0.911 -1.558 -1.555) 2.382 49.548 ( 4.915 9.831 -2.397) 11.250 49.925 ( -8.769 -11.105 1.914) 14.278 51.400 ( 4.545 4.330 -0.872) 6.337 51.544 ( -2.843 -2.348 1.033) 3.829 ======================= Grid point 259 (150/186) ======================= q-point: (-0.39 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -4.733 -20.636 -14.006) 25.386 2.539 ( 2.716 -19.790 -15.898) 25.530 3.497 ( -2.039 -19.663 -3.529) 20.081 4.054 ( 1.492 -0.930 10.779) 10.922 4.904 ( 0.431 -13.827 -18.314) 22.952 5.268 ( 1.532 -10.947 6.619) 12.884 5.701 ( -1.776 -24.251 -4.218) 24.679 7.192 ( 1.724 7.547 13.283) 15.374 7.305 ( -1.653 2.776 10.655) 11.134 7.840 ( 0.879 -1.809 17.632) 17.746 8.942 ( -0.952 6.445 -7.513) 9.944 9.212 ( 0.199 -3.181 -0.670) 3.257 12.933 ( 1.874 1.676 -35.477) 35.566 13.681 ( -3.883 -32.040 -36.375) 48.630 16.619 ( 6.549 14.708 7.574) 17.792 17.403 ( -0.453 -1.955 1.492) 2.501 18.153 ( -9.620 -12.381 45.277) 47.915 18.611 ( 4.966 -29.341 44.899) 53.866 20.152 ( 0.909 23.977 -33.617) 41.302 22.867 ( -0.157 -6.719 23.144) 24.100 23.343 ( 1.704 16.902 -26.616) 31.575 24.262 ( -4.025 0.406 -16.711) 17.194 25.327 ( 2.888 -20.352 -6.728) 21.629 26.080 ( 0.165 13.150 -6.039) 14.471 26.377 ( -3.671 0.339 2.975) 4.737 26.929 ( 3.014 -9.184 7.174) 12.037 28.402 ( -0.770 8.154 -2.775) 8.648 28.623 ( 0.397 22.117 -4.515) 22.577 47.866 ( 4.043 6.896 -6.653) 10.400 48.042 ( -6.425 5.430 -2.577) 8.799 49.347 ( -4.574 1.973 0.719) 5.033 49.486 ( -0.394 3.226 -4.110) 5.240 49.617 ( 13.819 1.702 -2.441) 14.136 50.300 ( -5.899 -15.312 4.775) 17.090 50.768 ( -0.408 -1.862 -5.165) 5.506 51.245 ( -0.023 -2.703 5.750) 6.354 ======================= Grid point 260 (151/186) ======================= q-point: (-0.39 -0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 15.680 -9.998 -15.786) 24.393 2.308 ( 17.747 -21.653 -15.777) 32.137 3.289 ( 7.652 -6.669 -12.003) 15.720 4.073 ( -0.650 -0.181 13.851) 13.868 4.769 ( 3.873 -3.639 -21.775) 22.414 5.143 ( 5.081 -7.269 9.763) 13.189 5.435 ( 17.299 -15.366 -3.797) 23.447 7.254 ( -6.031 4.625 13.225) 15.253 7.340 ( -0.631 2.016 11.661) 11.851 7.817 ( 0.803 -1.310 19.381) 19.442 9.030 ( 0.681 1.587 -6.144) 6.382 9.136 ( 2.226 -3.998 -2.844) 5.387 13.122 ( -0.818 -15.202 -37.661) 40.622 13.169 ( 18.483 -1.437 -37.690) 42.003 16.803 ( -10.771 5.967 4.440) 13.089 17.384 ( 3.282 -3.183 -2.583) 5.251 18.044 ( 15.857 -1.175 56.980) 59.157 18.249 ( 9.705 -20.460 45.775) 51.070 20.473 ( -15.097 14.487 -26.656) 33.887 22.802 ( 1.933 -1.695 23.955) 24.092 23.559 ( -15.327 13.271 -29.173) 35.526 24.262 ( 3.474 1.464 -19.361) 19.724 25.041 ( 15.210 -18.166 -11.543) 26.355 26.263 ( -6.907 2.702 -0.286) 7.422 26.359 ( 2.667 4.251 -6.903) 8.535 26.820 ( 2.263 -4.902 14.077) 15.077 28.484 ( -3.707 4.047 -3.954) 6.764 28.880 ( -14.920 14.791 -0.525) 21.015 47.910 ( -9.328 7.295 -6.413) 13.467 48.198 ( 2.941 1.272 -2.878) 4.307 49.290 ( -5.537 7.957 -0.817) 9.728 49.500 ( -0.776 -0.785 -0.257) 1.133 49.702 ( -6.484 -5.356 -5.047) 9.808 50.089 ( 15.897 -7.448 4.375) 18.092 50.755 ( 1.642 -1.450 -5.460) 5.883 51.218 ( 2.164 -2.100 5.140) 5.959 ======================= Grid point 270 (152/186) ======================= q-point: (-0.58 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 6.217 -4.024 1.891) 7.643 3.422 ( 5.843 -2.901 -12.622) 14.208 3.918 ( -9.856 -12.941 1.268) 16.316 4.548 ( 0.527 -14.739 -0.589) 14.760 5.683 ( 1.930 -12.294 6.974) 14.265 5.873 ( 0.432 -25.786 -0.603) 25.796 6.619 ( -6.099 -4.364 -0.852) 7.548 6.784 ( -7.604 2.882 -0.590) 8.153 7.164 ( 6.323 -5.235 -2.611) 8.614 7.640 ( 6.667 -4.873 14.291) 16.505 8.581 ( 0.657 17.984 -5.069) 18.696 9.094 ( -3.683 6.280 -0.414) 7.292 13.245 ( 2.349 13.081 -19.567) 23.654 15.548 ( 14.130 -2.785 13.464) 19.715 15.729 ( 5.394 -2.310 -25.156) 25.832 17.085 ( -15.191 2.565 20.598) 25.722 17.977 ( -12.041 -11.472 28.570) 33.059 19.611 ( 5.095 -40.836 2.706) 41.241 20.251 ( 0.565 9.295 -29.567) 30.999 23.046 ( 4.114 -7.496 -1.163) 8.629 23.305 ( 1.079 -5.609 -7.886) 9.737 24.034 ( 4.748 14.766 10.795) 18.897 25.355 ( 6.125 18.118 -1.319) 19.171 25.996 ( -13.985 -2.079 -6.040) 15.375 26.285 ( -3.848 -4.654 6.147) 8.617 27.453 ( 5.235 -13.386 -2.355) 14.565 27.839 ( -1.849 16.554 -1.076) 16.692 28.055 ( 0.641 11.884 0.040) 11.901 47.721 ( 4.977 3.378 -0.275) 6.021 47.958 ( -8.554 0.336 -0.871) 8.605 49.279 ( -7.563 1.348 -0.339) 7.690 49.348 ( 1.974 8.815 -4.554) 10.116 49.624 ( 12.153 -0.121 -0.601) 12.169 50.669 ( -2.284 -7.192 1.793) 7.756 50.908 ( -1.581 0.669 -1.976) 2.618 51.245 ( 0.851 -4.631 4.088) 6.235 ======================= Grid point 271 (153/186) ======================= q-point: (-0.58 -0.22 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 10.423 -9.930 -7.388) 16.181 3.220 ( 1.735 -21.104 -4.830) 21.719 3.684 ( 5.857 -2.749 -2.534) 6.949 4.285 ( 5.927 -16.927 0.559) 17.943 5.384 ( -0.389 -15.081 1.239) 15.137 5.449 ( 3.503 -18.515 5.504) 19.630 6.389 ( 0.244 -7.912 -10.678) 13.292 6.751 ( -8.896 8.393 7.788) 14.500 7.157 ( 3.502 -5.693 -1.725) 6.902 7.633 ( 4.254 -7.111 15.514) 17.588 8.917 ( 3.042 10.422 -4.273) 11.667 9.163 ( -2.837 5.492 -0.155) 6.183 13.693 ( 19.639 9.448 -24.759) 32.984 14.914 ( -8.163 -28.152 -36.703) 46.971 16.320 ( 5.436 2.097 18.436) 19.334 17.046 ( 2.288 9.122 18.172) 20.462 17.526 ( 3.982 -15.311 36.884) 40.134 18.971 ( 10.429 -38.080 7.394) 40.169 20.648 ( 10.690 13.809 -33.850) 38.089 22.621 ( -3.131 -20.741 21.681) 30.167 23.464 ( -8.158 15.536 -21.937) 28.092 24.399 ( 5.906 8.590 -5.514) 11.792 25.592 ( -6.094 -4.976 5.622) 9.670 25.925 ( 4.357 17.918 -4.813) 19.058 26.112 ( -4.723 -4.263 7.426) 9.779 27.264 ( 2.943 -14.418 -2.757) 14.971 28.099 ( -5.130 15.670 -0.404) 16.493 28.299 ( -3.170 13.472 -1.838) 13.961 47.824 ( -6.388 1.345 -1.291) 6.655 47.973 ( 8.341 7.606 -1.287) 11.361 49.120 ( -9.179 1.743 0.992) 9.396 49.517 ( 0.551 3.754 -4.036) 5.540 49.901 ( 9.211 2.855 -4.149) 10.498 50.336 ( -8.492 -10.412 3.829) 13.970 50.926 ( 3.139 -1.468 -4.236) 5.473 51.207 ( 3.105 -3.632 5.959) 7.638 ======================= Grid point 272 (154/186) ======================= q-point: (-0.58 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 6.626 -16.603 -0.612) 17.886 3.172 ( 13.015 -7.854 -8.154) 17.250 3.832 ( 16.217 -5.046 -7.703) 18.649 4.108 ( 8.046 -15.068 3.501) 17.436 5.219 ( 7.903 -7.584 0.610) 10.970 5.279 ( 8.187 -8.903 5.614) 13.335 6.347 ( 11.357 -8.154 -15.096) 20.576 6.746 ( -8.903 9.130 6.552) 14.338 7.130 ( 1.030 -0.389 2.247) 2.502 7.550 ( 2.746 -7.321 17.071) 18.777 9.084 ( -2.684 2.378 -4.284) 5.587 9.177 ( -0.573 2.160 0.657) 2.329 14.202 ( -10.358 -22.496 -40.336) 47.332 14.389 ( 34.712 3.482 -28.061) 44.772 16.019 ( -21.469 -4.669 33.738) 40.261 17.233 ( 9.638 -0.366 25.783) 27.528 17.870 ( 32.956 0.549 15.800) 36.552 18.482 ( 12.494 -33.248 11.404) 37.305 20.918 ( -1.001 -3.351 -39.434) 39.589 22.355 ( 4.630 -2.456 30.778) 31.221 23.511 ( -16.437 14.049 -22.208) 30.996 24.509 ( -4.964 -0.300 -5.723) 7.582 25.489 ( 3.777 0.585 -0.532) 3.859 25.927 ( -7.647 -0.218 8.523) 11.453 26.450 ( 13.234 13.020 -2.586) 18.745 26.972 ( -0.924 -16.047 -1.540) 16.147 28.245 ( -8.036 11.505 -0.160) 14.035 28.400 ( -11.041 9.304 -2.848) 14.717 47.749 ( -5.094 2.463 -1.198) 5.784 48.281 ( 5.815 3.920 -1.390) 7.150 49.018 ( -6.306 6.349 -0.591) 8.968 49.539 ( -0.381 -1.316 -1.571) 2.084 49.778 ( -10.275 -7.055 -5.971) 13.820 50.298 ( 8.410 2.247 4.014) 9.585 50.960 ( 4.134 -2.665 -4.613) 6.743 51.202 ( 3.060 -3.443 6.368) 7.859 ======================= Grid point 273 (155/186) ======================= q-point: (-0.58 -0.22 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 8.582 -2.756 3.558) 9.691 3.277 ( 9.482 -3.834 -13.020) 16.557 3.949 ( 11.321 -15.629 3.452) 19.605 4.184 ( 19.279 -0.760 -2.881) 19.508 5.386 ( 14.335 -0.494 3.040) 14.662 5.424 ( 16.555 -1.124 2.594) 16.794 6.501 ( 16.363 -5.486 -13.849) 22.128 6.769 ( -6.150 8.459 1.435) 10.557 7.155 ( 0.417 -1.094 3.745) 3.924 7.496 ( 2.511 -1.186 18.333) 18.542 8.908 ( -12.197 -1.706 -4.398) 13.077 9.213 ( -1.109 -0.141 0.690) 1.314 13.612 ( -11.551 -13.234 -32.356) 36.816 15.139 ( 37.963 -6.029 -23.125) 44.858 15.618 ( -24.503 16.139 22.249) 36.822 17.335 ( 5.411 -8.933 23.322) 25.553 18.092 ( 13.804 -25.069 17.859) 33.733 18.699 ( 40.337 2.423 11.254) 41.948 20.580 ( -13.160 -8.480 -32.036) 35.656 22.629 ( 17.337 3.134 19.660) 26.399 23.401 ( -17.509 10.140 -24.017) 31.404 24.283 ( -12.309 -1.435 7.313) 14.389 25.546 ( -6.889 1.593 -3.672) 7.968 25.933 ( 4.924 5.354 3.095) 7.905 26.529 ( -2.334 -17.011 -2.996) 17.430 27.020 ( 14.937 8.421 0.011) 17.147 28.211 ( -18.036 2.683 -2.780) 18.445 28.229 ( -10.263 4.531 0.051) 11.219 47.714 ( -4.254 3.479 -0.694) 5.539 48.208 ( -2.741 -10.395 -1.890) 10.915 49.230 ( 0.022 16.612 -2.274) 16.766 49.463 ( -2.172 -2.926 -0.505) 3.679 49.520 ( -5.433 -2.395 -3.666) 6.978 50.508 ( 7.380 2.231 2.455) 8.091 50.966 ( 2.964 -4.440 -4.116) 6.741 51.191 ( 2.509 -2.419 6.320) 7.217 ======================= Grid point 281 (156/186) ======================= q-point: ( 0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 3.735 9.289 -0.000) 10.012 3.217 ( 11.120 15.435 -0.000) 19.023 4.400 ( -0.103 -6.210 0.000) 6.211 4.795 ( -1.230 3.528 -0.000) 3.736 5.767 ( 0.080 2.924 -0.000) 2.925 6.161 ( -13.337 31.967 -0.000) 34.638 6.742 ( 7.101 -2.336 0.000) 7.475 6.996 ( -4.030 -26.056 0.000) 26.366 7.479 ( 6.463 -8.322 0.000) 10.537 7.815 ( -2.695 -9.193 0.000) 9.580 7.842 ( 1.383 14.239 -0.000) 14.306 9.017 ( -5.041 -2.008 -0.000) 5.427 12.752 ( 2.055 16.475 -0.000) 16.603 14.392 ( 41.695 31.270 0.000) 52.118 16.308 ( -19.133 8.008 -0.000) 20.741 16.704 ( -17.178 2.743 -0.000) 17.396 17.918 ( -4.094 0.149 -0.000) 4.097 20.551 ( -2.470 -9.125 0.000) 9.454 21.279 ( 2.406 -33.804 0.000) 33.889 22.992 ( -4.526 11.194 -0.000) 12.074 22.996 ( 21.376 15.937 0.000) 26.663 24.337 ( 3.548 -29.477 0.000) 29.690 24.543 ( 3.802 21.001 -0.000) 21.342 26.115 ( -20.320 -0.088 -0.000) 20.320 26.327 ( -3.281 0.896 -0.000) 3.401 27.301 ( 1.586 9.768 -0.000) 9.896 27.643 ( 1.026 7.676 -0.000) 7.744 27.944 ( 2.612 -9.546 0.000) 9.897 47.699 ( 3.741 -2.007 0.000) 4.245 47.961 ( -4.522 1.990 -0.000) 4.940 48.975 ( 0.089 7.052 -0.000) 7.053 49.293 ( -11.550 -0.832 -0.000) 11.580 49.620 ( 8.188 0.638 0.000) 8.213 50.781 ( -3.311 3.883 -0.000) 5.103 50.841 ( 6.253 -1.481 0.000) 6.426 51.448 ( 0.538 -4.671 0.000) 4.702 ======================= Grid point 282 (157/186) ======================= q-point: ( 0.23 -0.23 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 11.034 4.205 0.000) 11.808 3.684 ( 13.051 5.532 0.000) 14.175 4.173 ( -0.319 -17.005 0.000) 17.008 4.774 ( 1.640 -5.610 0.000) 5.845 5.768 ( -2.605 -1.417 -0.000) 2.965 6.190 ( -21.820 9.484 -0.000) 23.792 6.420 ( -2.935 -19.292 0.000) 19.514 6.524 ( -11.284 -7.552 -0.000) 13.578 7.643 ( 13.865 -2.946 0.000) 14.174 7.730 ( 8.151 -8.464 0.000) 11.750 8.311 ( 7.056 20.480 -0.000) 21.662 8.905 ( -5.455 2.914 -0.000) 6.184 13.304 ( 17.915 18.264 -0.000) 25.584 15.803 ( 36.469 26.226 0.000) 44.920 16.242 ( 5.969 -2.862 0.000) 6.620 16.243 ( -26.447 -3.350 -0.000) 26.658 17.784 ( 1.579 -13.103 0.000) 13.198 20.489 ( 6.524 3.905 0.000) 7.603 20.614 ( 7.732 -40.813 0.000) 41.539 23.101 ( -7.711 10.871 -0.000) 13.328 23.742 ( -0.993 -33.181 0.000) 33.195 23.758 ( 17.135 19.491 -0.000) 25.952 25.110 ( 7.846 22.526 -0.000) 23.854 25.702 ( -16.442 -2.789 -0.000) 16.677 26.207 ( -8.136 -1.027 -0.000) 8.201 27.542 ( 0.673 11.320 -0.000) 11.340 27.795 ( 2.127 -10.136 0.000) 10.357 27.811 ( -1.869 10.195 -0.000) 10.365 47.812 ( 8.266 0.631 0.000) 8.290 47.867 ( -2.620 -3.014 0.000) 3.993 49.055 ( -11.145 1.079 -0.000) 11.197 49.218 ( 2.050 12.371 -0.000) 12.540 49.782 ( 4.639 3.426 0.000) 5.767 50.635 ( -9.254 -4.591 -0.000) 10.330 50.967 ( 5.744 0.400 0.000) 5.758 51.380 ( 3.745 -6.347 0.000) 7.369 ======================= Grid point 283 (158/186) ======================= q-point: (-0.77 -0.23 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.356 ( 13.056 0.876 0.000) 13.085 3.652 ( -2.131 -23.489 0.000) 23.586 4.046 ( 13.838 -1.484 0.000) 13.918 4.672 ( 4.569 -9.861 0.000) 10.868 5.565 ( -4.050 -10.152 0.000) 10.930 5.817 ( -3.764 -15.309 0.000) 15.765 6.216 ( -12.886 11.462 -0.000) 17.245 6.268 ( -10.499 6.768 -0.000) 12.492 7.702 ( 8.944 -13.958 0.000) 16.578 7.720 ( 9.640 -10.964 0.000) 14.599 8.820 ( 7.364 13.922 -0.000) 15.749 8.934 ( -4.671 8.202 -0.000) 9.439 14.152 ( 26.196 17.944 0.000) 31.752 15.610 ( -20.128 -8.270 -0.000) 21.761 16.206 ( 5.407 -21.865 0.000) 22.524 16.715 ( 9.140 12.137 -0.000) 15.193 17.708 ( 28.092 -7.481 0.000) 29.071 19.982 ( 12.575 -42.148 0.000) 43.984 21.025 ( 21.930 17.732 0.000) 28.202 22.871 ( -8.348 -34.170 0.000) 35.175 23.168 ( -15.377 9.501 -0.000) 18.076 24.352 ( 3.032 14.521 -0.000) 14.834 25.383 ( -7.127 0.915 -0.000) 7.185 25.783 ( 16.585 17.114 -0.000) 23.832 25.970 ( -11.857 -2.218 -0.000) 12.062 27.577 ( -1.842 -9.812 0.000) 9.983 27.786 ( 0.381 8.711 -0.000) 8.719 27.972 ( -4.943 11.727 -0.000) 12.726 47.763 ( -1.117 -3.284 0.000) 3.469 48.039 ( 9.260 4.115 0.000) 10.133 48.909 ( -6.812 2.319 -0.000) 7.196 49.457 ( 0.293 7.590 -0.000) 7.596 49.984 ( 3.964 8.291 -0.000) 9.190 50.248 ( -13.735 -9.855 -0.000) 16.905 51.080 ( 5.586 -0.455 0.000) 5.605 51.334 ( 4.343 -6.612 0.000) 7.911 ======================= Grid point 285 (159/186) ======================= q-point: ( 0.23 0.77 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 2.050 -21.040 0.000) 21.139 3.560 ( 8.607 -3.337 0.000) 9.231 4.321 ( 15.895 -0.894 0.000) 15.920 4.561 ( 5.597 -12.025 0.000) 13.264 5.405 ( 4.502 -1.509 0.000) 4.749 5.529 ( 0.636 -9.509 0.000) 9.530 6.257 ( -11.637 15.940 -0.000) 19.736 6.345 ( -3.979 14.041 -0.000) 14.594 7.554 ( 8.929 -15.704 0.000) 18.065 7.663 ( 9.292 -13.932 0.000) 16.746 8.939 ( -8.227 3.454 -0.000) 8.923 9.134 ( 4.207 5.384 -0.000) 6.833 14.595 ( -20.547 10.820 -0.000) 23.222 15.399 ( -15.069 -40.154 0.000) 42.888 15.586 ( 39.001 -4.405 0.000) 39.249 17.024 ( 2.581 10.938 -0.000) 11.238 18.505 ( 47.447 0.371 0.000) 47.448 19.409 ( 12.915 -40.916 0.000) 42.906 21.885 ( -15.358 -35.105 0.000) 38.317 21.915 ( 28.445 16.768 0.000) 33.019 23.074 ( -20.914 15.420 -0.000) 25.984 24.335 ( -15.140 -0.529 -0.000) 15.149 25.524 ( 9.960 7.718 0.000) 12.600 25.648 ( -15.481 -2.124 -0.000) 15.626 26.489 ( 18.884 15.908 0.000) 24.691 27.283 ( -2.790 -14.329 0.000) 14.599 27.918 ( -4.644 7.886 -0.000) 9.152 28.034 ( -10.152 8.311 -0.000) 13.120 47.692 ( -0.127 -2.560 0.000) 2.564 48.327 ( 7.590 5.890 0.000) 9.607 48.853 ( -2.665 1.463 -0.000) 3.040 49.543 ( -1.130 2.618 -0.000) 2.851 49.754 ( -14.656 -8.503 -0.000) 16.944 50.241 ( 3.351 8.836 -0.000) 9.450 51.176 ( 6.297 -1.880 0.000) 6.572 51.272 ( 1.799 -6.178 0.000) 6.434 ======================= Grid point 287 (160/186) ======================= q-point: ( 0.23 0.77 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 4.407 -11.292 0.000) 12.121 3.556 ( 0.984 -6.287 0.000) 6.363 4.415 ( 4.425 -11.254 0.000) 12.092 4.637 ( 17.056 -2.367 0.000) 17.219 5.468 ( 1.880 1.266 0.000) 2.267 5.727 ( 17.995 8.600 0.000) 19.945 6.371 ( -9.510 16.379 -0.000) 18.940 6.628 ( 0.083 16.501 -0.000) 16.501 7.498 ( 12.378 -10.645 0.000) 16.326 7.512 ( 6.311 -17.280 0.000) 18.396 8.718 ( -14.052 -2.833 -0.000) 14.335 9.211 ( -0.179 -1.305 0.000) 1.317 14.240 ( -21.993 -33.916 0.000) 40.422 14.317 ( -25.493 14.747 -0.000) 29.451 16.360 ( 41.223 -9.091 0.000) 42.214 17.197 ( -1.196 2.998 -0.000) 3.228 18.819 ( 6.825 -38.038 0.000) 38.646 19.495 ( 48.969 0.436 0.000) 48.971 20.990 ( -12.188 -22.444 0.000) 25.540 22.769 ( 29.467 9.216 0.000) 30.874 22.959 ( -23.505 18.409 -0.000) 29.856 23.923 ( -15.518 -6.347 -0.000) 16.766 25.277 ( -18.541 -0.264 -0.000) 18.543 25.930 ( 10.593 9.564 0.000) 14.272 26.906 ( -2.165 -17.535 0.000) 17.668 27.131 ( 15.971 11.969 0.000) 19.958 27.878 ( -14.360 1.364 -0.000) 14.424 27.910 ( -9.042 5.309 -0.000) 10.485 47.652 ( 0.414 -1.772 0.000) 1.820 48.402 ( 0.612 -9.050 0.000) 9.071 48.967 ( 2.165 11.760 -0.000) 11.958 49.395 ( -11.682 -0.071 -0.000) 11.682 49.536 ( -0.691 -1.308 0.000) 1.479 50.462 ( 2.462 7.530 -0.000) 7.922 51.147 ( -1.846 -6.190 0.000) 6.460 51.261 ( 6.964 -2.773 0.000) 7.496 ======================= Grid point 289 (161/186) ======================= q-point: ( 0.23 -0.23 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -0.034 -2.506 0.000) 2.506 3.382 ( -8.325 -2.086 -0.000) 8.583 4.336 ( 5.632 -5.987 0.000) 8.220 4.825 ( 7.409 -4.346 0.000) 8.590 5.647 ( 4.426 7.555 -0.000) 8.756 6.332 ( 19.836 8.904 0.000) 21.743 6.531 ( -3.827 13.103 -0.000) 13.651 6.870 ( -6.693 4.402 -0.000) 8.011 7.278 ( 7.872 -11.325 0.000) 13.793 7.612 ( 12.826 -4.144 0.000) 13.479 8.292 ( -18.432 -5.618 -0.000) 19.269 9.118 ( -1.449 -4.758 0.000) 4.973 13.272 ( -20.831 -17.040 -0.000) 26.913 14.232 ( -26.055 28.580 -0.000) 38.674 16.684 ( 17.429 -20.086 0.000) 26.593 17.070 ( -4.776 -9.099 0.000) 10.277 18.206 ( -0.170 -25.238 0.000) 25.239 20.456 ( 44.035 1.019 0.000) 44.047 20.562 ( 0.299 -9.181 0.000) 9.186 22.911 ( -20.963 22.136 -0.000) 30.486 23.279 ( -0.938 -2.833 0.000) 2.984 23.722 ( 17.795 1.140 0.000) 17.831 24.903 ( -20.417 2.155 -0.000) 20.530 26.261 ( 5.737 5.235 0.000) 7.766 26.510 ( -0.022 -19.392 0.000) 19.392 27.516 ( -10.388 4.546 -0.000) 11.339 27.658 ( 8.476 1.105 0.000) 8.548 27.791 ( -10.275 2.912 -0.000) 10.680 47.642 ( 0.857 -0.193 0.000) 0.878 48.154 ( -1.105 -11.375 0.000) 11.428 49.119 ( -8.508 3.259 -0.000) 9.111 49.387 ( 0.129 12.920 -0.000) 12.921 49.459 ( 0.464 -6.312 0.000) 6.329 50.657 ( 1.718 7.798 -0.000) 7.985 50.962 ( -3.726 -5.941 0.000) 7.013 51.349 ( 6.669 -2.093 0.000) 6.990 ======================= Grid point 317 (162/186) ======================= q-point: (-0.35 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -4.390 -15.446 -18.824) 24.743 2.060 ( 3.767 -24.441 -16.525) 29.743 3.225 ( -0.269 -7.104 -14.035) 15.733 4.078 ( 0.258 2.236 14.832) 15.002 4.749 ( -0.306 -1.630 -24.554) 24.610 5.077 ( 1.499 -7.446 10.266) 12.770 5.250 ( -1.214 -19.611 -1.506) 19.706 7.315 ( 1.067 4.435 13.016) 13.792 7.348 ( -1.065 1.417 11.980) 12.111 7.806 ( 0.142 -1.397 20.731) 20.778 9.021 ( -1.021 1.829 -6.402) 6.736 9.107 ( 0.872 -5.887 -3.809) 7.066 12.957 ( 0.601 0.714 -38.134) 38.145 13.156 ( -0.859 -18.711 -37.974) 42.342 16.893 ( 1.532 11.789 0.737) 11.911 17.350 ( 0.060 -2.646 -3.092) 4.070 17.947 ( -6.356 -7.475 55.260) 56.124 18.097 ( 4.967 -20.329 53.384) 57.339 20.639 ( 0.180 21.348 -20.459) 29.569 22.785 ( -0.080 -1.916 23.494) 23.572 23.735 ( 1.158 22.359 -30.243) 37.628 24.250 ( -2.650 -1.078 -19.313) 19.523 24.833 ( 1.485 -27.816 -16.504) 32.378 26.297 ( 1.419 7.964 -5.168) 9.600 26.382 ( -2.264 0.096 -3.125) 3.860 26.785 ( 0.836 -5.106 16.673) 17.457 28.523 ( -0.083 4.085 -4.815) 6.315 29.042 ( 0.027 17.221 3.325) 17.540 48.050 ( 2.789 10.228 -6.209) 12.286 48.140 ( -3.478 3.818 -2.856) 5.902 49.395 ( -2.912 2.730 -0.509) 4.024 49.512 ( 1.584 0.786 -0.409) 1.815 49.669 ( 6.761 2.566 -3.255) 7.930 49.956 ( -4.652 -17.803 1.896) 18.498 50.739 ( -0.040 -0.985 -5.668) 5.753 51.195 ( -0.024 -1.992 4.654) 5.063 ======================= Grid point 328 (163/186) ======================= q-point: (-0.54 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 7.310 -8.669 -0.871) 11.373 3.226 ( -1.455 -17.095 -14.744) 22.621 3.699 ( -7.573 -7.849 4.894) 11.955 4.199 ( 2.467 -18.462 -0.642) 18.637 5.393 ( 0.481 -21.127 0.154) 21.133 5.404 ( -0.036 -14.670 6.805) 16.172 6.410 ( -2.787 -15.502 -15.512) 22.107 6.861 ( -0.620 4.991 4.488) 6.740 7.120 ( -0.579 0.344 2.960) 3.036 7.544 ( 4.342 -4.873 17.630) 18.799 8.886 ( -0.045 11.959 -4.685) 12.844 9.201 ( -1.106 3.630 0.303) 3.807 13.480 ( 1.406 9.957 -27.307) 29.100 15.024 ( -4.452 -32.437 -24.227) 40.729 16.031 ( 20.744 16.671 8.441) 27.920 17.118 ( -9.653 0.920 24.709) 26.544 17.681 ( -15.629 -17.044 30.387) 38.186 18.795 ( 6.872 -38.892 8.187) 40.334 20.515 ( 1.968 15.871 -32.173) 35.928 22.658 ( -0.306 -19.364 19.013) 27.139 23.531 ( 1.845 16.885 -25.488) 30.629 24.296 ( 3.177 10.718 4.416) 12.019 25.598 ( 3.245 3.293 -0.076) 4.624 25.976 ( -2.917 1.441 -4.988) 5.955 26.228 ( -10.214 0.311 6.424) 12.071 27.171 ( 6.225 -14.448 -1.855) 15.841 28.188 ( -3.262 16.884 -1.129) 17.234 28.312 ( 1.939 13.983 -0.964) 14.150 47.816 ( 6.458 6.064 -1.508) 8.986 47.996 ( -9.846 3.478 -1.875) 10.609 49.299 ( -7.808 1.207 0.556) 7.921 49.507 ( 0.346 5.558 -5.120) 7.564 49.624 ( 16.530 0.654 -0.690) 16.557 50.488 ( -4.832 -10.792 2.355) 12.057 50.901 ( -1.164 -1.094 -4.426) 4.705 51.169 ( 0.405 -2.909 6.158) 6.823 ======================= Grid point 329 (164/186) ======================= q-point: (-0.54 -0.26 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 3.379 -19.698 -9.180) 21.994 2.884 ( 13.484 -14.152 -3.742) 19.902 3.595 ( 6.837 -6.289 -6.233) 11.187 3.971 ( 5.448 -12.260 5.034) 14.330 5.091 ( 5.089 -12.400 -0.500) 13.413 5.150 ( 3.897 -12.340 9.120) 15.832 6.146 ( 7.535 -14.237 -24.327) 29.176 6.904 ( -6.418 6.879 10.172) 13.855 7.124 ( -0.133 1.306 3.944) 4.157 7.496 ( 2.714 -6.350 18.816) 20.043 9.066 ( 1.601 4.747 -3.639) 6.192 9.220 ( -1.553 0.127 -0.760) 1.734 13.832 ( 19.348 4.110 -29.479) 35.500 14.339 ( -3.428 -27.227 -36.306) 45.510 16.357 ( -9.497 2.913 27.669) 29.399 17.126 ( -2.288 -6.527 23.977) 24.954 17.330 ( 20.184 1.520 23.943) 31.352 18.254 ( 9.983 -32.612 9.155) 35.313 20.895 ( 2.582 10.052 -35.736) 37.213 22.333 ( -1.345 -7.793 28.652) 29.723 23.791 ( -10.493 16.446 -22.909) 30.090 24.517 ( 3.173 3.194 -9.197) 10.240 25.464 ( -0.903 -7.895 -2.447) 8.315 26.057 ( -4.871 -0.671 13.201) 14.087 26.244 ( 5.940 13.648 -3.823) 15.368 26.963 ( 2.145 -15.207 -1.550) 15.435 28.389 ( -5.986 12.262 -1.690) 13.749 28.578 ( -6.120 13.948 -0.204) 15.233 47.886 ( -8.315 4.708 -2.858) 9.974 48.139 ( 7.755 7.974 -1.608) 11.239 49.172 ( -8.431 3.926 0.428) 9.310 49.546 ( -0.498 -0.573 -2.147) 2.277 49.916 ( 2.522 -2.605 -5.980) 6.993 50.136 ( 2.097 -8.115 5.146) 9.835 50.895 ( 2.224 -1.492 -5.245) 5.889 51.146 ( 2.212 -2.453 6.318) 7.129 ======================= Grid point 330 (165/186) ======================= q-point: (-0.54 -0.26 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 11.024 -4.982 -0.719) 12.118 2.985 ( 19.147 -10.690 -12.076) 25.034 3.679 ( 14.305 -9.090 -4.225) 17.467 3.906 ( 7.438 -4.238 5.366) 10.103 5.093 ( 11.951 -4.759 1.424) 12.942 5.152 ( 12.546 -3.968 6.414) 14.638 6.160 ( 16.137 -8.122 -24.995) 30.840 6.900 ( -6.489 5.958 7.672) 11.682 7.162 ( -0.559 1.285 4.911) 5.107 7.441 ( 2.881 -2.863 20.786) 21.179 9.090 ( -5.640 -1.265 -4.216) 7.154 9.204 ( 1.636 1.038 0.217) 1.950 13.796 ( -6.374 -15.475 -35.811) 39.529 14.408 ( 32.787 -1.488 -27.942) 43.104 16.086 ( -21.568 10.348 24.737) 34.412 17.163 ( 11.200 -5.136 35.507) 37.584 17.795 ( 15.445 -19.657 8.808) 26.505 18.001 ( 27.134 -3.062 13.448) 30.438 20.848 ( -12.469 -2.261 -33.511) 35.827 22.363 ( 8.728 1.300 26.637) 28.061 23.767 ( -18.061 10.584 -25.428) 32.936 24.477 ( -6.541 -2.212 -1.031) 6.981 25.490 ( 9.384 -0.325 -8.488) 12.657 25.963 ( -5.727 3.550 11.373) 13.219 26.569 ( -0.028 -9.455 -5.828) 11.106 26.753 ( 10.098 3.037 3.133) 11.000 28.425 ( -8.972 5.705 -2.360) 10.890 28.560 ( -15.958 6.280 0.228) 17.151 47.832 ( -7.418 5.664 -2.401) 9.637 48.258 ( -1.497 -5.972 -1.876) 6.436 49.242 ( -1.675 15.118 -1.417) 15.276 49.478 ( -0.742 -4.369 0.752) 4.495 49.660 ( -7.010 -4.165 -4.694) 9.408 50.313 ( 12.134 -1.296 2.496) 12.455 50.907 ( 2.567 -2.429 -5.271) 6.346 51.145 ( 2.171 -2.119 6.407) 7.089 ======================= Grid point 339 (166/186) ======================= q-point: ( 0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 5.785 1.801 0.000) 6.059 3.451 ( 8.567 8.180 0.000) 11.845 4.225 ( -4.520 -11.684 0.000) 12.528 4.768 ( -1.219 -6.245 0.000) 6.363 5.760 ( 3.250 -4.503 0.000) 5.553 6.429 ( 1.163 -25.259 0.000) 25.286 6.638 ( -20.431 11.357 -0.000) 23.376 6.658 ( -0.860 -3.543 0.000) 3.646 7.364 ( 13.042 -3.788 0.000) 13.581 7.606 ( 3.538 -10.231 0.000) 10.826 8.232 ( 0.356 21.055 -0.000) 21.058 9.014 ( -5.360 2.100 -0.000) 5.757 13.107 ( 0.947 18.468 -0.000) 18.492 14.950 ( 41.368 23.853 0.000) 47.752 16.351 ( -12.078 -3.897 -0.000) 12.692 16.748 ( -21.919 1.040 -0.000) 21.944 17.856 ( -9.749 -6.304 -0.000) 11.610 20.449 ( -2.080 -0.183 -0.000) 2.088 20.500 ( 3.700 -42.664 0.000) 42.824 23.212 ( -3.940 8.586 -0.000) 9.447 23.356 ( 21.689 19.301 0.000) 29.034 23.742 ( 0.664 -27.048 0.000) 27.057 24.975 ( 5.135 21.171 -0.000) 21.785 26.098 ( -21.006 -1.137 -0.000) 21.037 26.304 ( -1.291 -3.277 0.000) 3.522 27.536 ( -0.242 13.673 -0.000) 13.675 27.731 ( 4.190 -11.549 0.000) 12.286 27.825 ( 0.493 10.319 -0.000) 10.331 47.683 ( 4.308 0.542 0.000) 4.341 47.966 ( -7.185 -0.538 -0.000) 7.205 49.173 ( 2.355 11.469 -0.000) 11.708 49.281 ( -10.690 -0.356 -0.000) 10.696 49.630 ( 10.338 0.320 0.000) 10.343 50.771 ( -0.764 -4.418 0.000) 4.483 50.868 ( 0.557 3.505 -0.000) 3.549 51.333 ( 0.745 -6.481 0.000) 6.524 ======================= Grid point 340 (167/186) ======================= q-point: (-0.73 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 13.362 -0.671 0.000) 13.379 3.729 ( -3.497 -13.312 0.000) 13.763 3.779 ( 9.765 -9.092 0.000) 13.343 4.589 ( 3.244 -12.554 0.000) 12.966 5.609 ( -0.262 -13.017 0.000) 13.019 5.867 ( -1.534 -23.690 0.000) 23.740 6.477 ( -9.538 1.741 -0.000) 9.696 6.492 ( -14.513 9.705 -0.000) 17.459 7.510 ( 10.469 -10.078 0.000) 14.531 7.546 ( 7.557 -9.398 0.000) 12.060 8.691 ( 4.996 16.480 -0.000) 17.221 9.022 ( -4.076 7.661 -0.000) 8.678 13.665 ( 18.385 17.256 0.000) 25.215 15.891 ( 25.112 -16.650 0.000) 30.131 16.154 ( -29.901 -5.810 -0.000) 30.460 16.427 ( 15.188 20.811 -0.000) 25.764 17.468 ( -1.675 -17.487 0.000) 17.567 19.757 ( 9.494 -43.188 0.000) 44.219 20.684 ( 11.621 14.732 -0.000) 18.763 22.977 ( -2.455 -31.124 0.000) 31.221 23.434 ( -11.124 11.377 -0.000) 15.912 24.131 ( 16.703 17.172 -0.000) 23.955 25.502 ( 8.058 10.986 -0.000) 13.625 25.679 ( -17.095 5.892 -0.000) 18.082 26.152 ( -5.777 -4.449 -0.000) 7.292 27.568 ( 2.862 -12.365 0.000) 12.692 27.798 ( -1.933 14.021 -0.000) 14.154 28.045 ( -2.165 12.853 -0.000) 13.034 47.824 ( -5.053 -0.896 -0.000) 5.132 47.862 ( 8.065 4.398 0.000) 9.186 49.079 ( -9.648 1.334 -0.000) 9.740 49.439 ( 1.354 8.910 -0.000) 9.012 49.859 ( 8.797 4.199 0.000) 9.748 50.500 ( -10.894 -8.709 -0.000) 13.948 50.978 ( 4.428 0.558 0.000) 4.463 51.247 ( 3.777 -6.539 0.000) 7.551 ======================= Grid point 342 (168/186) ======================= q-point: (-0.73 -0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -0.837 -24.268 0.000) 24.283 3.336 ( 13.529 -2.594 0.000) 13.776 4.013 ( 14.406 -2.653 0.000) 14.648 4.418 ( 7.730 -15.386 0.000) 17.218 5.346 ( 1.812 -10.248 0.000) 10.407 5.486 ( 3.202 -15.138 0.000) 15.472 6.437 ( -4.787 8.772 -0.000) 9.993 6.468 ( -9.469 11.270 -0.000) 14.720 7.403 ( 6.385 -14.511 0.000) 15.854 7.491 ( 7.447 -11.353 0.000) 13.577 9.040 ( 4.753 7.899 -0.000) 9.219 9.080 ( -5.653 5.627 -0.000) 7.976 14.498 ( 28.906 15.858 0.000) 32.970 15.436 ( -23.745 -7.898 -0.000) 25.024 15.568 ( -0.343 -35.751 0.000) 35.753 16.947 ( 2.946 5.490 -0.000) 6.230 17.631 ( 38.412 0.769 0.000) 38.419 19.147 ( 12.535 -40.001 0.000) 41.919 21.404 ( 21.967 18.995 0.000) 29.041 22.160 ( -11.704 -32.759 0.000) 34.787 23.449 ( -16.224 15.627 -0.000) 22.526 24.550 ( -3.505 4.667 -0.000) 5.837 25.391 ( 0.733 2.157 -0.000) 2.278 25.907 ( -9.821 -3.931 -0.000) 10.579 26.152 ( 13.705 17.818 -0.000) 22.479 27.321 ( -0.608 -14.722 0.000) 14.735 28.003 ( -4.296 11.849 -0.000) 12.603 28.214 ( -7.316 11.840 -0.000) 13.917 47.729 ( -3.572 -0.059 -0.000) 3.572 48.162 ( 8.669 7.469 0.000) 11.443 48.950 ( -6.710 2.014 -0.000) 7.006 49.556 ( -0.339 2.360 -0.000) 2.385 50.039 ( -13.599 -10.467 -0.000) 17.161 50.142 ( 6.877 6.994 -0.000) 9.809 51.063 ( 4.805 -1.156 0.000) 4.942 51.209 ( 4.080 -5.696 0.000) 7.007 ======================= Grid point 344 (169/186) ======================= q-point: ( 0.27 0.73 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 5.379 -13.554 0.000) 14.582 3.480 ( 6.986 -3.972 0.000) 8.036 4.268 ( 9.624 -16.654 0.000) 19.235 4.277 ( 18.042 -3.184 0.000) 18.321 5.386 ( 6.255 -4.794 0.000) 7.881 5.398 ( 13.959 0.330 0.000) 13.963 6.535 ( -6.501 10.718 -0.000) 12.536 6.623 ( 0.685 13.130 -0.000) 13.148 7.287 ( 8.163 -9.765 0.000) 12.728 7.380 ( 6.220 -13.697 0.000) 15.043 8.973 ( -10.916 0.062 -0.000) 10.916 9.196 ( 1.652 1.241 0.000) 2.066 14.633 ( -16.362 -34.488 0.000) 38.172 14.856 ( -27.628 13.715 -0.000) 30.845 15.499 ( 42.664 -1.507 0.000) 42.691 17.125 ( 8.399 -1.528 0.000) 8.537 18.533 ( 44.869 2.632 0.000) 44.946 18.622 ( 11.590 -36.805 0.000) 38.587 21.284 ( -16.058 -23.752 0.000) 28.670 22.209 ( 25.536 11.996 0.000) 28.213 23.406 ( -20.487 17.232 -0.000) 26.770 24.252 ( -16.527 -6.560 -0.000) 17.781 25.609 ( -13.902 -1.580 -0.000) 13.992 25.700 ( 11.784 9.405 0.000) 15.077 26.790 ( 16.992 13.434 0.000) 21.661 26.954 ( -2.482 -18.094 0.000) 18.264 28.081 ( -8.126 8.044 -0.000) 11.434 28.175 ( -14.232 5.324 -0.000) 15.195 47.674 ( -2.659 0.735 -0.000) 2.759 48.376 ( 2.351 -2.922 0.000) 3.751 48.952 ( -1.169 10.298 -0.000) 10.364 49.546 ( -0.397 -2.326 0.000) 2.360 49.626 ( -11.137 -4.224 -0.000) 11.911 50.391 ( 4.840 6.105 -0.000) 7.791 51.132 ( 5.676 -2.245 0.000) 6.104 51.153 ( 1.187 -5.708 0.000) 5.830 ======================= Grid point 346 (170/186) ======================= q-point: ( 0.27 0.73 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 4.926 -1.598 0.000) 5.178 3.480 ( -1.490 -0.473 -0.000) 1.563 4.170 ( 11.074 -12.770 0.000) 16.903 4.580 ( 16.025 -2.574 0.000) 16.231 5.523 ( 8.079 3.389 0.000) 8.761 5.853 ( 24.417 3.719 0.000) 24.699 6.613 ( -3.525 6.492 -0.000) 7.387 6.938 ( 1.160 11.996 -0.000) 12.052 7.176 ( 2.900 -13.656 0.000) 13.961 7.365 ( 10.797 -1.837 0.000) 10.952 8.657 ( -16.993 -2.667 -0.000) 17.201 9.163 ( -2.654 -3.022 0.000) 4.021 13.690 ( -20.136 -19.656 -0.000) 28.139 14.730 ( -22.785 25.497 -0.000) 34.194 16.200 ( 28.816 -5.021 0.000) 29.250 17.105 ( 2.098 -12.229 0.000) 12.408 18.135 ( 7.323 -29.161 0.000) 30.067 19.521 ( 47.403 2.478 0.000) 47.468 20.660 ( -10.074 -10.439 0.000) 14.508 22.913 ( 27.152 5.155 0.000) 27.637 23.347 ( -21.643 19.886 -0.000) 29.391 23.781 ( -13.985 -7.390 -0.000) 15.817 25.294 ( -17.729 2.023 -0.000) 17.844 26.103 ( 9.694 7.109 0.000) 12.022 26.520 ( -1.222 -20.570 0.000) 20.606 27.337 ( 14.978 8.490 0.000) 17.217 27.883 ( -17.379 -0.880 -0.000) 17.401 28.004 ( -10.890 3.821 -0.000) 11.541 47.652 ( -1.914 1.817 -0.000) 2.640 48.179 ( -1.752 -11.605 0.000) 11.736 49.248 ( -2.661 13.621 -0.000) 13.879 49.431 ( -5.548 4.277 -0.000) 7.005 49.452 ( 0.193 -6.802 0.000) 6.805 50.598 ( 4.191 5.708 -0.000) 7.082 51.021 ( -1.999 -6.204 0.000) 6.518 51.212 ( 6.595 -1.831 0.000) 6.845 ======================= Grid point 376 (171/186) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 0.000 -20.610) 20.610 1.767 ( 0.000 0.000 -20.610) 20.610 3.163 ( 0.000 0.000 -16.335) 16.335 4.107 ( -0.000 -0.000 15.941) 15.941 4.784 ( 0.000 0.000 -39.417) 39.417 4.997 ( -0.000 -0.000 11.935) 11.935 4.997 ( -0.000 -0.000 11.935) 11.935 7.362 ( -0.000 -0.000 12.362) 12.362 7.362 ( -0.000 -0.000 12.362) 12.362 7.790 ( -0.000 -0.000 22.298) 22.298 9.036 ( 0.000 0.000 -5.991) 5.991 9.036 ( 0.000 0.000 -5.991) 5.991 12.964 ( 0.000 0.000 -38.620) 38.620 12.964 ( 0.000 0.000 -38.620) 38.620 17.032 ( 0.000 0.000 -7.294) 7.294 17.321 ( 0.000 0.000 -4.673) 4.673 17.869 ( -0.000 -0.000 60.009) 60.009 17.869 ( -0.000 -0.000 60.009) 60.009 20.878 ( 0.000 0.000 -10.649) 10.649 22.769 ( -0.000 -0.000 23.208) 23.208 24.236 ( 0.000 0.000 -20.151) 20.151 24.236 ( 0.000 0.000 -20.151) 20.151 24.267 ( 0.000 0.000 -33.779) 33.779 26.382 ( 0.000 0.000 -6.262) 6.262 26.382 ( 0.000 0.000 -6.262) 6.262 26.730 ( -0.000 -0.000 22.462) 22.462 28.565 ( 0.000 0.000 -5.659) 5.659 29.231 ( -0.000 -0.000 8.554) 8.554 48.181 ( 0.000 0.000 -3.080) 3.080 48.181 ( 0.000 0.000 -3.080) 3.080 49.429 ( 0.000 0.000 -1.745) 1.745 49.562 ( -0.000 -0.000 1.418) 1.418 49.697 ( 0.000 0.000 -2.655) 2.655 49.697 ( 0.000 0.000 -2.655) 2.655 50.729 ( 0.000 0.000 -5.857) 5.857 51.174 ( -0.000 -0.000 4.070) 4.070 ======================= Grid point 387 (172/186) ======================= q-point: (-0.49 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 6.186 -13.641 -6.336) 16.263 2.791 ( -5.812 -24.206 -8.726) 26.379 3.553 ( -2.398 -7.955 -3.057) 8.853 3.893 ( 2.086 -9.779 5.185) 11.263 5.038 ( -0.254 -13.820 1.487) 13.902 5.114 ( -0.027 -13.777 8.366) 16.118 6.070 ( -0.343 -16.718 -28.639) 33.164 6.972 ( 0.493 5.822 9.793) 11.404 7.144 ( -2.016 1.499 5.136) 5.717 7.443 ( 2.206 -5.135 20.462) 21.211 9.060 ( -1.022 5.464 -4.087) 6.900 9.224 ( 0.752 -1.309 -0.467) 1.580 13.634 ( 0.327 5.088 -32.128) 32.530 14.375 ( -1.215 -30.119 -29.219) 41.981 16.334 ( 10.481 13.626 16.624) 23.914 17.103 ( 1.948 -4.631 37.640) 37.974 17.358 ( -18.742 -11.396 18.659) 28.797 18.084 ( 6.884 -31.241 7.470) 32.852 20.845 ( 1.706 15.763 -31.638) 35.388 22.366 ( -1.135 -9.327 25.427) 27.107 23.895 ( 0.912 18.859 -26.059) 32.181 24.457 ( 1.158 5.270 -2.506) 5.949 25.483 ( -0.482 -12.069 -8.903) 15.005 26.048 ( 4.276 4.453 11.951) 13.452 26.312 ( -11.128 6.803 -1.051) 13.085 26.881 ( 5.894 -13.941 -0.728) 15.153 28.467 ( -1.283 10.847 -3.739) 11.545 28.634 ( 0.631 16.896 2.291) 17.063 47.965 ( 6.740 8.595 -3.209) 11.385 48.089 ( -8.919 5.344 -1.916) 10.572 49.335 ( -7.038 2.469 0.451) 7.473 49.542 ( 4.083 -0.888 -1.516) 4.445 49.674 ( 11.790 3.377 -2.782) 12.576 50.236 ( -6.195 -14.103 1.881) 15.518 50.876 ( -0.388 -1.205 -5.558) 5.700 51.123 ( -0.001 -1.875 6.290) 6.564 ======================= Grid point 388 (173/186) ======================= q-point: (-0.49 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 7.340 -10.346 -7.754) 14.867 2.569 ( 19.729 -16.532 -9.649) 27.489 3.464 ( 6.336 -5.237 -7.565) 11.171 3.822 ( 2.110 -3.373 10.959) 11.658 4.910 ( 6.885 -5.859 3.332) 9.635 4.940 ( 7.090 -7.785 9.063) 13.893 5.890 ( 9.914 -9.845 -35.165) 37.839 7.025 ( -5.658 4.938 11.519) 13.751 7.166 ( 0.254 1.925 5.754) 6.073 7.382 ( 2.879 -4.641 21.784) 22.459 9.126 ( 1.071 1.616 -3.301) 3.828 9.184 ( 0.191 -2.762 -1.785) 3.294 13.846 ( 7.298 -7.837 -31.693) 33.454 13.903 ( 9.862 -8.903 -33.341) 35.891 16.467 ( -15.164 7.825 28.386) 33.120 16.954 ( 7.029 -6.515 40.171) 41.298 17.436 ( 17.702 5.530 5.015) 19.212 17.667 ( 8.630 -25.286 9.467) 28.346 21.048 ( -6.676 5.281 -29.707) 30.903 22.267 ( 1.446 -0.352 28.717) 28.756 24.103 ( -14.428 13.737 -22.316) 29.914 24.540 ( 0.002 -0.522 -8.505) 8.521 25.289 ( 8.929 -8.468 -13.859) 18.534 26.086 ( -5.865 3.117 17.719) 18.923 26.470 ( 6.628 8.259 -3.919) 11.292 26.672 ( 0.981 -12.729 0.818) 12.793 28.576 ( -5.616 6.185 -5.098) 9.787 28.827 ( -9.828 9.652 4.735) 14.567 48.006 ( -9.449 6.921 -3.169) 12.134 48.247 ( 2.808 1.508 -1.794) 3.657 49.305 ( -4.494 9.628 -0.618) 10.643 49.505 ( -1.910 -3.269 -0.165) 3.789 49.791 ( -5.569 -7.582 -3.534) 10.050 50.029 ( 15.071 -3.964 1.949) 15.705 50.869 ( 1.229 -1.034 -5.779) 5.998 51.107 ( 1.421 -1.366 5.807) 6.132 ======================= Grid point 398 (174/186) ======================= q-point: (-0.68 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 8.216 -3.251 0.000) 8.836 3.554 ( 7.743 1.692 0.000) 7.926 3.921 ( -11.256 -17.912 0.000) 21.155 4.553 ( 0.170 -14.601 0.000) 14.602 5.584 ( 2.416 -12.252 0.000) 12.488 5.885 ( -0.083 -26.457 0.000) 26.457 6.625 ( -4.378 -0.392 -0.000) 4.396 6.796 ( -15.395 4.262 -0.000) 15.975 7.275 ( 12.663 -5.893 0.000) 13.967 7.413 ( 5.392 -8.612 0.000) 10.161 8.633 ( 0.668 17.904 -0.000) 17.916 9.097 ( -3.448 5.475 -0.000) 6.470 13.480 ( -0.647 18.093 -0.000) 18.104 15.305 ( 30.441 8.393 0.000) 31.577 16.206 ( 5.988 -6.847 0.000) 9.096 16.722 ( -24.878 -4.205 -0.000) 25.231 17.666 ( -16.984 -12.183 -0.000) 20.902 19.603 ( 5.807 -45.106 0.000) 45.478 20.562 ( 0.573 11.276 -0.000) 11.291 22.982 ( 1.735 -27.802 0.000) 27.856 23.626 ( -8.253 12.513 -0.000) 14.990 23.751 ( 20.001 19.347 0.000) 27.828 25.364 ( 5.052 16.424 -0.000) 17.184 26.090 ( -21.660 1.031 -0.000) 21.685 26.195 ( 1.498 -7.463 0.000) 7.612 27.478 ( 5.699 -13.452 0.000) 14.609 27.847 ( -2.417 16.845 -0.000) 17.018 28.056 ( 1.108 12.406 -0.000) 12.455 47.725 ( 5.359 3.656 0.000) 6.488 47.967 ( -9.025 1.081 -0.000) 9.090 49.280 ( -9.762 0.266 -0.000) 9.766 49.400 ( 2.947 10.346 -0.000) 10.757 49.631 ( 13.133 -0.276 0.000) 13.136 50.650 ( -2.405 -7.610 0.000) 7.981 50.930 ( -1.146 2.491 -0.000) 2.742 51.199 ( 0.804 -6.432 0.000) 6.482 ======================= Grid point 400 (175/186) ======================= q-point: (-0.68 -0.32 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 15.704 -4.219 0.000) 16.261 3.227 ( -6.666 -26.620 0.000) 27.442 3.758 ( 10.265 -1.958 0.000) 10.450 4.279 ( 5.593 -17.740 0.000) 18.600 5.316 ( 1.241 -14.822 0.000) 14.874 5.422 ( 2.593 -19.803 0.000) 19.972 6.531 ( -4.521 2.688 -0.000) 5.260 6.650 ( -8.860 5.444 -0.000) 10.399 7.280 ( 6.265 -11.300 0.000) 12.920 7.366 ( 5.187 -8.139 0.000) 9.652 8.960 ( 2.811 10.117 -0.000) 10.500 9.165 ( -2.786 5.576 -0.000) 6.233 13.981 ( 18.371 13.521 0.000) 22.810 15.417 ( 12.946 -28.282 0.000) 31.104 16.014 ( -29.700 -7.269 -0.000) 30.577 16.831 ( 24.231 18.229 0.000) 30.323 17.108 ( -1.754 -17.554 0.000) 17.641 18.917 ( 10.186 -39.406 0.000) 40.702 21.043 ( 13.559 19.698 -0.000) 23.914 22.348 ( -6.790 -28.707 0.000) 29.499 23.729 ( -11.737 16.001 -0.000) 19.844 24.433 ( 13.014 12.286 0.000) 17.897 25.514 ( -9.063 -2.320 -0.000) 9.355 25.982 ( 1.209 16.855 -0.000) 16.898 26.033 ( -2.619 -7.004 0.000) 7.478 27.295 ( 3.256 -14.632 0.000) 14.990 28.101 ( -5.303 15.638 -0.000) 16.513 28.316 ( -2.655 13.635 -0.000) 13.891 47.838 ( -7.248 2.286 -0.000) 7.600 47.987 ( 8.418 7.801 0.000) 11.477 49.111 ( -8.890 1.910 -0.000) 9.093 49.559 ( -0.020 2.958 -0.000) 2.958 49.947 ( 12.784 4.198 0.000) 13.456 50.294 ( -11.242 -11.482 0.000) 16.069 50.985 ( 2.773 0.131 0.000) 2.776 51.128 ( 3.429 -5.088 0.000) 6.136 ======================= Grid point 402 (176/186) ======================= q-point: ( 0.32 0.68 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 3.200 -17.413 0.000) 17.705 3.259 ( 14.950 -5.076 0.000) 15.788 3.935 ( 15.218 -4.673 0.000) 15.919 4.066 ( 9.486 -18.728 0.000) 20.993 5.172 ( 8.727 -7.092 0.000) 11.245 5.232 ( 8.310 -10.072 0.000) 13.058 6.595 ( 1.832 6.604 -0.000) 6.854 6.632 ( -3.430 4.298 -0.000) 5.498 7.170 ( 3.776 -7.268 0.000) 8.190 7.281 ( 3.468 -8.994 0.000) 9.639 9.148 ( -6.358 1.189 -0.000) 6.469 9.149 ( 2.717 3.398 -0.000) 4.351 14.708 ( 34.160 2.265 0.000) 34.235 14.859 ( -4.932 -33.069 0.000) 33.434 15.412 ( -26.987 9.453 -0.000) 28.594 16.904 ( 10.892 -8.235 0.000) 13.655 17.734 ( 34.203 7.872 0.000) 35.098 18.388 ( 11.075 -35.204 0.000) 36.905 21.604 ( -15.062 -21.675 0.000) 26.395 21.754 ( 19.465 14.852 0.000) 24.484 23.774 ( -16.032 16.369 -0.000) 22.913 24.548 ( -10.934 -4.011 -0.000) 11.646 25.494 ( 6.863 7.632 -0.000) 10.264 25.821 ( -6.843 -4.378 -0.000) 8.124 26.477 ( 13.296 14.276 -0.000) 19.509 26.994 ( -1.128 -17.447 0.000) 17.484 28.245 ( -8.271 11.760 -0.000) 14.377 28.427 ( -10.270 8.727 -0.000) 13.477 47.761 ( -6.049 3.247 -0.000) 6.865 48.295 ( 5.706 4.070 0.000) 7.009 49.024 ( -5.809 6.746 -0.000) 8.902 49.555 ( -0.522 -2.373 0.000) 2.429 49.844 ( -10.628 -8.449 -0.000) 13.577 50.253 ( 9.208 3.816 0.000) 9.968 51.037 ( 3.736 -1.346 0.000) 3.971 51.106 ( 3.105 -4.537 0.000) 5.497 ======================= Grid point 404 (177/186) ======================= q-point: ( 0.32 0.68 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 7.357 -1.516 0.000) 7.511 3.423 ( 8.348 -1.424 0.000) 8.469 3.916 ( 12.478 -17.317 0.000) 21.345 4.216 ( 19.123 -2.256 0.000) 19.255 5.321 ( 11.665 -1.942 0.000) 11.826 5.399 ( 20.044 -0.374 0.000) 20.047 6.654 ( -0.411 0.948 -0.000) 1.033 6.849 ( 6.994 7.818 -0.000) 10.490 7.141 ( 0.623 -8.539 0.000) 8.562 7.197 ( 5.710 0.838 0.000) 5.771 8.954 ( -12.162 -1.442 -0.000) 12.248 9.204 ( -1.021 -0.063 -0.000) 1.023 14.060 ( -15.875 -21.308 0.000) 26.572 15.044 ( -0.255 4.816 -0.000) 4.823 15.682 ( 13.200 20.786 -0.000) 24.623 16.962 ( 12.062 -14.332 0.000) 18.732 17.939 ( 10.968 -30.645 0.000) 32.549 18.612 ( 41.220 5.160 0.000) 41.541 20.943 ( -17.017 -9.998 -0.000) 19.737 22.386 ( 23.883 5.445 0.000) 24.495 23.760 ( -18.944 17.767 -0.000) 25.972 24.102 ( -16.848 -7.980 -0.000) 18.642 25.591 ( -11.242 -0.150 -0.000) 11.243 25.885 ( 11.519 8.409 0.000) 14.262 26.564 ( -3.110 -20.273 0.000) 20.510 27.025 ( 15.655 9.936 0.000) 18.542 28.229 ( -11.358 6.239 -0.000) 12.959 28.236 ( -17.037 0.539 -0.000) 17.045 47.722 ( -5.094 4.018 -0.000) 6.488 48.228 ( -2.886 -10.161 0.000) 10.563 49.255 ( 0.546 18.213 -0.000) 18.222 49.453 ( -0.382 -6.632 0.000) 6.643 49.574 ( -7.362 -1.301 -0.000) 7.476 50.482 ( 7.545 2.502 0.000) 7.949 51.041 ( 0.025 -5.247 0.000) 5.247 51.093 ( 5.009 -1.408 0.000) 5.203 ======================= Grid point 447 (178/186) ======================= q-point: (-0.45 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 2.345 -12.616 -10.983) 16.891 2.323 ( -2.452 -19.910 -9.289) 22.106 3.409 ( -0.251 -5.019 -7.179) 8.763 3.798 ( 0.338 -1.334 12.593) 12.668 4.835 ( -0.416 -6.471 6.058) 8.874 4.872 ( 0.295 -9.389 9.194) 13.144 5.786 ( -0.002 -10.486 -40.136) 41.483 7.090 ( 0.648 5.787 12.255) 13.568 7.170 ( -1.301 0.915 5.731) 5.948 7.338 ( 0.725 -5.220 22.965) 23.562 9.121 ( -1.119 1.176 -3.471) 3.832 9.169 ( 1.091 -3.288 -2.189) 4.098 13.690 ( -0.244 0.944 -32.607) 32.622 13.878 ( 0.155 -17.780 -31.260) 35.963 16.602 ( 2.412 13.375 27.731) 30.883 16.910 ( 0.833 -9.873 45.184) 46.257 17.283 ( -8.045 -0.771 4.835) 9.418 17.543 ( 4.846 -21.558 3.638) 22.394 21.108 ( 0.419 9.539 -25.746) 27.460 22.266 ( -0.343 -1.611 27.620) 27.669 24.275 ( 0.320 18.223 -21.210) 27.965 24.518 ( -0.026 1.334 -7.557) 7.674 25.187 ( -0.085 -15.979 -19.788) 25.434 26.147 ( 1.245 5.293 21.303) 21.986 26.440 ( -5.324 4.898 -3.786) 8.165 26.625 ( 3.964 -10.946 -0.367) 11.648 28.637 ( -0.139 5.871 -6.431) 8.709 28.930 ( 0.032 11.215 7.068) 13.256 48.142 ( 4.901 7.941 -3.013) 9.806 48.189 ( -5.432 4.041 -1.877) 7.025 49.405 ( -4.547 4.510 -0.395) 6.416 49.517 ( 4.232 -0.916 -0.089) 4.331 49.726 ( 5.715 1.595 -2.152) 6.312 49.939 ( -4.787 -14.477 0.188) 15.249 50.857 ( -0.047 -0.627 -5.982) 6.015 51.093 ( -0.021 -1.062 5.498) 5.600 ======================= Grid point 458 (179/186) ======================= q-point: (-0.64 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 10.500 -6.651 0.000) 12.429 3.382 ( -5.514 -21.712 0.000) 22.401 3.662 ( -3.886 -4.129 0.000) 5.670 4.206 ( 1.500 -18.952 0.000) 19.011 5.302 ( -0.031 -15.059 0.000) 15.059 5.393 ( 0.268 -21.840 0.000) 21.842 6.615 ( -3.608 -0.927 -0.000) 3.726 6.825 ( -7.925 -1.984 -0.000) 8.169 7.145 ( 6.523 -5.352 0.000) 8.438 7.268 ( 4.724 -5.756 0.000) 7.446 8.934 ( -0.156 11.723 -0.000) 11.724 9.198 ( -0.736 3.672 -0.000) 3.745 13.815 ( -2.219 14.536 -0.000) 14.705 15.169 ( 9.519 -20.041 0.000) 22.187 16.225 ( 30.550 7.596 0.000) 31.480 16.567 ( -24.270 -10.757 -0.000) 26.547 17.404 ( -21.935 -12.280 -0.000) 25.138 18.739 ( 7.489 -39.465 0.000) 40.170 20.874 ( 2.807 18.612 -0.000) 18.823 22.429 ( -1.089 -25.094 0.000) 25.118 23.934 ( -8.921 16.507 -0.000) 18.764 24.115 ( 17.281 16.356 0.000) 23.794 25.597 ( 0.011 6.337 -0.000) 6.337 26.016 ( 4.105 -9.865 0.000) 10.685 26.169 ( -17.428 7.019 -0.000) 18.789 27.193 ( 6.779 -14.737 0.000) 16.222 28.199 ( -3.855 17.558 -0.000) 17.976 28.318 ( 2.368 13.414 -0.000) 13.622 47.832 ( 6.763 6.941 -0.000) 9.691 48.016 ( -10.150 3.735 -0.000) 10.815 49.293 ( -8.875 1.136 -0.000) 8.947 49.560 ( -0.057 3.894 -0.000) 3.894 49.632 ( 17.880 1.831 0.000) 17.974 50.464 ( -4.875 -10.798 0.000) 11.847 50.967 ( -1.413 1.115 -0.000) 1.800 51.085 ( 0.769 -4.732 0.000) 4.794 ======================= Grid point 460 (180/186) ======================= q-point: (-0.64 -0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -3.525 -22.718 0.000) 22.990 2.907 ( 18.554 -8.714 0.000) 20.499 3.691 ( 8.596 -4.225 0.000) 9.578 3.911 ( 5.712 -17.402 0.000) 18.316 5.039 ( 4.379 -12.255 0.000) 13.014 5.082 ( 5.903 -13.977 0.000) 15.173 6.569 ( 0.364 1.041 -0.000) 1.103 6.686 ( -2.088 -2.147 0.000) 2.995 7.118 ( 1.722 -3.712 0.000) 4.092 7.229 ( 2.162 -5.350 0.000) 5.770 9.103 ( 1.409 4.445 -0.000) 4.663 9.228 ( -1.668 0.635 -0.000) 1.784 14.179 ( 17.284 5.477 0.000) 18.131 14.822 ( 7.175 -29.039 0.000) 29.912 15.924 ( -23.362 0.241 -0.000) 23.363 16.766 ( 6.499 -15.367 0.000) 16.685 17.163 ( 18.369 13.925 0.000) 23.050 18.190 ( 8.493 -32.594 0.000) 33.683 21.430 ( 12.514 17.570 -0.000) 21.571 21.867 ( -10.535 -18.387 0.000) 21.191 24.053 ( -11.819 15.776 -0.000) 19.712 24.606 ( 5.543 4.548 0.000) 7.170 25.496 ( -6.678 1.162 -0.000) 6.778 25.884 ( 0.356 -7.390 0.000) 7.399 26.287 ( 4.500 13.225 -0.000) 13.970 26.985 ( 2.339 -15.858 0.000) 16.030 28.410 ( -7.680 14.462 -0.000) 16.375 28.573 ( -3.941 11.221 -0.000) 11.893 47.915 ( -9.004 5.192 -0.000) 10.393 48.156 ( 7.737 8.106 -0.000) 11.206 49.168 ( -8.005 4.356 -0.000) 9.113 49.569 ( -0.814 -1.669 0.000) 1.857 50.010 ( 14.859 1.712 0.000) 14.957 50.052 ( -9.710 -12.083 0.000) 15.501 50.983 ( 1.557 -0.273 0.000) 1.581 51.045 ( 2.560 -3.139 0.000) 4.051 ======================= Grid point 462 (181/186) ======================= q-point: ( 0.36 0.64 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 7.919 -3.702 0.000) 8.741 3.115 ( 20.894 -9.892 0.000) 23.117 3.728 ( 6.234 -12.693 0.000) 14.141 3.853 ( 15.802 -2.840 0.000) 16.055 5.057 ( 13.943 -4.193 0.000) 14.560 5.073 ( 12.300 -5.833 0.000) 13.613 6.638 ( 1.534 -2.472 0.000) 2.910 6.693 ( 7.431 2.973 0.000) 8.004 7.126 ( 1.847 1.687 0.000) 2.502 7.143 ( -0.516 -4.454 0.000) 4.484 9.138 ( -6.009 -1.733 -0.000) 6.254 9.197 ( 1.555 1.816 -0.000) 2.391 14.295 ( -6.582 -21.590 0.000) 22.571 14.659 ( 26.482 -3.017 0.000) 26.653 15.798 ( -14.012 25.655 -0.000) 29.232 16.672 ( 13.950 -14.046 0.000) 19.796 17.736 ( 8.428 -29.186 0.000) 30.378 17.895 ( 30.074 7.557 0.000) 31.009 21.303 ( -17.668 -8.183 -0.000) 19.471 21.974 ( 16.834 6.489 0.000) 18.042 24.099 ( -14.615 15.660 -0.000) 21.421 24.426 ( -14.276 -7.407 -0.000) 16.083 25.666 ( 9.193 8.667 0.000) 12.634 25.738 ( -3.528 -3.812 0.000) 5.194 26.635 ( -3.418 -17.547 0.000) 17.877 26.725 ( 13.483 10.399 0.000) 17.027 28.457 ( -11.106 8.794 -0.000) 14.166 28.545 ( -13.130 2.693 -0.000) 13.403 47.856 ( -8.121 6.046 -0.000) 10.125 48.277 ( -1.405 -5.640 0.000) 5.813 49.257 ( -1.212 15.818 -0.000) 15.865 49.469 ( -1.276 -5.857 0.000) 5.994 49.710 ( -6.244 -4.668 -0.000) 7.796 50.287 ( 11.877 -0.695 0.000) 11.897 51.014 ( 2.823 -0.764 0.000) 2.925 51.025 ( 1.297 -3.427 0.000) 3.664 ======================= Grid point 508 (182/186) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.000 0.000 -11.988) 11.988 2.100 ( 0.000 0.000 -11.988) 11.988 3.361 ( 0.000 0.000 -7.166) 7.166 3.791 ( -0.000 -0.000 14.837) 14.837 4.771 ( -0.000 -0.000 9.335) 9.335 4.771 ( -0.000 -0.000 9.335) 9.335 5.677 ( 0.000 0.000 -45.675) 45.675 7.179 ( -0.000 -0.000 5.860) 5.860 7.179 ( -0.000 -0.000 5.860) 5.860 7.255 ( -0.000 -0.000 30.990) 30.990 9.129 ( 0.000 0.000 -3.190) 3.190 9.129 ( 0.000 0.000 -3.190) 3.190 13.695 ( 0.000 0.000 -31.790) 31.790 13.695 ( 0.000 0.000 -31.790) 31.790 16.805 ( -0.000 -0.000 43.200) 43.200 16.805 ( -0.000 -0.000 43.200) 43.200 17.177 ( 0.000 0.000 -6.884) 6.884 17.359 ( -0.000 -0.000 0.813) 0.813 21.207 ( 0.000 0.000 -21.409) 21.409 22.257 ( -0.000 -0.000 27.158) 27.158 24.529 ( 0.000 0.000 -9.292) 9.292 24.529 ( 0.000 0.000 -9.292) 9.292 24.954 ( 0.000 0.000 -34.077) 34.077 26.223 ( -0.000 -0.000 27.798) 27.798 26.491 ( 0.000 0.000 -4.084) 4.084 26.491 ( 0.000 0.000 -4.084) 4.084 28.697 ( 0.000 0.000 -7.458) 7.458 29.048 ( -0.000 -0.000 9.373) 9.373 48.233 ( 0.000 0.000 -1.944) 1.944 48.233 ( 0.000 0.000 -1.944) 1.944 49.465 ( 0.000 0.000 -1.800) 1.800 49.533 ( -0.000 -0.000 1.542) 1.542 49.741 ( 0.000 0.000 -1.601) 1.601 49.741 ( 0.000 0.000 -1.601) 1.601 50.851 ( 0.000 0.000 -6.136) 6.136 51.082 ( -0.000 -0.000 5.082) 5.082 ======================= Grid point 521 (183/186) ======================= q-point: (-0.59 -0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 11.528 -10.310 0.000) 15.466 2.878 ( -11.705 -25.718 0.000) 28.256 3.602 ( -0.205 -2.919 0.000) 2.926 3.838 ( 1.472 -16.190 0.000) 16.257 5.003 ( -0.901 -14.013 0.000) 14.042 5.015 ( 0.471 -15.650 0.000) 15.657 6.586 ( -1.994 -1.734 -0.000) 2.642 6.715 ( -0.558 -7.352 0.000) 7.373 7.100 ( -0.201 0.126 -0.000) 0.237 7.180 ( 2.825 -3.119 0.000) 4.208 9.102 ( -1.249 5.140 -0.000) 5.290 9.229 ( 1.134 -0.581 0.000) 1.274 14.036 ( -3.256 6.728 -0.000) 7.475 14.675 ( 5.037 -25.536 0.000) 26.028 16.345 ( -18.495 -9.013 -0.000) 20.574 16.358 ( 28.144 3.022 0.000) 28.306 17.239 ( -18.798 -3.025 -0.000) 19.040 18.038 ( 6.924 -30.106 0.000) 30.892 21.262 ( 3.662 18.722 -0.000) 19.077 22.008 ( -2.980 -16.272 0.000) 16.543 24.261 ( -9.042 15.303 -0.000) 17.774 24.396 ( 13.480 11.311 0.000) 17.597 25.648 ( -6.076 -0.050 -0.000) 6.076 25.818 ( 5.871 -9.184 0.000) 10.900 26.339 ( -9.925 8.634 -0.000) 13.155 26.896 ( 6.486 -14.303 0.000) 15.705 28.532 ( -3.825 14.855 -0.000) 15.339 28.581 ( 3.087 12.142 -0.000) 12.529 47.997 ( 7.726 9.100 -0.000) 11.937 48.110 ( -9.834 5.274 -0.000) 11.159 49.330 ( -7.729 2.678 -0.000) 8.180 49.556 ( 6.645 -1.872 0.000) 6.904 49.706 ( 9.839 3.323 0.000) 10.385 50.218 ( -6.210 -13.491 0.000) 14.852 50.978 ( -1.090 0.075 -0.000) 1.092 51.012 ( 0.704 -2.494 0.000) 2.591 ======================= Grid point 523 (184/186) ======================= q-point: ( 0.41 0.59 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 3.400 -10.044 0.000) 10.604 2.671 ( 20.978 -14.053 0.000) 25.250 3.616 ( 7.319 -2.546 0.000) 7.750 3.638 ( 3.087 -8.802 0.000) 9.328 4.837 ( 7.639 -7.335 0.000) 10.591 4.857 ( 8.331 -8.231 0.000) 11.712 6.580 ( 3.452 0.314 0.000) 3.466 6.607 ( 1.291 -4.061 0.000) 4.262 7.107 ( 0.269 1.257 -0.000) 1.286 7.149 ( 0.129 -2.724 0.000) 2.727 9.160 ( 1.510 1.787 -0.000) 2.339 9.203 ( -0.776 -2.508 0.000) 2.626 14.217 ( 15.255 -0.104 0.000) 15.256 14.317 ( 3.271 -19.432 0.000) 19.705 16.061 ( -11.422 12.669 -0.000) 17.057 16.488 ( 4.670 -12.110 0.000) 12.979 17.394 ( 18.682 8.853 0.000) 20.674 17.609 ( 4.492 -24.564 0.000) 24.971 21.616 ( -12.501 -6.695 -0.000) 14.181 21.707 ( 9.745 9.076 0.000) 13.317 24.349 ( -10.293 13.172 -0.000) 16.717 24.619 ( -3.549 -2.705 -0.000) 4.462 25.562 ( 0.225 4.963 -0.000) 4.968 25.748 ( 2.146 -6.099 0.000) 6.465 26.510 ( 6.963 8.866 -0.000) 11.273 26.678 ( -0.463 -13.684 0.000) 13.692 28.660 ( -8.435 9.786 -0.000) 12.920 28.744 ( -6.188 5.281 -0.000) 8.135 48.038 ( -9.482 6.775 -0.000) 11.653 48.265 ( 2.761 1.614 0.000) 3.198 49.312 ( -4.116 10.222 -0.000) 11.019 49.506 ( -2.308 -4.226 0.000) 4.815 49.830 ( -5.718 -9.196 0.000) 10.829 50.008 ( 15.321 -1.937 0.000) 15.443 50.977 ( 0.902 -0.181 0.000) 0.919 50.997 ( 1.252 -1.719 0.000) 2.127 ======================= Grid point 583 (185/186) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 8.505 -11.075 0.000) 13.964 2.419 ( -8.599 -17.969 0.000) 19.921 3.550 ( -0.436 -1.864 0.000) 1.914 3.599 ( 0.715 -7.192 0.000) 7.227 4.764 ( -0.606 -8.977 0.000) 8.997 4.764 ( 0.472 -9.061 0.000) 9.073 6.555 ( -0.837 -1.147 0.000) 1.420 6.588 ( 0.612 -4.484 0.000) 4.525 7.113 ( -0.956 0.725 -0.000) 1.200 7.135 ( 1.206 -1.416 0.000) 1.860 9.157 ( -1.360 0.883 -0.000) 1.622 9.191 ( 1.364 -2.410 0.000) 2.769 14.087 ( -2.682 -0.631 -0.000) 2.755 14.238 ( 2.952 -16.145 0.000) 16.412 16.270 ( -9.995 1.406 -0.000) 10.093 16.346 ( 12.346 -2.516 0.000) 12.600 17.259 ( -7.352 3.108 -0.000) 7.982 17.526 ( 4.661 -20.159 0.000) 20.690 21.581 ( 2.647 11.787 -0.000) 12.081 21.774 ( -2.551 -7.205 0.000) 7.643 24.520 ( -6.800 9.623 -0.000) 11.783 24.566 ( 7.736 5.512 0.000) 9.499 25.632 ( -5.468 -0.989 -0.000) 5.556 25.670 ( 5.114 -5.026 0.000) 7.170 26.482 ( -4.628 5.062 -0.000) 6.859 26.642 ( 4.169 -9.994 0.000) 10.829 28.774 ( -2.364 8.614 -0.000) 8.932 28.784 ( 2.243 7.480 -0.000) 7.809 48.172 ( 6.091 7.341 -0.000) 9.539 48.209 ( -6.577 4.049 -0.000) 7.723 49.409 ( -5.140 5.291 -0.000) 7.376 49.518 ( 5.145 -1.611 0.000) 5.392 49.748 ( 5.306 1.070 0.000) 5.412 49.938 ( -4.745 -13.450 0.000) 14.263 50.975 ( -0.543 -0.247 -0.000) 0.597 50.980 ( 0.473 -0.884 0.000) 1.002 ======================= Grid point 646 (186/186) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 0.000 -0.000) 0.000 2.226 ( 0.000 0.000 -0.000) 0.000 3.532 ( 0.000 0.000 -10.591) 10.591 3.532 ( -0.000 -0.000 10.591) 10.591 4.669 ( 0.000 0.000 -0.000) 0.000 4.669 ( 0.000 0.000 -0.000) 0.000 6.544 ( 0.000 0.000 -39.667) 39.667 6.544 ( -0.000 -0.000 39.667) 39.667 7.121 ( 0.000 0.000 -0.000) 0.000 7.121 ( 0.000 0.000 -0.000) 0.000 9.162 ( 0.000 0.000 -0.000) 0.000 9.162 ( 0.000 0.000 -0.000) 0.000 14.070 ( 0.000 0.000 -0.000) 0.000 14.070 ( 0.000 0.000 -0.000) 0.000 16.314 ( 0.000 0.000 -0.000) 0.000 16.314 ( 0.000 0.000 -0.000) 0.000 17.299 ( 0.000 0.000 -4.869) 4.869 17.299 ( -0.000 -0.000 4.869) 4.869 21.704 ( 0.000 0.000 -27.041) 27.041 21.704 ( -0.000 -0.000 27.041) 27.041 24.621 ( 0.000 0.000 -0.000) 0.000 24.621 ( 0.000 0.000 -0.000) 0.000 25.621 ( 0.000 0.000 -31.852) 31.852 25.621 ( -0.000 -0.000 31.852) 31.852 26.534 ( 0.000 0.000 -0.000) 0.000 26.534 ( 0.000 0.000 -0.000) 0.000 28.863 ( 0.000 0.000 -8.900) 8.900 28.863 ( -0.000 -0.000 8.900) 8.900 48.253 ( 0.000 0.000 -0.000) 0.000 48.253 ( 0.000 0.000 -0.000) 0.000 49.500 ( 0.000 0.000 -1.688) 1.688 49.500 ( -0.000 -0.000 1.688) 1.688 49.758 ( 0.000 0.000 -0.000) 0.000 49.758 ( 0.000 0.000 -0.000) 0.000 50.971 ( 0.000 0.000 -5.813) 5.813 50.971 ( -0.000 -0.000 5.813) 5.813 =================== 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 3/43560 10.0 1953.005 1953.005 4497.050 -0.000 -0.000 0.000 3/43560 20.0 402.043 402.043 288.570 -0.000 -0.000 0.000 3/43560 30.0 108.004 108.004 62.089 -0.000 -0.000 0.000 3/43560 40.0 47.726 47.726 24.950 -0.000 -0.000 0.000 3/43560 50.0 27.180 27.180 13.567 -0.000 -0.000 0.000 3/43560 60.0 18.091 18.091 8.792 -0.000 -0.000 0.000 3/43560 70.0 13.345 13.345 6.369 -0.000 -0.000 0.000 3/43560 80.0 10.548 10.548 4.972 -0.000 -0.000 0.000 3/43560 90.0 8.739 8.739 4.090 -0.000 -0.000 0.000 3/43560 100.0 7.486 7.486 3.495 -0.000 -0.000 0.000 3/43560 110.0 6.570 6.570 3.073 -0.000 -0.000 0.000 3/43560 120.0 5.870 5.870 2.761 -0.000 -0.000 0.000 3/43560 130.0 5.319 5.319 2.523 -0.000 -0.000 0.000 3/43560 140.0 4.873 4.873 2.337 -0.000 -0.000 0.000 3/43560 150.0 4.503 4.503 2.186 -0.000 -0.000 0.000 3/43560 160.0 4.191 4.191 2.063 -0.000 -0.000 0.000 3/43560 170.0 3.924 3.924 1.959 -0.000 -0.000 0.000 3/43560 180.0 3.691 3.691 1.870 -0.000 -0.000 0.000 3/43560 190.0 3.488 3.488 1.793 -0.000 -0.000 0.000 3/43560 200.0 3.307 3.307 1.724 -0.000 -0.000 0.000 3/43560 210.0 3.146 3.146 1.663 -0.000 -0.000 0.000 3/43560 220.0 3.000 3.000 1.607 -0.000 -0.000 0.000 3/43560 230.0 2.869 2.869 1.557 -0.000 -0.000 0.000 3/43560 240.0 2.749 2.749 1.510 -0.000 -0.000 0.000 3/43560 250.0 2.639 2.639 1.466 -0.000 -0.000 0.000 3/43560 260.0 2.538 2.538 1.425 -0.000 -0.000 0.000 3/43560 270.0 2.445 2.445 1.386 -0.000 -0.000 0.000 3/43560 280.0 2.358 2.358 1.350 -0.000 -0.000 0.000 3/43560 290.0 2.278 2.278 1.316 -0.000 -0.000 0.000 3/43560 300.0 2.203 2.203 1.283 -0.000 -0.000 0.000 3/43560 310.0 2.133 2.133 1.252 -0.000 -0.000 0.000 3/43560 320.0 2.067 2.067 1.222 -0.000 -0.000 0.000 3/43560 330.0 2.006 2.006 1.194 -0.000 -0.000 0.000 3/43560 340.0 1.948 1.948 1.166 -0.000 -0.000 0.000 3/43560 350.0 1.893 1.893 1.140 -0.000 -0.000 0.000 3/43560 360.0 1.841 1.841 1.115 -0.000 -0.000 0.000 3/43560 370.0 1.793 1.793 1.091 -0.000 -0.000 0.000 3/43560 380.0 1.746 1.746 1.068 -0.000 -0.000 0.000 3/43560 390.0 1.702 1.702 1.046 -0.000 -0.000 0.000 3/43560 400.0 1.660 1.660 1.024 -0.000 -0.000 0.000 3/43560 410.0 1.620 1.620 1.004 -0.000 -0.000 0.000 3/43560 420.0 1.583 1.583 0.984 -0.000 -0.000 0.000 3/43560 430.0 1.546 1.546 0.965 -0.000 -0.000 0.000 3/43560 440.0 1.512 1.512 0.946 -0.000 -0.000 0.000 3/43560 450.0 1.479 1.479 0.928 -0.000 -0.000 0.000 3/43560 460.0 1.447 1.447 0.911 -0.000 -0.000 0.000 3/43560 470.0 1.417 1.417 0.894 -0.000 -0.000 0.000 3/43560 480.0 1.388 1.388 0.878 -0.000 -0.000 0.000 3/43560 490.0 1.360 1.360 0.862 -0.000 -0.000 0.000 3/43560 500.0 1.333 1.333 0.847 -0.000 -0.000 0.000 3/43560 510.0 1.307 1.307 0.832 -0.000 -0.000 0.000 3/43560 520.0 1.282 1.282 0.818 -0.000 -0.000 0.000 3/43560 530.0 1.258 1.258 0.805 -0.000 -0.000 0.000 3/43560 540.0 1.235 1.235 0.791 -0.000 -0.000 0.000 3/43560 550.0 1.213 1.213 0.778 -0.000 -0.000 0.000 3/43560 560.0 1.192 1.192 0.766 -0.000 -0.000 0.000 3/43560 570.0 1.171 1.171 0.754 -0.000 -0.000 0.000 3/43560 580.0 1.151 1.151 0.742 -0.000 -0.000 0.000 3/43560 590.0 1.132 1.132 0.730 -0.000 -0.000 0.000 3/43560 600.0 1.113 1.113 0.719 -0.000 -0.000 0.000 3/43560 610.0 1.095 1.095 0.709 -0.000 -0.000 0.000 3/43560 620.0 1.078 1.078 0.698 -0.000 -0.000 0.000 3/43560 630.0 1.061 1.061 0.688 -0.000 -0.000 0.000 3/43560 640.0 1.044 1.044 0.678 -0.000 -0.000 0.000 3/43560 650.0 1.028 1.028 0.668 -0.000 -0.000 0.000 3/43560 660.0 1.013 1.013 0.659 -0.000 -0.000 0.000 3/43560 670.0 0.998 0.998 0.650 -0.000 -0.000 0.000 3/43560 680.0 0.984 0.984 0.641 -0.000 -0.000 0.000 3/43560 690.0 0.969 0.969 0.632 -0.000 -0.000 0.000 3/43560 700.0 0.956 0.956 0.624 -0.000 -0.000 0.000 3/43560 710.0 0.942 0.942 0.615 -0.000 -0.000 0.000 3/43560 720.0 0.929 0.929 0.607 -0.000 -0.000 0.000 3/43560 730.0 0.917 0.917 0.600 -0.000 -0.000 0.000 3/43560 740.0 0.905 0.905 0.592 -0.000 -0.000 0.000 3/43560 750.0 0.893 0.893 0.584 -0.000 -0.000 0.000 3/43560 760.0 0.881 0.881 0.577 -0.000 -0.000 0.000 3/43560 770.0 0.870 0.870 0.570 -0.000 -0.000 0.000 3/43560 780.0 0.859 0.859 0.563 -0.000 -0.000 0.000 3/43560 790.0 0.848 0.848 0.556 -0.000 -0.000 0.000 3/43560 800.0 0.837 0.837 0.550 -0.000 -0.000 0.000 3/43560 810.0 0.827 0.827 0.543 -0.000 -0.000 0.000 3/43560 820.0 0.817 0.817 0.537 -0.000 -0.000 0.000 3/43560 830.0 0.807 0.807 0.531 -0.000 -0.000 0.000 3/43560 840.0 0.798 0.798 0.525 -0.000 -0.000 0.000 3/43560 850.0 0.788 0.788 0.519 -0.000 -0.000 0.000 3/43560 860.0 0.779 0.779 0.513 -0.000 -0.000 0.000 3/43560 870.0 0.771 0.771 0.508 -0.000 -0.000 0.000 3/43560 880.0 0.762 0.762 0.502 -0.000 -0.000 0.000 3/43560 890.0 0.753 0.753 0.497 -0.000 -0.000 0.000 3/43560 900.0 0.745 0.745 0.491 -0.000 -0.000 0.000 3/43560 910.0 0.737 0.737 0.486 -0.000 -0.000 0.000 3/43560 920.0 0.729 0.729 0.481 -0.000 -0.000 0.000 3/43560 930.0 0.721 0.721 0.476 -0.000 -0.000 0.000 3/43560 940.0 0.714 0.714 0.471 -0.000 -0.000 0.000 3/43560 950.0 0.706 0.706 0.466 -0.000 -0.000 0.000 3/43560 960.0 0.699 0.699 0.462 -0.000 -0.000 0.000 3/43560 970.0 0.692 0.692 0.457 -0.000 -0.000 0.000 3/43560 980.0 0.685 0.685 0.453 -0.000 -0.000 0.000 3/43560 990.0 0.678 0.678 0.448 -0.000 -0.000 0.000 3/43560 1000.0 0.671 0.671 0.444 -0.000 -0.000 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:39:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|