----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:36:48]------------------------- 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: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.575234996664122 0.909462349360948 5.408570673333328 b -1.575234996664119 0.909462349360948 5.408570673333328 c 0.000000000000002 -1.818924698721900 5.408570673333328 Atomic positions (fractional): *1 O 0.26540373049641 0.26540373049641 0.26540373049641 15.999 2 O 0.73459626950359 0.73459626950359 0.73459626950359 15.999 *3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *4 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.150469993328241 0.000000000000000 0.000000000000000 b -1.575234996664121 2.728387048082848 0.000000000000000 c 0.000000000000000 0.000000000000000 16.225712020000000 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.93207039716307 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.73459626950359 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.26540373049641 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.06792960283693 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.59873706382974 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.40126293617026 15.999 > 2 *7 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 3 8 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 3 9 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 *10 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 4 11 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 4 12 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.451409979984724 0.000000000000000 0.000000000000000 b -4.725704989992363 8.185161144248545 0.000000000000000 c 0.000000000000000 0.000000000000000 16.225712020000000 Atomic positions (fractional): *1 O 0.11111111111111 0.22222222222222 0.93207039716307 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93207039716307 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93207039716307 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93207039716307 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93207039716307 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93207039716307 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93207039716307 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93207039716307 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93207039716307 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73459626950359 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.73459626950359 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.73459626950359 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.73459626950359 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.73459626950359 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.73459626950359 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.73459626950359 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.73459626950359 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.73459626950359 15.999 > 2 19 O 0.00000000000000 0.00000000000000 0.26540373049641 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26540373049641 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26540373049641 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26540373049641 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26540373049641 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26540373049641 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26540373049641 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26540373049641 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26540373049641 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06792960283693 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.06792960283693 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.06792960283693 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.06792960283693 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.06792960283693 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.06792960283693 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.06792960283693 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.06792960283693 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.06792960283693 15.999 > 2 37 O 0.22222222222222 0.11111111111111 0.59873706382974 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59873706382974 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59873706382974 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59873706382974 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59873706382974 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59873706382974 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59873706382974 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59873706382974 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59873706382974 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40126293617026 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.40126293617026 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.40126293617026 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.40126293617026 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.40126293617026 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.40126293617026 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.40126293617026 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.40126293617026 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.40126293617026 15.999 > 2 *55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 3 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 3 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 3 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 3 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 3 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 3 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 3 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 3 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 3 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 3 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 3 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 3 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 3 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 3 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 3 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 3 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 3 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 3 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 3 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 3 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 3 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 3 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 3 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 3 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 3 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 3 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 3 *82 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 4 83 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 4 84 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 4 85 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 4 86 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 4 87 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 4 88 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 4 89 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 4 90 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 4 91 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 4 92 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 4 93 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 4 94 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 4 95 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 4 96 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 4 97 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 4 98 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 4 99 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 4 100 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 4 101 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 4 102 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 4 103 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 4 104 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 4 105 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 4 106 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 4 107 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 4 108 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2293571 -0.0000000 0.0000000 0.0000000 4.2293571 0.0000000 0.0000000 0.0000000 3.1369336 -------------------------- Born effective charges -------------------------- 1 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 2 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 3 Na 0.9637002 -0.0000000 0.0000000 0.0000000 0.9637002 0.0000000 0.0000000 0.0000000 1.4004772 4 Sc 4.2516442 -0.0000000 0.0000000 0.0000000 4.2516442 0.0000000 0.0000000 0.0000000 1.9969571 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.116 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), 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 2026-01-07 22:36:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:52]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.575234996664122 0.909462349360948 5.408570673333328 b -1.575234996664119 0.909462349360948 5.408570673333328 c 0.000000000000002 -1.818924698721900 5.408570673333328 Atomic positions (fractional): 1 O 0.26540373049641 0.26540373049641 0.26540373049641 15.999 2 O 0.73459626950359 0.73459626950359 0.73459626950359 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.451409979984724 0.000000000000000 0.000000000000000 b -4.725704989992363 8.185161144248545 0.000000000000000 c 0.000000000000000 0.000000000000000 16.225712020000000 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.93207039716307 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93207039716307 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93207039716307 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93207039716307 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93207039716307 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93207039716307 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93207039716307 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93207039716307 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93207039716307 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73459626950359 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.73459626950359 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.73459626950359 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.73459626950359 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.73459626950359 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.73459626950359 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.73459626950359 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.73459626950359 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.73459626950359 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.26540373049641 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26540373049641 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26540373049641 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26540373049641 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26540373049641 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26540373049641 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26540373049641 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26540373049641 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26540373049641 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06792960283693 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.06792960283693 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.06792960283693 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.06792960283693 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.06792960283693 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.06792960283693 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.06792960283693 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.06792960283693 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.06792960283693 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.59873706382974 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59873706382974 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59873706382974 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59873706382974 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59873706382974 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59873706382974 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59873706382974 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59873706382974 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59873706382974 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40126293617026 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.40126293617026 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.40126293617026 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.40126293617026 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.40126293617026 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.40126293617026 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.40126293617026 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.40126293617026 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.40126293617026 15.999 > 10 55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 82 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 82 83 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 82 84 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 82 85 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 82 86 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 82 87 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 82 88 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 82 89 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 82 90 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 82 91 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 82 92 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 82 93 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 82 94 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 82 95 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 82 96 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 82 97 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 82 98 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 82 99 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 82 100 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 82 101 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 82 102 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 82 103 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 82 104 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 82 105 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 82 106 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 82 107 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 82 108 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2293571 -0.0000000 0.0000000 0.0000000 4.2293571 0.0000000 0.0000000 0.0000000 3.1369336 -------------------------- Born effective charges -------------------------- 1 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 2 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 3 Na 0.9637002 -0.0000000 0.0000000 0.0000000 0.9637002 0.0000000 0.0000000 0.0000000 1.4004772 4 Sc 4.2516442 -0.0000000 0.0000000 0.0000000 4.2516442 0.0000000 0.0000000 0.0000000 1.9969571 ---------------------------------------------------------------------------- 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[ 55, 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[ 82, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:36:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:57]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.575234996664122 0.909462349360948 5.408570673333328 b -1.575234996664119 0.909462349360948 5.408570673333328 c 0.000000000000002 -1.818924698721900 5.408570673333328 Atomic positions (fractional): 1 O 0.26540373049641 0.26540373049641 0.26540373049641 15.999 2 O 0.73459626950359 0.73459626950359 0.73459626950359 15.999 3 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 4 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.451409979984724 0.000000000000000 0.000000000000000 b -4.725704989992363 8.185161144248545 0.000000000000000 c 0.000000000000000 0.000000000000000 16.225712020000000 Atomic positions (fractional): 1 O 0.11111111111111 0.22222222222222 0.93207039716307 15.999 > 1 2 O 0.44444444444444 0.22222222222222 0.93207039716307 15.999 > 1 3 O 0.77777777777778 0.22222222222222 0.93207039716307 15.999 > 1 4 O 0.11111111111111 0.55555555555556 0.93207039716307 15.999 > 1 5 O 0.44444444444444 0.55555555555556 0.93207039716307 15.999 > 1 6 O 0.77777777777778 0.55555555555556 0.93207039716307 15.999 > 1 7 O 0.11111111111111 0.88888888888889 0.93207039716307 15.999 > 1 8 O 0.44444444444444 0.88888888888889 0.93207039716307 15.999 > 1 9 O 0.77777777777778 0.88888888888889 0.93207039716307 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.73459626950359 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.73459626950359 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.73459626950359 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.73459626950359 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.73459626950359 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.73459626950359 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.73459626950359 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.73459626950359 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.73459626950359 15.999 > 10 19 O 0.00000000000000 0.00000000000000 0.26540373049641 15.999 > 1 20 O 0.33333333333333 0.00000000000000 0.26540373049641 15.999 > 1 21 O 0.66666666666667 0.00000000000000 0.26540373049641 15.999 > 1 22 O 0.00000000000000 0.33333333333333 0.26540373049641 15.999 > 1 23 O 0.33333333333333 0.33333333333333 0.26540373049641 15.999 > 1 24 O 0.66666666666667 0.33333333333333 0.26540373049641 15.999 > 1 25 O 0.00000000000000 0.66666666666667 0.26540373049641 15.999 > 1 26 O 0.33333333333333 0.66666666666667 0.26540373049641 15.999 > 1 27 O 0.66666666666667 0.66666666666667 0.26540373049641 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.06792960283693 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.06792960283693 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.06792960283693 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.06792960283693 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.06792960283693 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.06792960283693 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.06792960283693 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.06792960283693 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.06792960283693 15.999 > 10 37 O 0.22222222222222 0.11111111111111 0.59873706382974 15.999 > 1 38 O 0.55555555555556 0.11111111111111 0.59873706382974 15.999 > 1 39 O 0.88888888888889 0.11111111111111 0.59873706382974 15.999 > 1 40 O 0.22222222222222 0.44444444444444 0.59873706382974 15.999 > 1 41 O 0.55555555555556 0.44444444444444 0.59873706382974 15.999 > 1 42 O 0.88888888888889 0.44444444444444 0.59873706382974 15.999 > 1 43 O 0.22222222222222 0.77777777777778 0.59873706382974 15.999 > 1 44 O 0.55555555555556 0.77777777777778 0.59873706382974 15.999 > 1 45 O 0.88888888888889 0.77777777777778 0.59873706382974 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.40126293617026 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.40126293617026 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.40126293617026 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.40126293617026 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.40126293617026 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.40126293617026 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.40126293617026 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.40126293617026 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.40126293617026 15.999 > 10 55 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 55 56 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 55 57 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 55 58 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 55 59 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 55 60 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 55 61 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 55 62 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 55 63 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 55 64 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 55 65 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 55 66 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 55 67 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 55 68 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 55 69 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 55 70 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 55 71 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 55 72 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 55 73 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 55 74 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 55 75 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 55 76 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 55 77 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 55 78 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 55 79 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 55 80 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 55 81 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 55 82 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 82 83 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 82 84 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 82 85 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 82 86 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 82 87 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 82 88 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 82 89 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 82 90 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 82 91 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 82 92 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 82 93 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 82 94 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 82 95 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 82 96 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 82 97 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 82 98 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 82 99 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 82 100 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 82 101 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 82 102 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 82 103 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 82 104 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 82 105 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 82 106 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 82 107 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 82 108 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2293571 -0.0000000 0.0000000 0.0000000 4.2293571 0.0000000 0.0000000 0.0000000 3.1369336 -------------------------- Born effective charges -------------------------- 1 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 2 O -2.6076722 0.0000000 0.0000000 0.0000000 -2.6076722 0.0000000 0.0000000 0.0000000 -1.6987171 3 Na 0.9637002 -0.0000000 0.0000000 0.0000000 0.9637002 0.0000000 0.0000000 0.0000000 1.4004772 4 Sc 4.2516442 -0.0000000 0.0000000 0.0000000 4.2516442 0.0000000 0.0000000 0.0000000 1.9969571 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 19 19 19 ] 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: 1.15, Number of G-points: 313, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/670) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 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 4.984 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 8.194 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/670) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 33.990 19.624 15.610) 42.238 0.929 ( 40.317 23.277 8.605) 47.343 1.667 ( 73.283 42.310 2.478) 84.656 5.008 ( 2.326 1.343 -1.132) 2.915 5.121 ( 12.296 7.099 -0.472) 14.206 8.189 ( -0.999 -0.577 1.552) 1.933 8.885 ( 2.378 1.373 1.034) 2.934 11.464 ( -1.660 -0.958 -0.363) 1.950 11.503 ( 1.636 0.944 -0.125) 1.893 14.576 ( -0.863 -0.498 -36.411) 36.425 15.754 ( -6.484 -3.743 4.813) 8.900 19.145 ( -0.921 -0.532 -19.543) 19.572 ======================= Grid point 2 (3/670) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 35.038 20.229 13.608) 42.685 1.847 ( 39.552 22.835 8.187) 46.398 3.246 ( 66.585 38.443 2.747) 76.935 5.079 ( 4.566 2.636 -2.195) 5.711 5.528 ( 24.707 14.265 -1.052) 28.549 8.164 ( -1.421 -0.821 -0.123) 1.646 8.970 ( 4.817 2.781 1.869) 5.868 11.411 ( -2.793 -1.613 -0.705) 3.301 11.539 ( 1.075 0.621 0.064) 1.243 14.385 ( -7.603 -4.390 -19.731) 21.596 15.568 ( -12.017 -6.938 8.934) 16.503 19.015 ( -5.845 -3.375 -15.189) 16.621 ======================= Grid point 3 (4/670) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 35.641 20.577 11.090) 42.622 2.734 ( 37.462 21.629 7.540) 43.909 4.587 ( 51.473 29.718 3.252) 59.525 5.197 ( 6.790 3.920 -3.112) 8.435 6.237 ( 39.968 23.076 -1.848) 46.188 8.127 ( -1.720 -0.993 -1.011) 2.229 9.111 ( 7.219 4.168 2.383) 8.669 11.342 ( -3.016 -1.741 -1.003) 3.624 11.528 ( -2.642 -1.525 0.282) 3.063 14.131 ( -9.920 -5.728 -13.159) 17.447 15.287 ( -16.066 -9.276 12.121) 22.160 18.784 ( -10.299 -5.946 -16.077) 19.997 ======================= Grid point 4 (5/670) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 34.936 20.170 8.621) 41.251 3.547 ( 32.941 19.018 6.637) 38.612 5.365 ( 9.406 5.431 -3.736) 11.486 5.541 ( 34.251 19.775 3.325) 39.689 7.270 ( 51.143 29.527 -3.211) 59.142 8.083 ( -1.790 -1.033 -0.898) 2.253 9.304 ( 9.291 5.364 2.573) 11.033 11.278 ( -2.227 -1.286 -1.241) 2.855 11.416 ( -7.196 -4.154 0.757) 8.343 13.873 ( -9.922 -5.728 -9.281) 14.744 14.943 ( -18.426 -10.638 14.431) 25.709 18.456 ( -14.026 -8.098 -17.452) 23.809 ======================= Grid point 5 (6/670) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 32.557 18.797 6.551) 38.160 4.218 ( 25.039 14.456 5.249) 29.385 5.600 ( 12.944 7.473 -3.713) 15.401 6.198 ( 24.923 14.389 2.932) 28.927 8.006 ( -0.679 -0.392 -8.022) 8.061 8.402 ( 44.614 25.758 2.059) 51.556 9.536 ( 10.648 6.148 2.546) 12.556 11.240 ( -0.722 -0.417 -1.413) 1.641 11.258 ( -5.782 -3.338 3.270) 7.434 13.623 ( -10.241 -5.913 -8.145) 14.359 14.572 ( -18.988 -10.963 15.276) 26.722 18.059 ( -16.250 -9.382 -17.462) 25.632 ======================= Grid point 6 (7/670) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( 15.470 8.932 3.252) 18.157 4.751 ( 28.703 16.572 5.157) 33.542 5.914 ( 15.808 9.127 -2.793) 18.466 6.694 ( 19.096 11.025 2.020) 22.142 7.910 ( -5.506 -3.179 -6.274) 8.932 9.231 ( 27.177 15.691 -2.719) 31.499 9.787 ( 10.910 6.299 2.408) 12.826 11.237 ( 0.840 0.485 -1.511) 1.795 11.284 ( 8.378 4.837 8.870) 13.125 13.357 ( -11.202 -6.467 -8.328) 15.384 14.208 ( -17.426 -10.061 12.505) 23.691 17.636 ( -16.649 -9.613 -15.122) 24.460 ======================= Grid point 7 (8/670) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.949 ( 8.412 4.857 1.498) 9.829 5.355 ( 24.138 13.936 4.622) 28.253 6.254 ( 14.508 8.376 -1.697) 16.838 7.064 ( 13.785 7.959 -0.366) 15.921 7.709 ( -10.871 -6.276 -5.320) 13.633 9.616 ( 11.085 6.400 -3.342) 13.229 10.027 ( 9.723 5.614 2.137) 11.429 11.263 ( 1.728 0.997 -1.465) 2.475 11.655 ( 18.021 10.404 13.153) 24.617 13.083 ( -10.793 -6.231 -6.357) 13.990 13.901 ( -11.605 -6.700 4.434) 14.115 17.233 ( -15.401 -8.892 -10.739) 20.774 ======================= Grid point 8 (9/670) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( 4.204 2.427 0.544) 4.885 5.857 ( 19.564 11.295 4.745) 23.084 6.522 ( 9.615 5.551 -0.926) 11.141 7.264 ( 1.040 0.600 -11.750) 11.812 7.446 ( -7.218 -4.167 5.550) 10.013 9.807 ( 7.748 4.473 -2.246) 9.224 10.221 ( 6.850 3.955 1.567) 8.064 11.297 ( 1.585 0.915 -1.136) 2.155 12.007 ( 8.015 4.627 11.705) 14.922 12.851 ( -8.739 -5.045 -1.244) 10.167 13.769 ( 0.156 0.090 -3.973) 3.978 16.895 ( -12.063 -6.965 -5.803) 15.090 ======================= Grid point 9 (10/670) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( 1.291 0.745 0.126) 1.496 6.234 ( 11.263 6.503 3.536) 13.477 6.666 ( 3.305 1.908 -0.303) 3.829 7.030 ( -9.564 -5.522 -6.411) 12.770 7.484 ( 2.124 1.226 2.270) 3.342 9.937 ( 3.601 2.079 -0.878) 4.250 10.331 ( 2.489 1.437 0.591) 2.934 11.320 ( 0.624 0.360 -0.441) 0.845 12.106 ( 0.359 0.207 4.268) 4.288 12.702 ( -3.904 -2.254 0.592) 4.547 13.826 ( 3.399 1.962 -2.815) 4.829 16.686 ( -4.930 -2.847 -1.704) 5.943 ======================= Grid point 20 (11/670) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 35.903 25.066) 43.788 0.917 ( -0.000 45.313 6.242) 45.741 1.720 ( 0.000 83.434 13.007) 84.442 5.007 ( -0.000 2.842 -1.273) 3.114 5.113 ( -0.000 14.004 -1.999) 14.146 8.189 ( 0.000 -2.411 1.594) 2.890 8.874 ( -0.000 2.247 -1.136) 2.518 11.468 ( 0.000 -1.721 0.470) 1.784 11.501 ( -0.000 1.775 -0.657) 1.893 14.387 ( -0.000 13.792 -69.929) 71.276 15.774 ( 0.000 -7.143 7.245) 10.174 19.081 ( -0.000 6.192 -29.014) 29.667 ======================= Grid point 21 (12/670) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 19.497 31.256 21.248) 42.528 1.631 ( 25.834 38.829 8.021) 47.323 2.881 ( 37.185 69.302 9.462) 79.215 5.055 ( 2.143 4.673 -2.405) 5.676 5.377 ( 12.466 20.465 -2.587) 24.103 8.163 ( -0.490 -2.139 -0.876) 2.363 8.934 ( 3.717 3.447 -0.116) 5.071 11.433 ( -1.825 -1.970 0.036) 2.686 11.526 ( 1.015 1.041 -0.633) 1.586 14.298 ( 1.027 -2.434 -39.244) 39.333 15.668 ( -5.953 -10.531 10.988) 16.342 19.009 ( -3.367 -0.634 -19.451) 19.751 ======================= Grid point 22 (13/670) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 26.887 26.917 16.648) 41.529 2.484 ( 29.502 35.143 8.038) 46.583 4.180 ( 42.244 50.525 7.293) 66.261 5.154 ( 4.105 7.158 -3.547) 8.982 5.919 ( 26.410 28.096 -3.224) 38.695 8.127 ( -0.793 -2.102 -1.842) 2.905 9.058 ( 5.820 5.337 1.075) 7.970 11.376 ( -2.812 -1.403 -0.575) 3.195 11.530 ( -0.306 -2.018 -0.391) 2.078 14.118 ( -3.545 -7.758 -24.311) 25.764 15.451 ( -11.020 -13.042 14.292) 22.266 18.826 ( -8.141 -4.897 -17.665) 20.058 ======================= Grid point 23 (14/670) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 30.035 23.314 12.490) 40.020 3.321 ( 28.028 32.270 7.187) 43.343 5.218 ( 29.733 27.889 4.114) 40.972 5.318 ( 8.811 13.814 -2.470) 16.570 6.795 ( 41.412 36.373 -4.125) 55.272 8.088 ( -0.897 -1.648 -1.683) 2.521 9.236 ( 7.518 7.277 1.787) 10.614 11.312 ( -3.250 -0.633 -1.207) 3.524 11.460 ( -3.586 -5.540 -0.079) 6.600 13.895 ( -5.545 -8.478 -16.330) 19.217 15.152 ( -14.631 -14.470 16.820) 26.577 18.533 ( -12.135 -8.203 -18.356) 23.484 ======================= Grid point 24 (15/670) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( 30.557 18.932 9.191) 37.103 4.064 ( 22.764 28.285 5.641) 36.743 5.522 ( 8.465 14.346 -5.092) 17.418 5.962 ( 24.071 20.303 5.257) 31.926 7.819 ( 32.484 23.839 -13.789) 42.587 8.114 ( 11.372 10.695 7.232) 17.205 9.457 ( 8.767 8.860 2.185) 12.655 11.229 ( -3.657 -5.340 -1.154) 6.574 11.347 ( -4.010 -0.708 0.796) 4.149 13.666 ( -6.761 -8.275 -12.340) 16.324 14.803 ( -16.715 -14.881 18.217) 28.856 18.155 ( -14.561 -10.774 -18.625) 25.981 ======================= Grid point 25 (16/670) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( 27.343 12.796 6.815) 30.949 4.649 ( 16.161 23.566 3.191) 28.753 5.832 ( 10.750 19.660 -4.500) 22.854 6.504 ( 19.181 14.732 4.363) 24.576 7.919 ( -1.916 -2.696 -9.264) 9.837 8.925 ( 32.440 26.742 0.446) 42.044 9.708 ( 9.249 9.969 2.481) 13.823 11.138 ( 2.437 -6.372 1.777) 7.050 11.342 ( -0.645 6.992 1.733) 7.233 13.422 ( -8.455 -8.217 -11.024) 16.141 14.432 ( -17.426 -14.391 16.797) 28.158 17.735 ( -14.865 -12.451 -16.865) 25.699 ======================= Grid point 26 (17/670) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.841 ( 14.091 7.613 3.783) 16.457 5.145 ( 19.127 18.987 2.135) 27.035 6.205 ( 9.988 22.383 -3.410) 24.747 6.921 ( 14.272 11.234 2.576) 18.344 7.779 ( -6.885 -5.522 -7.504) 11.585 9.495 ( 13.618 13.530 -2.474) 19.356 9.967 ( 8.438 10.847 2.610) 13.988 11.202 ( 6.117 -1.617 0.016) 6.327 11.533 ( 12.240 12.370 8.326) 19.291 13.164 ( -9.075 -7.213 -9.086) 14.729 14.063 ( -15.786 -12.682 10.499) 22.810 17.324 ( -13.324 -13.168 -12.785) 22.680 ======================= Grid point 27 (18/670) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.063 ( 4.957 6.354 1.271) 8.159 5.647 ( 20.185 13.888 2.210) 24.601 6.537 ( 5.261 20.601 -2.846) 21.451 7.198 ( 6.676 7.489 -3.749) 10.710 7.551 ( -9.646 -6.715 -0.862) 11.784 9.736 ( 6.771 8.027 -2.215) 10.732 10.201 ( 5.584 10.995 2.351) 12.554 11.261 ( 2.711 -0.231 -1.897) 3.317 11.931 ( 13.374 9.508 10.348) 19.400 12.944 ( -7.670 -4.615 -2.465) 9.285 13.771 ( -7.062 -8.234 0.118) 10.849 16.965 ( -10.423 -12.659 -7.674) 18.104 ======================= Grid point 28 (19/670) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 0.711 5.170 0.225) 5.224 6.084 ( 16.547 10.587 1.247) 19.684 6.732 ( -1.331 13.265 -3.226) 13.716 7.144 ( -10.326 -0.594 -8.848) 13.611 7.482 ( 1.005 2.040 7.035) 7.393 9.900 ( 4.934 6.302 -1.438) 8.132 10.365 ( 0.833 9.823 1.653) 9.996 11.286 ( 2.171 -1.540 -1.723) 3.171 12.127 ( 0.784 3.219 3.289) 4.669 12.794 ( -7.285 -2.035 5.069) 9.106 13.714 ( 6.458 -3.351 -4.136) 8.369 16.701 ( -5.210 -10.038 -3.244) 11.766 ======================= Grid point 29 (20/670) ======================= q-point: (-0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.195 ( -2.217 3.731 -0.251) 4.347 6.302 ( -2.090 0.414 -6.217) 6.572 6.758 ( -0.836 6.282 2.052) 6.661 7.038 ( -3.677 9.335 -0.372) 10.040 7.512 ( -2.237 0.889 2.567) 3.519 9.981 ( -1.053 2.727 -0.011) 2.924 10.419 ( -4.588 7.038 0.216) 8.405 11.298 ( 1.860 -2.222 -0.272) 2.910 12.118 ( -2.524 1.763 -5.409) 6.224 12.720 ( -2.497 2.135 4.548) 5.610 13.784 ( 4.854 -5.864 1.155) 7.700 16.606 ( 3.735 -4.883 0.111) 6.149 ======================= Grid point 30 (21/670) ======================= q-point: (-0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.161 ( -4.931 1.675 -0.679) 5.252 6.036 ( -16.473 -8.662 -8.152) 20.318 6.766 ( -13.206 10.619 3.542) 17.313 7.226 ( 12.532 8.545 6.452) 16.483 7.432 ( -6.456 -2.099 -2.049) 7.091 9.915 ( -7.391 -0.876 1.668) 7.627 10.352 ( -9.251 3.534 -1.189) 9.974 11.300 ( 0.351 -1.773 1.163) 2.149 12.047 ( -4.944 -0.197 -12.474) 13.420 12.791 ( 4.753 5.301 3.751) 8.048 13.756 ( 0.265 -7.249 4.543) 8.558 16.735 ( 13.023 0.344 3.664) 13.533 ======================= Grid point 31 (22/670) ======================= q-point: (-0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( -8.291 -1.970 -1.555) 8.662 5.605 ( -21.349 -9.558 -6.213) 24.202 6.566 ( -21.525 7.530 2.990) 22.999 7.220 ( -12.581 -5.407 0.680) 13.711 7.573 ( 14.475 6.694 3.613) 16.352 9.762 ( -9.905 -1.802 3.065) 10.524 10.180 ( -12.418 0.228 -1.906) 12.566 11.276 ( -1.471 -2.408 1.188) 3.061 11.811 ( -14.964 -5.713 -13.910) 21.214 12.985 ( 9.626 5.922 5.419) 12.534 13.770 ( 7.029 -0.984 -0.002) 7.098 17.042 ( 18.365 3.583 7.986) 20.344 ======================= Grid point 32 (23/670) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( -14.492 -10.246 -3.723) 18.134 5.115 ( -25.822 -5.424 -4.061) 26.696 6.237 ( -24.741 3.834 3.040) 25.220 6.901 ( -17.334 -8.272 -1.451) 19.261 7.837 ( 9.180 3.577 4.398) 10.789 9.527 ( -18.881 -5.448 4.092) 20.073 9.943 ( -13.616 -2.148 -2.297) 13.974 11.192 ( -2.712 -8.559 -2.346) 9.279 11.455 ( -14.370 0.070 -7.250) 16.095 13.242 ( 11.743 5.291 6.667) 14.503 13.971 ( 15.348 4.787 -7.839) 17.886 17.446 ( 20.309 5.466 11.912) 24.171 ======================= Grid point 33 (24/670) ======================= q-point: (-0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( -25.352 -18.143 -5.922) 31.732 4.619 ( -29.661 -1.760 -3.064) 29.871 5.870 ( -22.308 1.364 3.246) 22.584 6.473 ( -22.616 -10.224 -2.007) 24.901 7.982 ( 4.450 1.080 3.517) 5.774 8.934 ( -41.393 -16.203 2.237) 44.507 9.685 ( -13.235 -2.925 -2.255) 13.741 11.113 ( 5.724 -4.380 -3.220) 7.894 11.329 ( -5.029 5.007 -0.905) 7.154 13.506 ( 11.762 4.082 5.536) 13.626 14.292 ( 19.337 6.862 -11.152) 23.353 17.886 ( 20.048 6.379 13.982) 25.261 ======================= Grid point 34 (25/670) ======================= q-point: (-0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -32.689 -17.762 -6.427) 37.754 4.018 ( -37.286 -5.103 -3.914) 37.837 5.562 ( -16.601 0.254 3.137) 16.897 5.927 ( -30.011 -11.517 -2.005) 32.207 7.924 ( -53.368 -21.279 5.224) 57.691 8.056 ( 1.359 0.379 -2.197) 2.611 9.436 ( -12.165 -2.758 -2.141) 12.656 11.238 ( 7.933 0.887 0.525) 7.999 11.337 ( 2.074 3.526 -1.088) 4.233 13.752 ( 11.837 3.245 4.436) 13.051 14.660 ( 20.447 6.878 -10.379) 23.939 18.312 ( 17.942 6.118 13.581) 23.319 ======================= Grid point 35 (26/670) ======================= q-point: (-0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -37.044 -14.993 -6.488) 40.486 3.265 ( -43.290 -7.363 -4.235) 44.115 5.191 ( -43.472 -13.322 -0.925) 45.477 5.342 ( -12.508 -0.150 1.770) 12.634 6.820 ( -52.499 -17.404 1.104) 55.319 8.098 ( 2.343 -0.003 0.501) 2.396 9.218 ( -10.180 -2.151 -1.879) 10.573 11.324 ( 1.828 2.437 1.188) 3.270 11.456 ( 7.054 0.590 -0.874) 7.132 14.004 ( 13.042 2.937 5.012) 14.277 15.027 ( 19.442 5.559 -7.944) 21.726 18.677 ( 14.397 4.706 11.063) 18.757 ======================= Grid point 36 (27/670) ======================= q-point: (-0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -39.562 -9.981 -5.285) 41.142 2.428 ( -46.591 -6.515 -3.405) 47.168 4.142 ( -65.542 -12.763 -0.618) 66.776 5.177 ( -8.185 -0.326 1.185) 8.277 5.937 ( -37.637 -8.367 0.431) 38.558 8.136 ( 2.137 -0.063 0.070) 2.139 9.047 ( -7.603 -1.254 -1.214) 7.801 11.381 ( 2.513 1.314 0.588) 2.897 11.531 ( 1.997 -0.346 -0.317) 2.052 14.270 ( 13.458 2.045 5.338) 14.622 15.353 ( 16.669 3.202 -4.534) 17.569 18.948 ( 10.245 2.538 6.948) 12.636 ======================= Grid point 37 (28/670) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -40.549 -0.000 0.000) 40.549 1.591 ( -47.875 -0.000 0.000) 47.875 2.835 ( -79.855 -0.000 0.000) 79.855 5.066 ( -5.110 -0.000 0.000) 5.110 5.389 ( -24.025 -0.000 0.000) 24.025 8.168 ( 1.577 0.000 -0.000) 1.577 8.934 ( -4.837 -0.000 0.000) 4.837 11.433 ( 2.598 0.000 -0.000) 2.598 11.529 ( -1.387 -0.000 0.000) 1.387 14.503 ( 11.187 0.000 -0.000) 11.187 15.605 ( 12.288 0.000 -0.000) 12.288 19.112 ( 6.378 0.000 -0.000) 6.378 ======================= Grid point 40 (29/670) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 36.525 22.070) 42.676 1.826 ( -0.000 44.621 6.082) 45.034 3.353 ( 0.000 75.803 13.191) 76.942 5.076 ( -0.000 5.505 -2.550) 6.067 5.496 ( -0.000 28.046 -4.344) 28.380 8.140 ( -0.000 -2.239 -2.362) 3.255 8.933 ( -0.000 4.920 -1.811) 5.243 11.426 ( 0.000 -2.908 0.800) 3.016 11.524 ( -0.000 0.695 -1.404) 1.567 14.128 ( -0.000 -2.799 -40.633) 40.730 15.638 ( 0.000 -13.614 12.431) 18.436 18.977 ( -0.000 -1.339 -17.326) 17.377 ======================= Grid point 41 (30/670) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 11.307 34.269 19.117) 40.837 2.459 ( 19.765 41.311 6.551) 46.262 4.254 ( 18.780 62.417 11.683) 66.220 5.154 ( 3.204 7.630 -3.469) 8.973 5.890 ( 12.364 36.175 -5.310) 38.597 8.107 ( -0.326 -1.986 -2.935) 3.559 9.023 ( 4.600 6.397 -1.110) 7.957 11.391 ( -1.022 -2.373 0.404) 2.616 11.512 ( -0.549 -2.381 -1.586) 2.913 13.968 ( 0.520 -7.793 -31.125) 32.090 15.492 ( -5.244 -16.236 14.633) 22.477 18.849 ( -5.843 -4.423 -15.800) 17.417 ======================= Grid point 42 (31/670) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 18.825 29.697 15.651) 38.487 3.243 ( 24.541 37.678 6.143) 45.383 5.134 ( 20.373 39.312 7.679) 44.938 5.317 ( 7.070 13.418 -3.207) 15.503 6.591 ( 26.928 44.447 -5.899) 52.301 8.077 ( -0.332 -0.927 -2.128) 2.345 9.192 ( 7.105 8.313 0.076) 10.936 11.352 ( -2.195 -0.713 -0.924) 2.485 11.439 ( -1.852 -6.980 -0.993) 7.290 13.792 ( -0.840 -9.931 -22.396) 24.513 15.253 ( -9.514 -17.869 16.883) 26.360 18.596 ( -11.086 -7.659 -16.211) 21.080 ======================= Grid point 43 (32/670) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( 22.510 24.558 12.095) 35.441 4.004 ( 22.455 33.052 4.973) 40.266 5.527 ( 8.027 17.795 -5.923) 20.400 5.842 ( 19.055 25.624 7.257) 32.747 7.510 ( 31.760 36.539 -11.256) 49.704 8.105 ( 4.036 8.007 3.865) 9.764 9.415 ( 8.351 10.357 1.127) 13.352 11.238 ( -5.565 -8.642 -2.128) 10.497 11.380 ( -0.227 0.316 0.127) 0.410 13.605 ( -2.403 -10.197 -16.630) 19.655 14.949 ( -12.574 -18.406 18.663) 29.073 18.235 ( -14.623 -10.778 -16.936) 24.836 ======================= Grid point 44 (33/670) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( 23.024 18.790 9.120) 31.086 4.633 ( 16.465 26.503 2.660) 31.314 5.860 ( 10.043 24.180 -6.330) 26.937 6.381 ( 17.260 19.315 6.520) 26.711 7.860 ( 2.869 -0.317 -12.878) 13.198 8.710 ( 29.155 35.892 4.608) 46.470 9.673 ( 8.856 12.066 2.144) 15.120 11.060 ( -2.192 -10.330 0.025) 10.560 11.416 ( 0.459 6.640 -0.139) 6.657 13.401 ( -4.457 -10.108 -13.851) 17.717 14.605 ( -14.703 -17.993 18.752) 29.859 17.806 ( -15.658 -13.517 -16.337) 26.359 ======================= Grid point 45 (34/670) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 19.150 12.566 6.642) 23.848 5.098 ( 12.301 21.653 -0.045) 24.903 6.264 ( 10.458 25.868 -5.888) 28.516 6.841 ( 13.734 18.358 5.511) 23.579 7.788 ( -3.284 -4.282 -9.482) 10.910 9.415 ( 16.397 23.597 -0.218) 28.736 9.954 ( 8.754 13.653 3.128) 16.518 11.035 ( 8.601 -5.569 1.943) 10.429 11.541 ( 4.433 12.247 1.744) 13.141 13.177 ( -5.863 -9.018 -11.945) 16.074 14.235 ( -16.085 -16.705 15.230) 27.744 17.365 ( -14.001 -15.628 -13.496) 24.948 ======================= Grid point 46 (35/670) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.024 ( 9.936 8.504 3.559) 13.554 5.510 ( 14.585 18.754 -0.831) 23.772 6.627 ( 7.906 19.610 -5.768) 21.916 7.215 ( 6.121 20.439 1.142) 21.366 7.624 ( -7.023 -5.398 -3.362) 9.475 9.733 ( 4.534 12.883 -1.466) 13.736 10.236 ( 6.846 14.640 3.362) 16.507 11.164 ( 7.827 -2.454 -1.264) 8.300 11.840 ( 13.082 14.090 6.381) 20.258 12.980 ( -4.453 -5.915 -7.434) 10.492 13.860 ( -14.422 -14.168 7.358) 21.514 16.965 ( -10.433 -16.650 -8.962) 21.596 ======================= Grid point 47 (36/670) ======================= q-point: ( 0.47 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.206 ( 2.692 7.324 1.083) 7.878 5.931 ( 15.770 15.372 -1.395) 22.066 6.832 ( 1.902 8.079 -7.374) 11.102 7.315 ( -8.602 5.647 -6.403) 12.120 7.582 ( -2.309 14.642 8.684) 17.180 9.897 ( 3.582 9.798 -1.483) 10.537 10.472 ( 2.601 14.626 3.343) 15.227 11.211 ( 3.010 -3.370 -3.672) 5.823 12.152 ( 5.168 8.998 3.991) 11.118 12.883 ( -2.429 -2.327 3.436) 4.808 13.587 ( -2.718 -10.142 -2.171) 10.722 16.650 ( -5.475 -15.660 -4.475) 17.183 ======================= Grid point 48 (37/670) ======================= q-point: ( 0.53 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.279 ( -1.629 6.071 -0.208) 6.289 6.273 ( 8.158 9.703 -6.654) 14.317 6.804 ( -2.334 -0.038 -2.693) 3.564 7.240 ( -5.149 5.806 0.994) 7.824 7.688 ( -9.433 19.736 4.088) 22.253 10.023 ( 1.274 7.004 -0.918) 7.177 10.598 ( -4.534 12.131 1.497) 13.037 11.216 ( 3.824 -3.747 -2.027) 5.724 12.204 ( -5.283 5.641 -3.978) 8.692 12.828 ( -5.026 0.835 7.792) 9.310 13.573 ( 10.023 -9.639 -1.239) 13.961 16.473 ( 2.023 -11.828 -1.174) 12.057 ======================= Grid point 49 (38/670) ======================= q-point: (-0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.270 ( -4.895 3.700 -1.081) 6.231 6.204 ( -13.437 -1.943 -11.279) 17.650 6.953 ( 9.909 8.695 9.009) 15.967 7.212 ( -3.481 3.607 -0.974) 5.106 7.656 ( -16.419 16.728 1.047) 23.463 10.040 ( -5.361 3.170 0.708) 6.268 10.566 ( -9.852 7.153 -1.766) 12.302 11.255 ( 3.369 -2.019 1.827) 4.331 12.121 ( -6.952 4.683 -10.935) 13.778 12.822 ( -0.719 4.264 5.870) 7.291 13.621 ( 6.746 -12.145 3.590) 14.349 16.502 ( 11.963 -6.344 1.687) 13.645 ======================= Grid point 50 (39/670) ======================= q-point: (-0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.173 ( -8.345 -0.521 -2.196) 8.645 5.862 ( -19.553 -2.593 -7.448) 21.083 7.014 ( -14.878 5.512 9.554) 18.521 7.363 ( 11.005 6.326 -6.481) 14.252 7.486 ( -15.467 9.494 4.223) 18.633 9.934 ( -9.598 1.859 2.200) 10.021 10.412 ( -13.235 3.057 -2.673) 13.844 11.268 ( -0.293 -3.529 1.938) 4.037 11.968 ( -11.873 2.034 -12.425) 17.306 12.927 ( 5.499 4.897 5.625) 9.266 13.624 ( 6.381 -8.184 1.928) 10.555 16.747 ( 20.016 -1.881 5.105) 20.742 ======================= Grid point 51 (40/670) ======================= q-point: (-0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.948 ( -13.793 -6.824 -3.847) 15.862 5.477 ( -22.596 0.255 -3.899) 22.931 6.763 ( -24.344 5.997 7.390) 26.138 7.140 ( -21.281 0.949 -5.568) 22.018 7.702 ( 12.770 3.979 3.633) 13.860 9.785 ( -12.744 2.054 3.740) 13.439 10.176 ( -15.619 0.260 -2.635) 15.842 11.157 ( -5.016 -10.879 -2.261) 12.191 11.706 ( -16.265 3.473 -6.349) 17.802 13.123 ( 10.046 3.988 5.798) 12.265 13.736 ( 12.915 -0.959 -4.271) 13.637 17.139 ( 23.909 1.076 8.211) 25.302 ======================= Grid point 52 (41/670) ======================= q-point: (-0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.546 ( -21.938 -11.240 -4.806) 25.114 5.079 ( -26.009 1.775 -1.988) 26.145 6.382 ( -30.242 6.754 5.594) 31.488 6.741 ( -21.236 -5.900 -4.274) 22.451 7.905 ( 7.371 1.406 2.283) 7.844 9.454 ( -31.151 -4.766 3.652) 31.724 9.899 ( -15.195 -1.022 -2.311) 15.404 10.975 ( 1.141 -9.023 -3.986) 9.930 11.513 ( -11.148 5.912 -1.090) 12.666 13.356 ( 11.662 2.624 4.327) 12.712 13.993 ( 18.359 2.833 -7.347) 19.976 17.596 ( 24.501 2.852 9.567) 26.457 ======================= Grid point 53 (42/670) ======================= q-point: (-0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( -29.565 -10.733 -4.297) 31.745 4.591 ( -33.668 0.154 -1.766) 33.715 5.962 ( -27.191 4.634 3.563) 27.812 6.288 ( -24.562 -7.114 -2.576) 25.701 8.006 ( 3.731 0.096 1.160) 3.908 8.670 ( -51.306 -11.233 1.343) 52.539 9.638 ( -14.407 -0.893 -1.376) 14.500 11.047 ( 12.333 -1.346 -1.327) 12.477 11.416 ( -6.181 3.754 -0.103) 7.233 13.584 ( 11.995 1.572 2.247) 12.304 14.335 ( 20.978 3.523 -6.301) 22.185 18.054 ( 22.716 3.247 8.509) 24.474 ======================= Grid point 54 (43/670) ======================= q-point: (-0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -35.337 -6.843 -2.833) 36.105 3.943 ( -42.116 -1.246 -1.460) 42.160 5.610 ( -19.696 1.829 2.103) 19.892 5.751 ( -32.632 -5.003 -1.529) 33.048 7.637 ( -58.485 -8.441 0.607) 59.094 8.057 ( 2.561 -0.123 0.224) 2.573 9.396 ( -13.033 -0.643 -0.831) 13.076 11.266 ( 12.193 1.059 0.425) 12.246 11.372 ( -1.587 0.818 -0.501) 1.854 13.810 ( 13.079 0.986 1.290) 13.180 14.704 ( 21.264 2.356 -3.600) 21.695 18.456 ( 19.242 2.181 5.185) 20.047 ======================= Grid point 55 (44/670) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -38.983 -0.000 0.000) 38.983 3.183 ( -46.629 -0.000 0.000) 46.629 5.052 ( -48.476 -0.000 0.000) 48.476 5.354 ( -12.937 -0.000 0.000) 12.937 6.649 ( -52.392 -0.000 0.000) 52.392 8.098 ( 2.385 0.000 -0.000) 2.385 9.192 ( -10.603 -0.000 0.000) 10.603 11.361 ( 0.680 0.000 -0.000) 0.680 11.449 ( 7.701 0.000 -0.000) 7.701 14.049 ( 14.382 0.000 -0.000) 14.382 15.054 ( 19.745 0.000 -0.000) 19.745 18.762 ( 14.851 0.000 -0.000) 14.851 ======================= Grid point 60 (45/670) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.000 36.267 17.881) 40.435 2.709 ( -0.000 42.606 5.981) 43.024 4.741 ( 0.000 57.041 12.534) 58.402 5.186 ( -0.000 8.060 -3.794) 8.908 6.164 ( -0.000 45.753 -6.932) 46.275 8.085 ( -0.000 -0.909 -3.355) 3.476 9.046 ( -0.000 8.076 -1.748) 8.263 11.371 ( 0.000 -3.214 0.858) 3.327 11.482 ( -0.000 -4.292 -2.638) 5.038 13.782 ( -0.000 -8.537 -29.629) 30.834 15.414 ( 0.000 -18.726 15.056) 24.028 18.804 ( -0.000 -6.071 -13.916) 15.182 ======================= Grid point 61 (46/670) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 6.616 33.801 15.496) 37.767 3.284 ( 16.418 39.433 5.651) 43.086 5.292 ( 4.639 16.925 -2.522) 17.729 5.349 ( 8.760 35.527 8.031) 37.462 6.717 ( 11.796 52.010 -7.998) 53.928 8.077 ( -0.081 1.989 -1.695) 2.614 9.171 ( 5.050 9.693 -1.045) 10.980 11.351 ( 0.658 -2.038 0.411) 2.180 11.394 ( -2.366 -8.372 -3.032) 9.213 13.615 ( 0.798 -9.723 -24.110) 26.009 15.237 ( -4.395 -20.398 16.030) 26.312 18.630 ( -7.237 -8.418 -13.492) 17.472 ======================= Grid point 62 (47/670) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( 12.578 28.861 13.086) 34.094 3.980 ( 20.692 34.107 4.354) 40.129 5.537 ( 9.410 17.305 -5.797) 20.533 5.869 ( 11.305 28.061 7.545) 31.179 7.418 ( 18.125 37.967 -12.980) 44.028 8.165 ( 3.749 16.378 4.829) 17.481 9.383 ( 8.028 11.469 0.142) 14.001 11.222 ( -5.054 -11.725 -2.960) 13.107 11.368 ( 2.204 0.636 -0.107) 2.297 13.460 ( 0.335 -10.339 -18.826) 21.481 14.986 ( -7.810 -21.083 17.227) 28.324 18.318 ( -13.270 -11.018 -13.907) 22.156 ======================= Grid point 63 (48/670) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 15.842 23.015 10.369) 29.802 4.612 ( 17.780 26.669 2.208) 32.128 5.902 ( 11.422 25.150 -6.762) 28.438 6.335 ( 14.220 21.125 6.644) 26.317 7.754 ( 5.766 4.182 -14.569) 16.217 8.698 ( 19.349 41.635 6.913) 46.429 9.651 ( 9.176 13.172 1.628) 16.135 11.006 ( -4.721 -12.585 -1.535) 13.529 11.442 ( 3.466 5.418 -0.920) 6.497 13.296 ( -1.256 -10.666 -15.489) 18.849 14.688 ( -10.395 -20.824 17.874) 29.346 17.898 ( -16.753 -13.732 -13.955) 25.768 ======================= Grid point 64 (49/670) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( 16.231 16.730 7.789) 24.576 5.099 ( 13.182 21.247 -0.716) 25.014 6.309 ( 9.805 23.695 -6.206) 26.384 6.824 ( 16.346 24.012 5.285) 29.525 7.753 ( -0.411 -2.029 -10.535) 10.736 9.416 ( 16.598 33.536 2.709) 37.516 9.950 ( 9.525 14.629 3.468) 17.798 10.864 ( 2.667 -9.626 0.480) 10.000 11.586 ( 4.828 11.300 -1.190) 12.346 13.113 ( -2.832 -10.079 -13.388) 16.995 14.355 ( -12.733 -19.695 16.561) 28.710 17.424 ( -16.861 -16.346 -12.546) 26.625 ======================= Grid point 65 (50/670) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.931 ( 13.088 10.896 5.227) 17.814 5.489 ( 11.314 19.974 -3.126) 23.167 6.618 ( 8.119 12.838 -4.852) 15.946 7.342 ( 10.497 29.480 -0.720) 31.301 7.667 ( -3.263 -0.818 -2.751) 4.346 9.830 ( 2.559 19.611 0.155) 19.778 10.266 ( 8.623 15.637 4.391) 18.389 10.940 ( 12.969 -5.339 0.320) 14.028 11.824 ( 8.310 15.871 0.445) 17.920 12.939 ( -2.388 -7.576 -10.569) 13.221 13.991 ( -14.723 -17.576 12.198) 25.970 16.961 ( -13.591 -18.403 -9.351) 24.715 ======================= Grid point 66 (51/670) ======================= q-point: ( 0.47 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( 7.266 7.405 2.443) 10.658 5.859 ( 12.035 18.875 -4.633) 22.860 6.792 ( 5.246 2.961 -5.359) 8.063 7.441 ( -6.665 -0.855 -4.645) 8.169 7.883 ( 1.418 34.451 5.748) 34.956 9.979 ( -1.035 13.311 -0.860) 13.379 10.557 ( 6.387 15.262 5.212) 17.346 11.076 ( 7.774 -5.085 -3.757) 10.021 12.148 ( 9.928 14.594 2.687) 17.855 12.844 ( 1.472 -4.344 -4.773) 6.619 13.621 ( -13.409 -14.502 5.257) 20.439 16.573 ( -7.932 -18.904 -5.338) 21.185 ======================= Grid point 67 (52/670) ======================= q-point: ( 0.53 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.340 ( 1.664 5.540 0.142) 5.786 6.209 ( 10.834 15.981 -7.732) 20.798 6.811 ( -0.530 -1.958 -4.444) 4.885 7.318 ( -4.438 -3.034 3.857) 6.616 8.179 ( -10.359 37.640 2.553) 39.122 10.082 ( 0.294 9.813 -1.438) 9.922 10.781 ( -0.230 13.701 4.491) 14.420 11.092 ( 4.371 -5.231 -4.709) 8.285 12.354 ( -2.361 11.593 -1.674) 11.948 12.873 ( 4.380 -2.980 6.037) 8.031 13.354 ( -1.584 -12.441 -1.417) 12.621 16.314 ( -0.556 -16.694 -2.037) 16.827 ======================= Grid point 68 (53/670) ======================= q-point: (-0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.369 ( -2.905 3.101 -1.476) 4.498 6.360 ( -5.996 7.621 -13.322) 16.478 6.852 ( 9.083 4.344 3.811) 10.765 7.248 ( -1.883 -5.759 6.156) 8.637 8.264 ( -21.923 34.816 0.230) 41.144 10.148 ( -2.005 6.285 -0.503) 6.616 10.782 ( -9.212 5.463 -3.238) 11.189 11.166 ( 6.425 -0.382 2.912) 7.064 12.314 ( -10.754 9.954 -7.433) 16.431 12.907 ( -1.670 1.482 7.617) 7.937 13.329 ( 11.723 -15.032 0.762) 19.078 16.239 ( 8.919 -11.915 0.295) 14.887 ======================= Grid point 69 (54/670) ======================= q-point: (-0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.292 ( -7.095 -0.526 -2.693) 7.607 6.159 ( -17.494 4.736 -8.340) 19.950 7.156 ( 12.686 4.784 10.792) 17.329 7.161 ( -0.033 -5.484 -1.883) 5.799 8.121 ( -30.873 27.747 -1.438) 41.534 10.121 ( -7.541 5.098 1.190) 9.180 10.629 ( -10.890 1.682 -4.934) 12.074 11.233 ( 1.165 -3.766 3.589) 5.331 12.190 ( -12.206 9.870 -8.519) 17.860 12.933 ( 0.517 2.764 5.669) 6.328 13.387 ( 10.909 -13.104 1.715) 17.137 16.389 ( 18.852 -6.652 2.645) 20.165 ======================= Grid point 70 (55/670) ======================= q-point: (-0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.100 ( -11.973 -4.201 -3.439) 13.147 5.858 ( -21.440 5.028 -4.034) 22.388 7.015 ( -7.692 -7.042 5.564) 11.820 7.488 ( 13.529 5.726 0.823) 14.714 7.773 ( -34.816 17.331 -1.567) 38.922 10.029 ( -10.450 6.652 2.518) 12.641 10.421 ( -13.663 0.174 -3.729) 14.164 11.129 ( -5.207 -11.733 -0.538) 12.848 12.024 ( -16.444 9.078 -3.910) 19.186 13.028 ( 6.406 1.672 4.759) 8.154 13.483 ( 12.560 -5.762 -2.177) 13.989 16.735 ( 25.544 -2.563 4.764) 26.110 ======================= Grid point 71 (56/670) ======================= q-point: (-0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( -18.224 -5.839 -3.264) 19.413 5.514 ( -23.866 3.737 -1.682) 24.215 6.803 ( -13.321 -4.176 5.425) 14.978 7.232 ( -38.753 9.185 -4.479) 40.078 7.773 ( 10.960 1.679 1.856) 11.242 9.887 ( -18.431 5.605 4.034) 19.682 10.146 ( -16.594 -1.517 -3.297) 16.986 10.889 ( -4.790 -12.375 -2.858) 13.574 11.808 ( -16.905 6.806 -0.564) 18.232 13.200 ( 10.486 0.987 3.257) 11.024 13.691 ( 16.841 -0.456 -4.267) 17.379 17.193 ( 27.935 0.016 5.327) 28.439 ======================= Grid point 72 (57/670) ======================= q-point: (-0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( -25.073 -4.369 -2.042) 25.532 5.108 ( -27.817 1.376 -0.709) 27.860 6.516 ( -23.252 1.672 7.164) 24.388 6.638 ( -32.591 -0.719 -6.627) 33.266 7.930 ( 6.296 0.322 0.621) 6.335 9.398 ( -42.072 -2.279 1.461) 42.159 9.874 ( -14.479 -0.321 -1.024) 14.519 10.836 ( 8.476 -3.234 -1.358) 9.174 11.606 ( -12.534 3.013 0.043) 12.892 13.402 ( 11.629 0.506 1.259) 11.708 13.995 ( 20.187 0.986 -2.866) 20.413 17.676 ( 26.969 0.878 3.685) 27.234 ======================= Grid point 73 (58/670) ======================= q-point: (-0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( -31.102 -0.000 0.000) 31.102 4.589 ( -35.252 -0.000 0.000) 35.252 6.039 ( -30.066 -0.000 0.000) 30.066 6.194 ( -23.991 -0.000 0.000) 23.991 8.009 ( 3.421 0.000 -0.000) 3.421 8.559 ( -54.768 -0.000 0.000) 54.768 9.626 ( -14.697 -0.000 0.000) 14.697 11.031 ( 14.711 0.000 -0.000) 14.711 11.455 ( -7.180 -0.000 0.000) 7.180 13.605 ( 12.186 0.000 -0.000) 12.186 14.348 ( 21.600 0.000 -0.000) 21.600 18.114 ( 23.745 0.000 -0.000) 23.745 ======================= Grid point 80 (59/670) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 0.000 34.014 13.044) 36.430 3.530 ( 0.000 37.875 5.930) 38.336 5.341 ( -0.000 11.175 -4.790) 12.158 5.684 ( 0.000 35.424 8.326) 36.389 7.098 ( -0.000 49.747 -10.934) 50.935 8.127 ( -0.000 10.472 1.372) 10.561 9.223 ( -0.000 11.261 -0.968) 11.302 11.316 ( -0.000 -10.455 -3.879) 11.152 11.318 ( 0.000 -2.624 0.553) 2.682 13.441 ( -0.000 -9.101 -21.754) 23.581 15.118 ( 0.000 -21.980 15.492) 26.891 18.563 ( -0.000 -10.215 -11.951) 15.721 ======================= Grid point 81 (60/670) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 3.473 30.531 11.240) 32.719 4.023 ( 13.642 32.849 4.694) 35.877 5.517 ( 8.404 15.248 -5.196) 18.170 6.045 ( 3.506 27.795 5.750) 28.599 7.498 ( 5.792 26.219 -15.261) 30.885 8.357 ( 3.195 32.679 6.934) 33.559 9.383 ( 5.363 12.674 -0.147) 13.763 11.164 ( -3.274 -12.332 -3.465) 13.221 11.322 ( 2.714 -0.978 -0.100) 2.887 13.296 ( 0.503 -8.778 -18.070) 20.096 14.921 ( -3.544 -22.625 15.444) 27.622 18.349 ( -8.059 -12.302 -11.495) 18.666 ======================= Grid point 82 (61/670) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 7.948 25.022 9.645) 27.969 4.576 ( 16.484 24.843 2.102) 29.888 5.892 ( 15.687 23.585 -5.806) 28.915 6.375 ( 6.709 20.574 4.296) 22.062 7.675 ( 3.971 6.258 -13.836) 15.696 8.892 ( 10.681 44.451 6.803) 46.220 9.635 ( 8.709 13.951 1.242) 16.493 10.963 ( -5.044 -11.764 -2.243) 12.995 11.399 ( 5.806 2.801 -0.947) 6.516 13.161 ( -0.389 -8.732 -15.065) 17.417 14.671 ( -6.276 -22.414 15.509) 27.970 17.990 ( -14.622 -14.475 -11.334) 23.490 ======================= Grid point 83 (62/670) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 10.620 18.888 7.549) 22.946 5.049 ( 15.177 18.423 -0.862) 23.885 6.361 ( 10.006 24.419 -6.352) 27.144 6.763 ( 17.963 20.670 3.417) 27.597 7.709 ( 0.952 1.390 -9.678) 9.824 9.521 ( 13.363 36.627 4.219) 39.216 9.938 ( 9.996 14.535 3.436) 17.972 10.781 ( -3.540 -8.439 -1.048) 9.211 11.568 ( 8.488 8.580 -1.870) 12.213 13.014 ( -1.899 -8.258 -12.865) 15.405 14.384 ( -8.558 -21.471 14.909) 27.505 17.525 ( -18.195 -16.634 -10.607) 26.838 ======================= Grid point 84 (63/670) ======================= q-point: ( 0.42 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.857 ( 11.004 12.836 5.246) 17.702 5.450 ( 13.858 16.715 -3.699) 22.026 6.615 ( 3.944 11.288 -4.282) 12.701 7.362 ( 19.312 26.815 -3.851) 33.269 7.704 ( 0.605 4.785 -0.713) 4.875 9.995 ( 5.235 23.904 1.887) 24.543 10.270 ( 10.932 14.459 5.659) 18.990 10.713 ( 4.733 -4.994 -1.068) 6.963 11.829 ( 9.656 14.768 -2.432) 17.811 12.866 ( -2.164 -6.698 -10.523) 12.661 14.067 ( -10.922 -19.766 12.811) 25.963 17.017 ( -17.822 -18.522 -8.711) 27.140 ======================= Grid point 85 (64/670) ======================= q-point: ( 0.47 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.140 ( 9.100 7.866 2.797) 12.350 5.819 ( 12.795 17.014 -6.291) 22.198 6.724 ( 3.309 2.341 -3.363) 5.267 7.519 ( -4.809 0.905 -4.587) 6.707 8.123 ( 14.175 35.630 4.186) 38.573 10.179 ( -4.571 16.134 0.469) 16.775 10.590 ( 8.665 13.682 6.510) 17.454 10.827 ( 12.882 -5.204 -2.701) 14.154 12.139 ( 9.333 16.682 -1.682) 19.189 12.762 ( 0.102 -4.492 -7.702) 8.917 13.723 ( -12.971 -17.127 9.154) 23.353 16.543 ( -13.349 -19.482 -5.722) 24.299 ======================= Grid point 86 (65/670) ======================= q-point: ( 0.53 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.326 ( 5.422 4.417 0.362) 7.003 6.162 ( 11.472 16.687 -9.049) 22.180 6.761 ( 2.248 -1.765 -2.024) 3.502 7.399 ( -7.388 -2.376 2.711) 8.221 8.651 ( 2.552 39.916 1.796) 40.037 10.219 ( -5.306 11.371 -1.191) 12.605 10.873 ( 7.165 12.383 7.759) 16.275 10.938 ( 6.497 -4.568 -5.420) 9.615 12.429 ( 8.122 12.411 0.402) 14.838 12.729 ( 2.974 -4.279 -5.177) 7.346 13.384 ( -11.974 -13.058 5.131) 18.446 16.182 ( -5.730 -18.463 -2.643) 19.512 ======================= Grid point 87 (66/670) ======================= q-point: ( 0.58 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.406 ( 0.712 1.702 -1.593) 2.437 6.436 ( 5.297 14.615 -13.079) 20.315 6.783 ( 3.417 0.382 1.574) 3.782 7.260 ( -5.666 -6.878 7.870) 11.889 8.949 ( -13.988 39.350 0.289) 41.763 10.234 ( -2.170 6.291 -1.322) 6.785 10.915 ( -3.184 -1.288 -6.876) 7.686 11.102 ( 4.587 8.199 7.632) 12.104 12.580 ( -8.052 13.517 -5.024) 16.516 12.767 ( 15.403 -13.734 4.342) 21.088 13.150 ( -5.405 -6.395 1.474) 8.502 15.996 ( 3.840 -14.896 -0.474) 15.390 ======================= Grid point 88 (67/670) ======================= q-point: (-0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.373 ( -4.247 -0.751 -2.605) 5.038 6.459 ( -11.580 10.844 -9.545) 18.515 6.958 ( 12.720 4.657 -3.071) 13.890 7.142 ( -1.555 -10.194 12.304) 16.054 8.926 ( -29.471 31.560 -0.849) 43.189 10.262 ( -1.768 6.032 0.040) 6.286 10.780 ( -8.846 -0.230 -6.533) 10.999 11.202 ( 0.012 -1.095 5.234) 5.347 12.486 ( -11.597 10.662 -3.878) 16.224 12.941 ( 10.864 -5.757 7.735) 14.526 13.064 ( 3.477 -7.777 -2.886) 8.994 16.031 ( 14.482 -9.625 1.022) 17.419 ======================= Grid point 89 (68/670) ======================= q-point: (-0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.237 ( -9.107 -2.295 -2.541) 9.730 6.257 ( -19.947 8.025 -4.194) 21.906 7.018 ( -0.738 -7.806 1.226) 7.936 7.280 ( 15.031 2.794 4.306) 15.883 8.590 ( -38.778 19.280 -1.245) 43.325 10.270 ( -7.169 9.606 1.608) 12.093 10.593 ( -9.857 -1.598 -5.037) 11.184 11.109 ( -5.403 -10.191 1.510) 11.633 12.387 ( -14.404 11.963 -0.290) 18.727 12.976 ( 0.937 -1.987 2.612) 3.413 13.177 ( 16.069 -7.330 -1.470) 17.723 16.292 ( 23.723 -4.552 2.122) 24.248 ======================= Grid point 90 (69/670) ======================= q-point: (-0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( -14.149 -2.171 -1.594) 14.403 5.940 ( -23.221 3.575 -1.310) 23.531 6.917 ( -5.198 -3.976 1.708) 6.763 7.562 ( 14.053 1.497 0.911) 14.162 8.028 ( -42.602 7.851 -0.900) 43.329 10.212 ( -11.485 9.161 2.818) 14.959 10.377 ( -13.263 -2.466 -3.483) 13.933 10.880 ( -8.064 -10.059 -0.631) 12.908 12.184 ( -19.865 5.928 0.370) 20.734 13.049 ( 8.416 -0.886 1.337) 8.567 13.395 ( 16.071 -1.719 -1.672) 16.249 16.719 ( 28.770 -1.179 1.987) 28.862 ======================= Grid point 91 (70/670) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( -19.622 -0.000 0.000) 19.622 5.552 ( -24.856 -0.000 0.000) 24.856 6.769 ( -10.875 -0.000 0.000) 10.875 7.319 ( -43.011 -0.000 0.000) 43.011 7.795 ( 10.186 0.000 -0.000) 10.186 9.997 ( -28.616 -0.000 0.000) 28.616 10.090 ( -11.786 -0.000 0.000) 11.786 10.741 ( -0.832 -0.000 0.000) 0.832 11.883 ( -18.309 -0.000 0.000) 18.309 13.216 ( 10.987 0.000 -0.000) 10.987 13.672 ( 18.212 0.000 -0.000) 18.212 17.210 ( 29.434 0.000 -0.000) 29.434 ======================= Grid point 100 (71/670) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 0.000 29.092 7.849) 30.132 4.216 ( 0.000 28.597 5.300) 29.084 5.569 ( -0.000 16.180 -4.786) 16.873 6.289 ( -0.000 24.273 3.091) 24.469 7.590 ( -0.000 12.523 -14.618) 19.249 8.730 ( 0.000 43.834 6.955) 44.382 9.464 ( -0.000 13.699 0.232) 13.701 11.068 ( -0.000 -11.187 -3.211) 11.638 11.280 ( 0.000 -1.499 -0.112) 1.503 13.163 ( -0.000 -6.691 -15.538) 16.918 14.776 ( 0.000 -23.070 14.054) 27.014 18.256 ( -0.000 -14.143 -10.199) 17.437 ======================= Grid point 101 (72/670) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 1.439 24.527 6.619) 25.445 4.577 ( 10.526 21.569 2.701) 24.152 5.837 ( 12.811 21.209 -4.237) 25.138 6.514 ( 1.339 18.457 0.323) 18.509 7.651 ( 1.502 6.530 -11.440) 13.258 9.206 ( 4.514 40.976 5.317) 41.566 9.651 ( 5.710 14.456 1.154) 15.585 10.935 ( -3.581 -7.467 -1.771) 8.469 11.313 ( 5.160 0.314 -0.734) 5.221 13.059 ( -0.721 -4.634 -12.781) 13.614 14.575 ( -2.894 -22.566 13.026) 26.216 18.007 ( -8.434 -16.013 -9.534) 20.456 ======================= Grid point 102 (73/670) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( 4.818 18.808 5.641) 20.219 4.961 ( 13.708 15.009 -0.639) 20.337 6.349 ( 19.184 25.983 -5.039) 32.688 6.707 ( 6.780 12.372 -0.917) 14.138 7.696 ( 0.829 5.136 -6.914) 8.653 9.673 ( 8.659 28.813 3.168) 30.252 9.924 ( 9.056 14.057 3.007) 16.989 10.811 ( -5.486 -0.793 -0.933) 5.621 11.462 ( 10.516 4.508 -1.381) 11.525 12.960 ( -2.764 -2.306 -10.298) 10.909 14.334 ( -5.306 -21.327 11.986) 25.033 17.614 ( -15.165 -17.625 -8.842) 24.876 ======================= Grid point 103 (74/670) ======================= q-point: ( 0.42 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 7.009 13.129 3.989) 15.408 5.328 ( 15.498 12.208 -3.208) 19.988 6.664 ( 1.342 10.050 -5.716) 11.639 7.196 ( 27.484 23.645 -3.454) 36.419 7.741 ( 0.674 6.180 -0.043) 6.217 10.056 ( 11.036 14.683 0.861) 18.388 10.221 ( 9.704 10.897 6.197) 15.853 10.742 ( -5.618 6.924 -1.969) 9.132 11.740 ( 14.634 9.961 -2.264) 17.846 12.855 ( -4.953 0.066 -7.845) 9.278 14.065 ( -7.564 -19.632 10.510) 23.517 17.123 ( -18.711 -18.682 -7.585) 27.507 ======================= Grid point 104 (75/670) ======================= q-point: ( 0.47 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.083 ( 7.567 8.090 2.025) 11.261 5.695 ( 16.177 11.704 -5.495) 20.709 6.710 ( 0.231 2.394 -4.062) 4.721 7.593 ( -0.957 7.165 -4.992) 8.784 8.103 ( 25.213 26.734 4.806) 37.061 10.315 ( 7.429 5.708 -0.889) 9.411 10.495 ( 11.163 5.736 8.371) 15.086 10.752 ( -2.562 11.644 -3.117) 12.324 12.102 ( 14.523 14.530 -3.390) 20.822 12.748 ( -5.452 0.484 -5.585) 7.820 13.770 ( -9.798 -17.817 8.532) 22.051 16.607 ( -18.039 -18.716 -5.532) 26.576 ======================= Grid point 105 (76/670) ======================= q-point: ( 0.53 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( 6.501 4.092 0.080) 7.682 6.051 ( 15.332 11.709 -7.724) 20.780 6.715 ( 0.956 -0.595 -1.434) 1.823 7.535 ( -8.252 1.705 1.245) 8.518 8.813 ( 20.928 32.356 1.464) 38.562 10.396 ( -1.745 3.169 -1.237) 3.824 10.755 ( 10.164 4.298 -1.459) 11.131 10.875 ( 6.095 9.576 6.349) 13.006 12.421 ( 5.116 13.020 -2.960) 14.299 12.669 ( 0.613 -0.275 -5.564) 5.604 13.458 ( -10.658 -15.461 6.779) 19.965 16.154 ( -12.888 -17.235 -3.027) 21.732 ======================= Grid point 106 (77/670) ======================= q-point: ( 0.58 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.375 ( 3.721 1.212 -1.398) 4.156 6.373 ( 12.818 11.492 -9.767) 19.793 6.736 ( 2.612 -0.491 1.211) 2.921 7.378 ( -10.996 -2.520 5.054) 12.361 9.379 ( 7.171 33.527 -0.042) 34.285 10.343 ( -5.283 0.669 -1.127) 5.443 10.867 ( 2.204 2.948 -5.908) 6.961 11.164 ( 8.575 11.842 9.928) 17.673 12.423 ( 2.625 -13.843 -1.465) 14.166 12.770 ( 0.216 12.609 -6.093) 14.006 13.206 ( -6.209 -8.676 5.342) 11.931 15.849 ( -4.120 -14.115 -0.949) 14.735 ======================= Grid point 107 (78/670) ======================= q-point: (-0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.400 ( -0.539 -0.485 -1.894) 2.028 6.614 ( 4.999 11.356 -9.179) 15.434 6.817 ( 6.732 1.671 -0.772) 6.979 7.167 ( -9.967 -7.885 9.176) 15.675 9.625 ( -16.463 28.561 -0.727) 32.974 10.289 ( 1.467 -0.045 -0.378) 1.515 10.862 ( -2.977 0.597 -4.733) 5.624 11.317 ( -8.075 9.067 5.415) 13.295 12.407 ( 18.423 -20.805 1.245) 27.817 12.808 ( -4.642 10.334 -2.817) 11.674 13.110 ( -4.236 -0.664 1.526) 4.551 15.755 ( 6.858 -9.371 0.201) 11.614 ======================= Grid point 108 (79/670) ======================= q-point: (-0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.337 ( -5.324 -0.883 -1.296) 5.550 6.631 ( -14.803 9.916 -4.120) 18.287 6.911 ( 4.711 -5.943 -2.577) 8.009 7.096 ( 8.837 -1.729 6.972) 11.388 9.370 ( -34.752 12.693 -0.533) 37.001 10.388 ( 4.197 5.652 0.415) 7.052 10.736 ( -10.667 -0.553 -3.330) 11.189 11.162 ( -10.746 -3.875 1.802) 11.565 12.591 ( 9.781 -1.166 4.450) 10.809 12.866 ( 6.036 2.800 -5.585) 8.687 13.000 ( -5.931 -2.852 2.102) 6.909 15.901 ( 17.764 -3.887 0.582) 18.194 ======================= Grid point 109 (80/670) ======================= q-point: (-0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.203 ( -9.880 -0.000 0.000) 9.880 6.339 ( -22.106 -0.000 0.000) 22.106 6.932 ( 1.022 0.000 -0.000) 1.022 7.321 ( 14.949 0.000 -0.000) 14.949 8.780 ( -41.563 -0.000 0.000) 41.563 10.464 ( -1.536 -0.000 0.000) 1.536 10.497 ( -14.196 -0.000 0.000) 14.196 10.974 ( -9.032 -0.000 0.000) 9.032 12.539 ( -16.516 -0.000 0.000) 16.516 12.924 ( 5.241 0.000 -0.000) 5.241 13.113 ( 15.880 0.000 -0.000) 15.880 16.253 ( 25.566 0.000 -0.000) 25.566 ======================= Grid point 120 (81/670) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.532 ( -0.000 21.598 2.597) 21.753 4.678 ( 0.000 16.428 3.148) 16.727 5.911 ( -0.000 21.328 -2.876) 21.521 6.655 ( -0.000 13.288 -3.740) 13.805 7.675 ( -0.000 7.455 -7.578) 10.630 9.531 ( -0.000 29.924 3.113) 30.085 9.745 ( -0.000 14.675 1.442) 14.746 10.927 ( -0.000 -0.235 -0.151) 0.279 11.258 ( -0.000 -0.488 -0.992) 1.106 13.011 ( -0.000 0.535 -9.575) 9.590 14.424 ( 0.000 -21.321 10.872) 23.933 17.887 ( -0.000 -17.791 -8.482) 19.710 ======================= Grid point 121 (82/670) ======================= q-point: ( 0.37 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( 0.544 16.452 2.117) 16.597 4.899 ( 8.473 11.635 -0.043) 14.393 6.254 ( 16.090 22.979 -2.185) 28.137 6.739 ( 0.669 6.942 -6.383) 9.454 7.738 ( 0.117 8.505 -3.267) 9.111 9.791 ( 3.872 15.869 1.019) 16.367 9.942 ( 5.724 14.237 2.451) 15.539 10.922 ( -4.015 6.167 0.269) 7.364 11.323 ( 8.067 1.188 -1.082) 8.226 12.997 ( -2.552 5.711 -6.221) 8.822 14.239 ( -2.737 -18.765 8.946) 20.968 17.610 ( -8.360 -19.188 -7.669) 22.291 ======================= Grid point 122 (83/670) ======================= q-point: ( 0.42 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.893 ( 3.224 11.500 1.629) 12.054 5.173 ( 13.242 8.616 -2.482) 15.993 6.701 ( 3.434 8.794 -6.860) 11.670 6.924 ( 25.474 17.063 -2.545) 30.767 7.810 ( -0.692 7.962 0.799) 8.032 9.981 ( 7.174 4.861 -0.357) 8.673 10.208 ( 8.311 12.857 4.443) 15.941 10.918 ( -4.934 9.437 -1.796) 10.800 11.539 ( 15.257 3.427 -1.005) 15.669 12.983 ( -6.245 9.220 -3.248) 11.600 14.030 ( -5.713 -15.351 7.072) 17.842 17.202 ( -14.786 -19.614 -6.622) 25.440 ======================= Grid point 123 (84/670) ======================= q-point: ( 0.47 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.057 ( 5.026 7.149 0.489) 8.753 5.490 ( 16.638 7.286 -3.809) 18.558 6.716 ( -0.420 0.956 -5.348) 5.449 7.586 ( 20.031 19.160 -5.971) 28.355 7.929 ( 12.303 9.212 6.868) 16.835 10.134 ( 9.665 -1.287 -1.556) 9.874 10.467 ( 7.407 8.870 6.666) 13.341 10.934 ( -4.199 11.715 -3.615) 12.959 11.883 ( 20.930 5.503 -1.869) 21.722 12.933 ( -10.135 9.572 -1.317) 14.002 13.793 ( -9.143 -12.705 5.334) 16.536 16.719 ( -17.917 -18.389 -5.055) 26.167 ======================= Grid point 124 (85/670) ======================= q-point: ( 0.53 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.199 ( 5.629 3.621 -0.565) 6.717 5.835 ( 17.972 6.550 -4.699) 19.698 6.700 ( -0.007 -0.238 -2.510) 2.521 7.704 ( -7.097 5.685 -0.129) 9.094 8.596 ( 35.321 20.427 2.305) 40.868 10.260 ( 9.351 -5.299 -2.568) 11.051 10.685 ( 8.697 6.561 6.166) 12.518 10.975 ( -3.368 10.897 -1.905) 11.564 12.309 ( 21.748 8.781 -3.126) 23.662 12.807 ( -14.326 6.630 -1.112) 15.825 13.511 ( -11.502 -12.702 4.329) 17.674 16.246 ( -17.008 -15.098 -3.053) 22.946 ======================= Grid point 125 (86/670) ======================= q-point: ( 0.58 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.308 ( 4.893 1.180 -1.103) 5.153 6.176 ( 17.269 5.696 -4.998) 18.859 6.703 ( 1.235 -0.181 -0.142) 1.256 7.581 ( -11.630 1.412 2.146) 11.911 9.345 ( 27.928 21.180 0.275) 35.052 10.308 ( 4.234 -7.174 -1.621) 8.487 10.929 ( 2.275 12.206 -6.118) 13.841 11.051 ( 11.106 2.533 10.489) 15.485 12.522 ( -20.440 0.262 -2.502) 20.594 12.736 ( 15.308 9.247 -4.285) 18.390 13.229 ( -8.219 -11.649 4.757) 15.030 15.866 ( -12.157 -10.479 -1.210) 16.095 ======================= Grid point 126 (87/670) ======================= q-point: ( 0.63 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.374 ( 2.605 -0.012 -0.909) 2.759 6.480 ( 14.901 4.146 -3.901) 15.952 6.743 ( 3.650 0.213 0.542) 3.696 7.367 ( -14.714 -1.197 2.600) 14.990 9.896 ( 13.890 19.151 -0.766) 23.670 10.245 ( -2.643 -8.519 0.001) 8.919 10.924 ( -4.872 3.427 -2.456) 6.443 11.485 ( 19.934 14.510 6.669) 25.542 12.070 ( -17.979 -17.349 -3.414) 25.217 12.954 ( -2.294 8.142 -3.759) 9.256 13.107 ( 3.488 -5.013 3.661) 7.120 15.651 ( -3.460 -5.449 -0.164) 6.457 ======================= Grid point 127 (88/670) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.385 ( -1.094 -0.000 0.000) 1.094 6.718 ( 11.365 0.000 -0.000) 11.365 6.818 ( 3.079 0.000 -0.000) 3.079 7.111 ( -13.013 -0.000 0.000) 13.013 9.932 ( -23.293 -0.000 0.000) 23.293 10.265 ( 12.022 0.000 -0.000) 12.022 10.858 ( -4.706 -0.000 0.000) 4.706 11.463 ( -25.291 -0.000 0.000) 25.291 12.148 ( 31.981 0.000 -0.000) 31.981 12.909 ( -3.718 -0.000 0.000) 3.718 13.109 ( -4.602 -0.000 0.000) 4.602 15.661 ( 7.925 0.000 -0.000) 7.925 ======================= Grid point 140 (89/670) ======================= q-point: ( 0.37 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( -0.000 12.792 -1.962) 12.941 4.918 ( -0.000 8.058 0.909) 8.109 6.313 ( -0.000 20.333 -0.678) 20.344 6.755 ( -0.000 2.479 -8.553) 8.905 7.825 ( -0.000 10.048 -0.334) 10.054 9.866 ( -0.000 7.058 -0.416) 7.070 10.035 ( 0.000 13.732 2.287) 13.921 11.034 ( 0.000 7.159 1.227) 7.264 11.243 ( -0.000 -0.203 -1.785) 1.797 13.093 ( -0.000 10.894 -1.861) 11.052 14.131 ( 0.000 -13.005 6.076) 14.355 17.465 ( -0.000 -20.495 -6.814) 21.599 ======================= Grid point 141 (90/670) ======================= q-point: ( 0.42 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.959 ( 0.766 8.324 -1.210) 8.447 5.057 ( 7.785 5.971 -1.746) 9.966 6.645 ( 15.089 16.629 -1.499) 22.505 6.749 ( 3.535 1.442 -6.773) 7.775 7.913 ( -1.023 8.893 1.470) 9.072 9.933 ( 2.704 2.809 -1.166) 4.070 10.220 ( 5.670 12.126 2.993) 13.716 11.055 ( -3.285 5.632 -1.138) 6.618 11.331 ( 10.175 -0.348 -0.593) 10.198 13.167 ( -3.470 9.483 1.389) 10.193 14.031 ( -4.164 -4.206 3.564) 6.909 17.179 ( -7.765 -20.538 -5.854) 22.724 ======================= Grid point 142 (91/670) ======================= q-point: ( 0.47 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.050 ( 2.844 5.075 -1.273) 5.955 5.279 ( 13.574 4.419 -2.355) 14.469 6.704 ( 0.012 -0.428 -5.287) 5.305 7.261 ( 32.098 16.079 -1.677) 35.939 7.963 ( -2.161 5.418 3.203) 6.654 10.006 ( 4.773 0.496 -1.751) 5.108 10.444 ( 6.941 7.919 4.390) 11.409 11.066 ( -1.845 7.757 -3.589) 8.744 11.558 ( 18.413 -1.067 0.130) 18.445 13.160 ( -6.106 4.677 2.575) 8.111 13.914 ( -10.740 2.498 1.858) 11.182 16.792 ( -13.310 -18.207 -4.479) 22.994 ======================= Grid point 143 (92/670) ======================= q-point: ( 0.53 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 4.275 2.537 -1.174) 5.108 5.571 ( 17.387 3.362 -2.313) 17.859 6.687 ( 0.205 -0.501 -2.656) 2.710 7.848 ( 2.691 11.117 -3.800) 12.053 8.117 ( 32.394 5.027 5.478) 33.237 10.087 ( 6.042 -1.519 -2.082) 6.569 10.619 ( 6.546 3.238 4.511) 8.584 11.108 ( -1.888 8.169 -3.065) 8.927 11.933 ( 26.025 1.106 -0.553) 26.055 13.078 ( -8.712 2.626 1.948) 9.305 13.701 ( -18.044 1.294 0.963) 18.116 16.381 ( -15.786 -12.898 -2.684) 20.561 ======================= Grid point 144 (93/670) ======================= q-point: ( 0.58 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( 4.814 0.825 -0.713) 4.936 5.896 ( 18.771 2.092 -1.729) 18.967 6.685 ( 0.616 -0.165 -0.713) 0.957 7.787 ( -9.945 2.249 0.414) 10.204 8.884 ( 42.131 7.716 0.772) 42.839 10.159 ( 5.594 -2.796 -1.332) 6.395 10.798 ( 11.733 2.196 2.231) 12.144 11.116 ( -3.992 4.126 -0.649) 5.778 12.407 ( 27.180 2.983 -1.132) 27.366 12.911 ( -16.905 2.920 0.300) 17.158 13.364 ( -18.622 -3.959 0.988) 19.063 16.020 ( -15.367 -6.081 -0.982) 16.556 ======================= Grid point 145 (94/670) ======================= q-point: (-0.37 -0.63 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.313 ( 4.351 0.000 -0.000) 4.351 6.214 ( 17.949 0.000 -0.000) 17.949 6.701 ( 1.652 0.000 -0.000) 1.652 7.603 ( -13.024 -0.000 0.000) 13.024 9.571 ( 32.886 0.000 -0.000) 32.886 10.211 ( 2.479 0.000 -0.000) 2.479 11.045 ( -6.427 -0.000 0.000) 6.427 11.104 ( 23.509 0.000 -0.000) 23.509 12.506 ( -31.460 -0.000 0.000) 31.460 12.836 ( 20.776 0.000 -0.000) 20.776 13.113 ( -9.040 -0.000 0.000) 9.040 15.758 ( -11.757 -0.000 0.000) 11.757 ======================= Grid point 161 (95/670) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( -0.000 5.192 -4.047) 6.583 5.030 ( -0.000 3.757 -0.057) 3.758 6.647 ( -0.000 13.727 0.250) 13.729 6.707 ( -0.000 -1.086 -6.387) 6.479 8.010 ( 0.000 7.655 1.652) 7.831 9.931 ( -0.000 2.141 -1.580) 2.661 10.288 ( 0.000 10.425 2.360) 10.688 11.124 ( 0.000 1.655 0.752) 1.818 11.223 ( -0.000 -0.606 -2.000) 2.090 13.255 ( 0.000 1.077 3.575) 3.734 14.109 ( 0.000 9.797 1.467) 9.906 17.028 ( -0.000 -19.953 -4.952) 20.558 ======================= Grid point 162 (96/670) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.047 ( 1.322 2.699 -2.392) 3.841 5.125 ( 7.709 2.498 -1.140) 8.184 6.679 ( 0.169 -0.870 -3.966) 4.064 6.931 ( 19.863 9.691 -0.093) 22.101 8.061 ( -1.987 4.838 1.632) 5.479 9.958 ( 1.778 1.304 -1.561) 2.702 10.426 ( 4.683 6.882 2.408) 8.665 11.131 ( -0.214 4.314 -2.088) 4.798 11.293 ( 9.812 -3.385 0.581) 10.396 13.233 ( -1.880 -3.163 3.028) 4.766 14.174 ( -7.948 13.648 0.875) 15.818 16.779 ( -6.640 -16.141 -3.582) 17.817 ======================= Grid point 163 (97/670) ======================= q-point: ( 0.53 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.096 ( 2.989 1.155 -1.134) 3.399 5.323 ( 13.845 1.377 -0.821) 13.938 6.669 ( 0.451 -0.438 -1.677) 1.791 7.475 ( 35.199 6.199 -0.714) 35.748 8.043 ( -4.422 1.349 1.598) 4.892 10.003 ( 3.169 0.267 -1.097) 3.364 10.560 ( 4.974 2.136 2.006) 5.772 11.177 ( -0.117 4.882 -2.232) 5.369 11.519 ( 21.232 -2.378 0.785) 21.380 13.170 ( -3.248 -2.139 1.547) 4.185 14.071 ( -17.399 7.470 0.370) 18.939 16.496 ( -11.284 -8.516 -1.730) 14.242 ======================= Grid point 164 (98/670) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.160 ( 4.145 0.000 -0.000) 4.145 5.595 ( 17.617 0.000 -0.000) 17.617 6.673 ( 0.544 0.000 -0.000) 0.544 7.948 ( -7.571 -0.000 0.000) 7.571 8.181 ( 43.948 0.000 -0.000) 43.948 10.064 ( 4.330 0.000 -0.000) 4.330 10.663 ( 6.453 0.000 -0.000) 6.453 11.183 ( -1.741 -0.000 0.000) 1.741 11.938 ( 28.472 0.000 -0.000) 28.472 13.091 ( -5.838 -0.000 0.000) 5.838 13.747 ( -24.394 -0.000 0.000) 24.394 16.238 ( -14.294 -0.000 0.000) 14.294 ======================= Grid point 182 (99/670) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.046 ( -0.000 1.053 -2.063) 2.317 5.074 ( -0.000 1.116 -0.116) 1.122 6.660 ( -0.000 -0.598 -2.064) 2.149 6.829 ( -0.000 4.766 0.193) 4.770 8.120 ( 0.000 2.636 0.788) 2.751 9.952 ( -0.000 0.867 -0.941) 1.280 10.446 ( 0.000 4.117 1.107) 4.264 11.139 ( 0.000 0.040 0.453) 0.455 11.200 ( -0.000 -0.517 -0.979) 1.107 13.220 ( 0.000 -3.126 1.654) 3.537 14.373 ( -0.000 10.454 0.638) 10.474 16.695 ( -0.000 -9.903 -2.043) 10.111 ======================= Grid point 183 (100/670) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.061 ( 1.599 0.000 -0.000) 1.599 5.145 ( 7.727 0.000 -0.000) 7.727 6.657 ( 0.338 0.000 -0.000) 0.338 7.026 ( 20.299 0.000 -0.000) 20.299 8.113 ( -2.427 -0.000 0.000) 2.427 9.966 ( 1.440 0.000 -0.000) 1.440 10.502 ( 3.683 0.000 -0.000) 3.683 11.198 ( 0.186 0.000 -0.000) 0.186 11.229 ( 10.949 0.000 -0.000) 10.949 13.196 ( -1.333 -0.000 0.000) 1.333 14.346 ( -9.636 -0.000 0.000) 9.636 16.592 ( -5.830 -0.000 0.000) 5.830 ======================= Grid point 387 (101/670) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 -0.000 37.607) 37.607 0.368 ( 0.000 -0.000 37.607) 37.607 0.683 ( 0.000 -0.000 69.963) 69.963 4.972 ( -0.000 0.000 -2.404) 2.404 4.972 ( -0.000 0.000 -2.404) 2.404 8.856 ( -0.000 0.000 -0.147) 0.147 8.856 ( -0.000 0.000 -0.147) 0.147 10.306 ( -0.000 0.000 -8.029) 8.029 11.484 ( 0.000 -0.000 0.125) 0.125 11.484 ( 0.000 -0.000 0.125) 0.125 15.833 ( 0.000 -0.000 2.615) 2.615 18.395 ( -0.000 0.000 -0.406) 0.406 ======================= Grid point 388 (102/670) ======================= q-point: ( 0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 36.117 20.852 19.880) 46.201 1.085 ( 26.323 15.198 36.900) 47.807 1.776 ( 66.647 38.479 20.483) 79.637 4.985 ( 2.192 1.266 -3.531) 4.345 5.104 ( 12.413 7.167 -2.890) 14.622 8.215 ( -4.629 -2.672 3.320) 6.292 8.894 ( 2.819 1.627 0.824) 3.357 11.461 ( -1.833 -1.058 -0.216) 2.127 11.498 ( 1.869 1.079 -1.027) 2.389 13.831 ( 50.696 29.270 -102.153) 117.737 15.826 ( -4.156 -2.400 7.761) 9.125 18.833 ( 12.171 7.027 -34.722) 37.459 ======================= Grid point 389 (103/670) ======================= q-point: ( 0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 30.178 17.424 26.483) 43.768 1.957 ( 37.739 21.788 14.052) 45.787 3.315 ( 64.651 37.326 11.565) 75.543 5.046 ( 4.478 2.586 -4.584) 6.911 5.505 ( 24.732 14.279 -3.603) 28.784 8.154 ( -1.922 -1.110 -1.861) 2.896 8.987 ( 5.149 2.973 1.600) 6.157 11.405 ( -2.957 -1.707 -0.537) 3.456 11.536 ( 1.282 0.740 -0.612) 1.602 14.067 ( 4.360 2.517 -43.094) 43.387 15.689 ( -11.029 -6.368 14.265) 19.123 18.809 ( -2.851 -1.646 -25.278) 25.492 ======================= Grid point 390 (104/670) ======================= q-point: ( 0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 32.398 18.705 18.047) 41.536 2.826 ( 36.253 20.931 11.283) 43.355 4.649 ( 50.310 29.046 9.419) 58.851 5.155 ( 6.795 3.923 -5.468) 9.563 6.206 ( 39.968 23.076 -4.573) 46.377 8.107 ( -1.605 -0.927 -3.036) 3.557 9.133 ( 7.415 4.281 2.095) 8.815 11.333 ( -3.162 -1.826 -0.832) 3.745 11.526 ( -2.501 -1.444 -0.626) 2.955 13.940 ( -4.366 -2.521 -24.994) 25.497 15.440 ( -15.745 -9.091 18.343) 25.827 18.589 ( -9.338 -5.391 -23.302) 25.676 ======================= Grid point 391 (105/670) ======================= q-point: ( 0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( 32.752 18.909 11.731) 39.596 3.625 ( 31.879 18.405 9.274) 37.961 5.318 ( 9.620 5.554 -5.948) 12.601 5.594 ( 33.179 19.156 7.586) 39.056 7.220 ( 49.517 28.589 -6.969) 57.601 8.073 ( 0.045 0.026 -1.171) 1.172 9.328 ( 9.373 5.412 2.344) 11.074 11.266 ( -2.351 -1.357 -1.107) 2.932 11.418 ( -6.534 -3.772 -0.303) 7.551 13.743 ( -7.053 -4.072 -16.638) 18.524 15.118 ( -18.697 -10.795 20.735) 29.934 18.259 ( -13.216 -7.631 -22.764) 27.407 ======================= Grid point 392 (106/670) ======================= q-point: ( 0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( 31.198 18.012 6.955) 36.689 4.278 ( 23.805 13.744 6.979) 28.360 5.555 ( 13.584 7.843 -5.402) 16.590 6.242 ( 24.025 13.871 6.007) 28.385 7.891 ( 4.715 2.722 -14.814) 15.783 8.442 ( 38.668 22.325 5.425) 44.979 9.561 ( 10.658 6.153 2.455) 12.549 11.226 ( -0.817 -0.472 -1.377) 1.669 11.286 ( -3.750 -2.165 2.470) 4.985 13.516 ( -9.025 -5.210 -13.204) 16.821 14.748 ( -20.409 -11.783 20.333) 31.126 17.872 ( -14.810 -8.551 -20.692) 26.844 ======================= Grid point 393 (107/670) ======================= q-point: ( 0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( 14.254 8.230 3.919) 16.919 4.793 ( 28.087 16.216 3.411) 32.611 5.884 ( 16.652 9.614 -3.450) 19.535 6.724 ( 17.925 10.349 4.161) 21.112 7.827 ( -4.297 -2.481 -10.731) 11.822 9.214 ( 25.605 14.783 -0.672) 29.574 9.811 ( 10.858 6.269 2.507) 12.786 11.222 ( 0.799 0.461 -1.632) 1.875 11.366 ( 10.990 6.345 7.835) 14.914 13.260 ( -10.041 -5.797 -11.103) 16.053 14.345 ( -20.763 -11.988 15.186) 28.380 17.482 ( -14.504 -8.374 -16.096) 23.229 ======================= Grid point 394 (108/670) ======================= q-point: ( 0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 7.723 4.459 1.434) 9.033 5.382 ( 24.179 13.960 0.839) 27.932 6.238 ( 15.033 8.679 -1.463) 17.420 7.061 ( 11.225 6.481 -0.381) 12.967 7.652 ( -8.316 -4.801 -6.119) 11.386 9.590 ( 11.078 6.396 -1.995) 12.947 10.049 ( 9.549 5.513 2.431) 11.291 11.247 ( 1.803 1.041 -1.775) 2.736 11.768 ( 18.530 10.698 9.806) 23.537 13.025 ( -7.903 -4.563 -5.206) 10.506 13.948 ( -16.565 -9.564 5.087) 19.792 17.131 ( -13.099 -7.563 -10.160) 18.221 ======================= Grid point 395 (109/670) ======================= q-point: ( 0.47 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.093 ( 3.946 2.278 0.174) 4.559 5.874 ( 19.873 11.474 -1.577) 23.002 6.517 ( 9.876 5.702 -0.184) 11.406 7.150 ( -3.447 -1.990 -11.236) 11.920 7.505 ( -2.204 -1.273 6.500) 6.980 9.788 ( 8.030 4.636 -1.619) 9.413 10.238 ( 6.471 3.736 2.018) 7.740 11.284 ( 1.851 1.069 -1.612) 2.677 12.078 ( 5.674 3.276 2.205) 6.913 12.882 ( -6.578 -3.798 8.018) 11.044 13.727 ( -1.410 -0.814 -4.572) 4.853 16.843 ( -10.190 -5.883 -4.968) 12.772 ======================= Grid point 396 (110/670) ======================= q-point: ( 0.53 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.149 ( 1.229 0.709 -0.340) 1.459 6.217 ( 9.806 5.661 -7.040) 13.333 6.667 ( 3.453 1.993 0.654) 4.040 6.973 ( -4.497 -2.596 -4.972) 7.189 7.527 ( -0.271 -0.157 6.388) 6.396 9.929 ( 4.237 2.446 -0.741) 4.948 10.339 ( 1.921 1.109 1.141) 2.495 11.313 ( 1.066 0.615 -1.020) 1.598 12.090 ( -1.622 -0.936 -7.033) 7.278 12.757 ( -5.931 -3.424 9.989) 12.111 13.808 ( 5.720 3.303 -0.653) 6.637 16.671 ( -3.514 -2.029 -1.345) 4.275 ======================= Grid point 397 (111/670) ======================= q-point: (-0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.146 ( -1.332 -0.769 -0.569) 1.640 6.157 ( -10.724 -6.192 -11.865) 17.150 6.673 ( -3.208 -1.852 1.217) 3.899 7.082 ( 12.902 7.449 3.153) 15.227 7.492 ( -4.752 -2.744 4.238) 6.933 9.946 ( -2.843 -1.641 0.938) 3.414 10.328 ( -3.073 -1.774 0.009) 3.549 11.321 ( -0.163 -0.094 -0.171) 0.254 12.015 ( -2.089 -1.206 -13.439) 13.653 12.739 ( 2.236 1.291 7.261) 7.706 13.862 ( -1.985 -1.146 4.583) 5.124 16.704 ( 6.488 3.746 1.898) 7.728 ======================= Grid point 398 (112/670) ======================= q-point: (-0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.082 ( -4.380 -2.529 -0.831) 5.126 5.786 ( -18.243 -10.533 -9.682) 23.184 6.535 ( -9.509 -5.490 1.541) 11.087 7.336 ( -8.737 -5.044 -1.530) 10.204 7.435 ( 14.522 8.384 7.629) 18.423 9.831 ( -7.174 -4.142 2.705) 8.714 10.208 ( -7.288 -4.208 -0.976) 8.472 11.305 ( -1.257 -0.726 0.569) 1.559 11.866 ( -8.377 -4.837 -16.522) 19.146 12.891 ( 8.788 5.074 6.182) 11.883 13.806 ( -2.048 -1.182 3.718) 4.406 16.953 ( 14.025 8.098 5.983) 17.265 ======================= Grid point 399 (113/670) ======================= q-point: (-0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.935 ( -8.893 -5.134 -1.384) 10.362 5.295 ( -23.345 -13.478 -7.598) 28.007 6.270 ( -14.269 -8.238 1.732) 16.568 7.067 ( -14.726 -8.502 0.140) 17.005 7.753 ( 11.257 6.499 3.723) 13.522 9.654 ( -10.733 -6.196 4.478) 13.177 10.008 ( -9.996 -5.771 -1.636) 11.657 11.275 ( -1.557 -0.899 1.025) 2.070 11.520 ( -16.476 -9.512 -14.283) 23.790 13.142 ( 11.442 6.606 5.329) 14.246 13.866 ( 7.685 4.437 -2.564) 9.237 17.336 ( 17.371 10.029 10.076) 22.447 ======================= Grid point 400 (114/670) ======================= q-point: (-0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( -16.288 -9.404 -2.337) 18.953 4.694 ( -28.529 -16.471 -6.261) 33.532 5.937 ( -15.388 -8.884 1.938) 17.874 6.684 ( -19.704 -11.376 -0.212) 22.753 7.947 ( 5.664 3.270 1.460) 6.702 9.267 ( -28.275 -16.325 4.656) 32.980 9.765 ( -11.081 -6.398 -2.063) 12.960 11.197 ( -5.657 -3.266 -8.992) 11.114 11.251 ( -0.782 -0.451 1.241) 1.535 13.412 ( 11.358 6.557 2.514) 13.354 14.112 ( 15.030 8.677 -6.486) 18.527 17.772 ( 18.095 10.447 12.671) 24.436 ======================= Grid point 401 (115/670) ======================= q-point: (-0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( -32.941 -19.019 -5.403) 38.419 4.177 ( -25.864 -14.933 -3.288) 30.046 5.627 ( -12.628 -7.291 1.964) 14.713 6.184 ( -25.367 -14.646 -0.080) 29.291 8.034 ( 2.260 1.305 -2.402) 3.547 8.416 ( -46.920 -27.089 4.874) 54.397 9.512 ( -10.750 -6.206 -2.372) 12.637 11.223 ( 7.566 4.368 -3.841) 9.543 11.253 ( 0.707 0.408 1.303) 1.538 13.661 ( 10.944 6.319 -0.948) 12.673 14.465 ( 17.942 10.359 -5.906) 21.543 18.207 ( 16.914 9.765 12.838) 23.372 ======================= Grid point 402 (116/670) ======================= q-point: (-0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -35.757 -20.644 -4.362) 41.519 3.496 ( -33.617 -19.409 -3.664) 38.990 5.390 ( -9.308 -5.374 1.526) 10.856 5.529 ( -34.597 -19.974 0.819) 39.957 7.282 ( -50.997 -29.443 -0.776) 58.891 8.092 ( 1.510 0.872 0.907) 1.965 9.279 ( -9.294 -5.366 -2.533) 11.027 11.290 ( 2.155 1.244 1.242) 2.781 11.404 ( 7.806 4.507 -1.781) 9.187 13.907 ( 11.928 6.887 -2.906) 14.076 14.853 ( 17.874 10.320 -3.378) 20.914 18.594 ( 14.092 8.136 10.525) 19.379 ======================= Grid point 403 (117/670) ======================= q-point: (-0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -36.729 -21.206 -1.915) 42.454 2.681 ( -38.040 -21.963 -3.195) 44.041 4.585 ( -51.732 -29.868 2.780) 59.800 5.216 ( -6.815 -3.934 0.754) 7.905 6.241 ( -39.898 -23.035 -1.022) 46.082 8.127 ( 1.626 0.939 -0.784) 2.035 9.088 ( -7.075 -4.085 -2.420) 8.520 11.352 ( 2.897 1.672 1.065) 3.510 11.520 ( 2.907 1.678 -1.172) 3.555 14.172 ( 12.790 7.384 -5.344) 15.706 15.226 ( 15.770 9.105 0.213) 18.211 18.893 ( 10.201 5.889 5.959) 13.201 ======================= Grid point 404 (118/670) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -35.870 -20.710 4.817) 41.699 1.801 ( -39.946 -23.063 -1.148) 46.140 3.260 ( -66.873 -38.609 5.665) 77.426 5.089 ( -4.660 -2.690 -0.202) 5.384 5.525 ( -24.566 -14.183 -1.623) 28.413 8.158 ( 1.414 0.816 -1.297) 2.085 8.951 ( -4.510 -2.604 -1.943) 5.559 11.418 ( 2.642 1.525 0.796) 3.152 11.535 ( -0.844 -0.487 -0.771) 1.243 14.411 ( 10.392 6.000 -14.918) 19.145 15.546 ( 11.970 6.911 4.741) 14.612 19.079 ( 5.768 3.330 -2.385) 7.074 ======================= Grid point 407 (119/670) ======================= q-point: ( 0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 38.136 18.405) 42.345 1.196 ( 0.000 27.138 40.203) 48.505 1.920 ( 0.000 73.943 28.287) 79.169 4.983 ( -0.000 3.006 -3.622) 4.707 5.082 ( -0.000 13.732 -4.441) 14.432 8.215 ( 0.000 -8.296 3.437) 8.980 8.863 ( -0.000 1.810 -1.117) 2.127 11.473 ( 0.000 -1.552 0.526) 1.638 11.491 ( -0.000 1.862 -1.502) 2.392 13.467 ( -0.000 74.837 -105.554) 129.392 15.849 ( 0.000 -3.695 7.404) 8.275 18.761 ( -0.000 17.950 -30.100) 35.046 ======================= Grid point 408 (120/670) ======================= q-point: ( 0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 19.973 27.887 27.008) 43.658 1.753 ( 22.465 32.029 21.108) 44.453 3.018 ( 33.752 66.812 18.471) 77.099 5.020 ( 1.720 4.941 -4.760) 7.073 5.339 ( 12.894 19.980 -5.079) 24.316 8.150 ( -0.897 -3.534 -1.904) 4.114 8.932 ( 4.889 2.801 -0.185) 5.637 11.433 ( -2.299 -1.762 0.052) 2.897 11.517 ( 1.323 0.951 -1.161) 2.001 13.805 ( 12.312 15.076 -59.017) 62.144 15.786 ( -4.581 -8.770 12.422) 15.881 18.778 ( -2.175 4.897 -25.880) 26.429 ======================= Grid point 409 (121/670) ======================= q-point: ( 0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 23.392 23.482 24.638) 41.300 2.583 ( 29.375 32.514 12.047) 45.444 4.282 ( 40.213 49.553 13.562) 65.242 5.108 ( 3.846 7.446 -5.864) 10.228 5.875 ( 26.717 27.662 -5.879) 38.904 8.100 ( -0.736 -2.160 -3.729) 4.372 9.068 ( 6.684 4.816 0.868) 8.284 11.370 ( -3.161 -1.414 -0.504) 3.500 11.523 ( -0.073 -2.142 -1.051) 2.387 13.826 ( 3.135 -1.734 -34.521) 34.706 15.609 ( -9.852 -12.573 17.323) 23.563 18.620 ( -8.229 -1.972 -23.902) 25.356 ======================= Grid point 410 (122/670) ======================= q-point: ( 0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 27.049 21.535 16.941) 38.502 3.404 ( 27.696 30.243 9.882) 42.182 5.230 ( 11.571 12.890 -3.783) 17.730 5.334 ( 25.422 27.957 7.606) 38.545 6.741 ( 41.164 35.678 -6.965) 54.917 8.065 ( -0.072 -0.524 -2.995) 3.042 9.252 ( 8.075 6.936 1.544) 10.757 11.301 ( -3.428 -1.048 -1.120) 3.755 11.455 ( -3.252 -5.211 -1.018) 6.226 13.704 ( -1.587 -5.889 -22.130) 22.956 15.338 ( -13.927 -14.716 20.842) 29.067 18.327 ( -12.424 -6.024 -23.552) 27.301 ======================= Grid point 411 (123/670) ======================= q-point: ( 0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.799 ( 28.258 18.325 10.983) 35.425 4.128 ( 22.111 26.238 7.411) 35.103 5.463 ( 8.926 14.437 -6.890) 18.318 6.028 ( 23.039 19.755 8.196) 31.436 7.671 ( 26.533 18.980 -16.466) 36.543 8.182 ( 17.178 15.797 6.494) 24.224 9.478 ( 9.100 8.723 2.019) 12.766 11.217 ( -2.987 -4.921 -1.357) 5.914 11.352 ( -3.435 -0.682 0.173) 3.506 13.525 ( -4.772 -7.326 -16.184) 18.395 15.001 ( -17.038 -15.739 22.050) 32.003 17.955 ( -14.152 -8.703 -22.205) 27.732 ======================= Grid point 412 (124/670) ======================= q-point: ( 0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.440 ( 25.733 12.892 6.938) 29.606 4.681 ( 15.165 21.532 3.417) 26.557 5.784 ( 11.838 19.710 -5.380) 23.613 6.557 ( 18.050 14.432 6.480) 24.002 7.805 ( -0.036 -1.247 -13.949) 14.005 8.940 ( 29.791 25.299 2.495) 39.163 9.732 ( 9.388 10.081 2.442) 13.990 11.148 ( 2.975 -5.391 0.449) 6.173 11.362 ( 1.429 6.895 2.115) 7.352 13.301 ( -7.183 -7.780 -13.408) 17.085 14.608 ( -19.668 -15.948 19.026) 31.673 17.563 ( -13.377 -10.384 -18.246) 24.894 ======================= Grid point 413 (125/670) ======================= q-point: ( 0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( 12.004 7.617 3.512) 14.644 5.155 ( 19.531 18.112 -0.120) 26.637 6.172 ( 11.111 21.736 -3.205) 24.621 6.950 ( 12.115 10.654 3.163) 16.440 7.695 ( -4.855 -3.798 -9.584) 11.395 9.479 ( 12.809 13.243 -0.807) 18.441 9.993 ( 8.308 11.029 2.682) 14.066 11.196 ( 4.511 -1.359 -1.138) 4.847 11.609 ( 15.483 12.058 7.012) 20.839 13.072 ( -6.557 -6.249 -9.341) 13.011 14.169 ( -20.250 -14.815 11.140) 27.453 17.201 ( -11.205 -11.332 -12.239) 20.093 ======================= Grid point 414 (126/670) ======================= q-point: ( 0.47 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( 4.072 6.372 0.835) 7.607 5.645 ( 20.207 13.860 -2.539) 24.634 6.513 ( 6.270 18.994 -1.914) 20.094 7.148 ( 1.067 5.015 -6.414) 8.211 7.557 ( -3.935 -2.192 2.066) 4.955 9.719 ( 6.713 8.128 -1.260) 10.617 10.226 ( 5.251 11.144 2.608) 12.592 11.240 ( 2.776 -0.680 -2.345) 3.697 12.001 ( 11.548 8.376 3.520) 14.694 12.946 ( -1.777 -2.592 3.144) 4.446 13.771 ( -12.203 -10.150 -0.141) 15.874 16.895 ( -8.511 -11.298 -6.483) 15.560 ======================= Grid point 415 (127/670) ======================= q-point: ( 0.53 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 0.418 5.167 -0.265) 5.190 6.055 ( 15.343 10.346 -7.193) 19.854 6.709 ( 0.133 10.583 -1.218) 10.654 7.065 ( -8.007 3.697 -7.458) 11.550 7.559 ( -0.390 1.526 8.490) 8.635 9.887 ( 5.216 6.452 -1.112) 8.371 10.383 ( 0.182 9.772 2.001) 9.977 11.267 ( 2.937 -1.852 -2.166) 4.093 12.109 ( -2.105 2.676 -6.341) 7.197 12.889 ( -7.580 -3.244 13.686) 15.977 13.677 ( 8.257 -2.241 -3.449) 9.225 16.672 ( -3.844 -9.143 -2.528) 10.235 ======================= Grid point 416 (128/670) ======================= q-point: (-0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.190 ( -2.284 3.648 -0.718) 4.363 6.194 ( -3.185 -0.418 -14.829) 15.173 6.788 ( 0.626 9.311 3.672) 10.028 7.029 ( -1.263 9.410 -1.672) 9.641 7.560 ( -3.822 -0.409 7.122) 8.093 9.981 ( -0.270 3.103 -0.051) 3.115 10.423 ( -5.249 6.425 0.633) 8.321 11.293 ( 2.637 -1.632 -0.795) 3.202 12.027 ( -4.921 1.380 -12.337) 13.354 12.794 ( -4.106 0.541 9.683) 10.532 13.806 ( 6.957 -4.911 3.550) 9.226 16.607 ( 5.050 -4.120 0.277) 6.523 ======================= Grid point 417 (129/670) ======================= q-point: (-0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.152 ( -4.964 1.375 -1.034) 5.254 5.934 ( -14.755 -7.265 -12.568) 20.699 6.798 ( -14.974 12.755 3.102) 19.913 7.235 ( 13.834 6.691 -4.316) 15.962 7.471 ( -6.683 -2.753 9.570) 11.993 9.932 ( -6.623 -0.561 1.743) 6.871 10.343 ( -9.499 2.790 -0.647) 9.921 11.308 ( 0.425 -0.915 0.522) 1.135 11.903 ( -6.143 0.013 -16.214) 17.339 12.849 ( 4.082 4.519 7.516) 9.673 13.803 ( -0.064 -7.855 5.032) 9.328 16.771 ( 14.822 1.210 3.653) 15.313 ======================= Grid point 418 (130/670) ======================= q-point: (-0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.033 ( -8.463 -2.821 -1.656) 9.074 5.530 ( -20.188 -7.834 -8.941) 23.428 6.594 ( -22.395 8.930 2.638) 24.254 7.210 ( -11.036 -6.425 -2.621) 13.036 7.619 ( 13.199 5.896 5.657) 15.523 9.795 ( -9.107 -1.586 3.670) 9.946 10.165 ( -12.553 -0.259 -1.309) 12.624 11.283 ( -1.841 -2.859 0.099) 3.402 11.671 ( -14.015 -3.132 -14.323) 20.282 13.041 ( 9.457 5.771 5.697) 12.458 13.774 ( 4.235 -3.234 0.909) 5.406 17.117 ( 20.352 4.278 7.358) 22.060 ======================= Grid point 419 (131/670) ======================= q-point: (-0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( -15.183 -11.849 -3.362) 19.550 5.069 ( -25.002 -3.280 -5.181) 25.743 6.263 ( -25.239 4.821 2.232) 25.792 6.891 ( -16.909 -9.371 -0.699) 19.345 7.864 ( 8.712 3.442 1.191) 9.443 9.573 ( -18.887 -5.689 5.329) 20.432 9.923 ( -13.684 -2.443 -1.751) 14.010 11.153 ( -4.454 -10.507 -5.475) 12.658 11.398 ( -10.963 4.253 -4.310) 12.524 13.285 ( 11.194 5.331 1.708) 12.515 13.919 ( 13.155 3.096 -2.612) 13.764 17.552 ( 21.985 5.586 9.813) 24.715 ======================= Grid point 420 (132/670) ======================= q-point: (-0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( -25.725 -18.204 -4.304) 31.807 4.591 ( -29.859 -1.300 -2.663) 30.005 5.894 ( -22.503 1.963 1.698) 22.652 6.464 ( -22.378 -11.026 0.068) 24.947 7.988 ( 3.968 1.383 -2.148) 4.719 8.968 ( -42.073 -17.202 4.730) 45.699 9.665 ( -13.378 -2.797 -1.786) 13.784 11.077 ( 7.102 -2.754 -4.148) 8.673 11.324 ( -4.471 5.098 -0.281) 6.787 13.518 ( 11.319 4.686 -3.351) 12.700 14.228 ( 18.393 6.137 -1.780) 19.472 18.003 ( 21.121 5.693 9.945) 24.029 ======================= Grid point 421 (133/670) ======================= q-point: (-0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( -32.948 -17.511 -2.687) 37.409 3.989 ( -37.885 -4.753 -2.067) 38.238 5.582 ( -16.679 0.552 0.966) 16.716 5.923 ( -29.805 -12.200 1.139) 32.225 7.886 ( -40.645 -14.241 -9.630) 44.131 8.106 ( -11.830 -6.794 9.248) 16.482 9.416 ( -12.416 -2.370 -1.893) 12.781 11.238 ( 10.170 1.480 -0.713) 10.302 11.328 ( 0.630 3.622 -0.799) 3.763 13.741 ( 12.235 4.776 -6.670) 14.731 14.613 ( 19.956 6.528 0.833) 21.013 18.415 ( 18.423 4.657 7.477) 20.421 ======================= Grid point 422 (134/670) ======================= q-point: (-0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -37.259 -14.494 0.745) 39.986 3.239 ( -43.820 -6.638 -1.055) 44.332 5.202 ( -43.793 -14.003 3.302) 46.096 5.350 ( -11.835 -0.257 -0.189) 11.839 6.816 ( -52.334 -16.985 -2.025) 55.059 8.098 ( 1.864 -0.109 -0.435) 1.917 9.200 ( -10.379 -1.466 -1.797) 10.635 11.335 ( 1.586 2.278 1.062) 2.973 11.443 ( 7.530 0.963 -1.774) 7.795 13.980 ( 13.697 4.995 -9.675) 17.497 15.009 ( 19.215 5.398 4.272) 20.411 18.744 ( 14.446 2.625 2.513) 14.896 ======================= Grid point 423 (135/670) ======================= q-point: (-0.05 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -39.018 -8.961 7.630) 40.755 2.419 ( -46.777 -4.978 1.568) 47.067 4.168 ( -65.038 -14.070 5.862) 66.801 5.177 ( -8.171 -0.674 -1.166) 8.281 5.927 ( -37.626 -7.901 -2.438) 38.524 8.129 ( 2.015 0.351 -1.520) 2.548 9.035 ( -7.709 -0.165 -1.241) 7.810 11.387 ( 2.493 0.821 0.534) 2.678 11.524 ( 2.147 0.150 -1.004) 2.375 14.210 ( 12.577 4.033 -17.004) 21.531 15.374 ( 16.717 3.209 8.363) 18.965 18.955 ( 9.625 -0.085 -5.495) 11.083 ======================= Grid point 427 (136/670) ======================= q-point: ( 0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 41.531 12.431) 43.352 1.981 ( 0.000 29.588 32.964) 44.295 3.513 ( 0.000 72.677 19.594) 75.272 5.040 ( -0.000 5.647 -4.806) 7.416 5.441 ( -0.000 27.533 -7.011) 28.411 8.113 ( -0.000 -3.361 -3.245) 4.672 8.917 ( -0.000 4.728 -1.482) 4.955 11.434 ( 0.000 -2.812 0.719) 2.903 11.508 ( -0.000 0.410 -1.860) 1.904 13.666 ( -0.000 12.582 -52.254) 53.747 15.766 ( 0.000 -11.886 13.335) 17.864 18.772 ( -0.000 3.614 -23.342) 23.620 ======================= Grid point 428 (137/670) ======================= q-point: ( 0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 10.467 29.545 26.449) 41.012 2.547 ( 19.239 38.274 11.914) 44.463 4.392 ( 17.264 60.303 16.524) 64.865 5.110 ( 2.905 7.915 -5.682) 10.167 5.824 ( 12.793 35.676 -8.103) 38.756 8.072 ( -0.135 -1.963 -4.258) 4.691 9.014 ( 5.314 6.160 -0.811) 8.176 11.394 ( -1.536 -2.276 0.196) 2.753 11.494 ( -0.150 -2.882 -1.985) 3.503 13.629 ( 4.114 0.388 -37.518) 37.745 15.644 ( -4.388 -15.548 16.147) 22.841 18.662 ( -6.300 -0.781 -21.814) 22.719 ======================= Grid point 429 (138/670) ======================= q-point: ( 0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 16.740 26.292 21.122) 37.651 3.318 ( 24.435 35.561 9.102) 44.096 5.197 ( 11.550 24.622 1.844) 27.259 5.305 ( 14.042 26.286 3.888) 30.054 6.521 ( 27.204 43.796 -8.553) 52.262 8.051 ( 0.336 0.653 -3.262) 3.344 9.194 ( 7.831 8.095 0.219) 11.265 11.341 ( -2.987 -1.614 -1.329) 3.646 11.428 ( -1.083 -6.472 -1.369) 6.703 13.555 ( 2.473 -5.899 -25.763) 26.546 15.430 ( -8.407 -18.130 19.160) 27.685 18.410 ( -11.965 -4.618 -21.516) 25.048 ======================= Grid point 430 (139/670) ======================= q-point: ( 0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 20.408 22.663 14.986) 33.981 4.063 ( 22.012 30.961 7.115) 38.649 5.461 ( 7.809 17.791 -7.518) 20.833 5.922 ( 18.452 24.573 9.129) 32.056 7.385 ( 28.132 31.392 -14.191) 44.478 8.142 ( 7.926 14.010 3.749) 16.527 9.426 ( 8.934 10.332 1.204) 13.712 11.216 ( -4.930 -8.511 -2.394) 10.123 11.379 ( -0.266 0.183 -0.381) 0.499 13.432 ( -0.333 -8.474 -18.653) 20.490 15.144 ( -11.842 -19.415 21.190) 31.084 18.049 ( -15.198 -7.900 -20.972) 27.078 ======================= Grid point 431 (140/670) ======================= q-point: ( 0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 21.333 17.921 9.986) 29.596 4.663 ( 15.455 24.297 3.731) 29.036 5.796 ( 10.599 24.323 -6.912) 27.417 6.450 ( 16.771 18.737 7.526) 26.249 7.717 ( 4.854 2.096 -16.262) 17.100 8.760 ( 26.570 34.076 5.590) 43.571 9.695 ( 9.279 12.387 2.224) 15.636 11.057 ( -0.962 -9.670 -0.471) 9.729 11.413 ( 1.000 6.271 -0.393) 6.363 13.259 ( -3.292 -9.409 -15.152) 18.137 14.797 ( -15.343 -19.579 20.407) 32.175 17.635 ( -15.230 -10.788 -18.481) 26.265 ======================= Grid point 432 (141/670) ======================= q-point: ( 0.42 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.726 ( 17.685 12.121 6.189) 22.315 5.094 ( 11.582 20.167 -0.598) 23.264 6.211 ( 11.143 25.603 -4.828) 28.337 6.893 ( 12.610 17.416 4.871) 22.047 7.684 ( -1.506 -1.941 -11.591) 11.849 9.421 ( 14.718 22.881 1.392) 27.241 9.984 ( 8.785 14.183 3.077) 16.964 11.047 ( 8.293 -5.473 0.686) 9.960 11.557 ( 6.903 11.881 1.552) 13.828 13.058 ( -4.324 -8.321 -12.236) 15.416 14.385 ( -18.811 -18.500 15.435) 30.567 17.232 ( -12.500 -13.316 -13.552) 22.743 ======================= Grid point 433 (142/670) ======================= q-point: ( 0.47 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.054 ( 8.324 8.342 2.623) 12.073 5.489 ( 14.832 17.932 -3.482) 23.530 6.582 ( 8.023 18.671 -3.320) 20.591 7.203 ( 2.613 16.459 -3.827) 17.099 7.605 ( -2.459 0.735 -0.338) 2.588 9.725 ( 4.017 12.855 -0.295) 13.471 10.269 ( 6.628 15.220 3.424) 16.950 11.146 ( 6.337 -3.103 -2.325) 7.429 11.890 ( 14.404 13.125 3.514) 19.801 12.916 ( -0.053 -4.749 -5.322) 7.133 13.931 ( -19.145 -15.699 7.119) 25.761 16.883 ( -8.627 -14.993 -7.809) 18.979 ======================= Grid point 434 (143/670) ======================= q-point: ( 0.53 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.213 ( 1.894 7.274 0.255) 7.521 5.889 ( 15.216 14.585 -7.174) 22.265 6.779 ( 1.683 6.217 -3.576) 7.367 7.251 ( -6.487 10.941 -6.666) 14.361 7.666 ( -2.458 12.958 8.526) 15.705 9.885 ( 3.430 9.688 -1.002) 10.327 10.505 ( 1.867 15.243 3.387) 15.726 11.174 ( 3.395 -4.194 -3.955) 6.690 12.154 ( 2.071 8.411 -3.490) 9.338 12.952 ( 4.121 -2.269 10.603) 11.600 13.564 ( -6.546 -10.352 -2.672) 12.536 16.612 ( -4.119 -14.633 -3.428) 15.584 ======================= Grid point 435 (144/670) ======================= q-point: ( 0.58 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.274 ( -1.894 5.857 -0.869) 6.217 6.164 ( 5.165 8.112 -14.749) 17.607 6.801 ( 2.250 2.291 1.026) 3.371 7.248 ( -5.684 10.284 0.931) 11.787 7.737 ( -9.555 15.810 5.811) 19.366 10.014 ( 1.784 7.127 -0.950) 7.408 10.611 ( -5.920 11.217 1.155) 12.736 11.197 ( 5.458 -2.783 -1.799) 6.386 12.135 ( -7.817 5.840 -9.368) 13.526 12.927 ( -6.926 -1.294 11.590) 13.564 13.570 ( 13.187 -8.548 0.595) 15.727 16.464 ( 3.031 -11.144 -0.797) 11.577 ======================= Grid point 436 (145/670) ======================= q-point: (-0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.257 ( -4.965 3.183 -1.559) 6.101 6.076 ( -11.622 0.202 -14.644) 18.696 7.010 ( 13.316 8.816 1.711) 16.061 7.224 ( -8.938 6.919 4.004) 11.991 7.679 ( -15.377 12.668 3.669) 20.258 10.045 ( -4.475 3.520 0.472) 5.713 10.549 ( -9.992 5.427 -1.647) 11.489 11.271 ( 3.690 -0.318 1.409) 3.962 12.002 ( -9.146 5.416 -12.999) 16.791 12.890 ( -1.356 3.070 7.524) 8.238 13.662 ( 7.505 -12.579 4.918) 15.451 16.518 ( 13.332 -5.691 1.618) 14.586 ======================= Grid point 437 (146/670) ======================= q-point: (-0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( -8.495 -1.403 -2.339) 8.922 5.778 ( -18.057 -0.025 -9.622) 20.461 7.095 ( -16.466 6.447 6.533) 18.851 7.284 ( 1.330 9.823 -8.407) 12.997 7.549 ( -5.042 4.287 7.795) 10.226 9.956 ( -8.769 2.052 2.322) 9.300 10.389 ( -12.729 2.105 -2.078) 13.068 11.280 ( -1.483 -3.892 0.389) 4.183 11.848 ( -11.654 5.568 -11.845) 17.524 12.983 ( 5.258 4.180 5.735) 8.833 13.646 ( 4.755 -10.230 2.769) 11.616 16.795 ( 21.731 -1.483 4.505) 22.243 ======================= Grid point 438 (147/670) ======================= q-point: (-0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.913 ( -14.192 -7.458 -3.189) 16.346 5.432 ( -21.570 2.319 -5.367) 22.348 6.831 ( -26.657 8.847 6.377) 28.802 7.081 ( -18.242 -1.584 -6.377) 19.389 7.732 ( 11.377 3.183 2.672) 12.112 9.825 ( -11.825 2.128 4.474) 12.821 10.153 ( -15.490 -0.319 -1.912) 15.611 11.126 ( -6.703 -11.773 -4.056) 14.142 11.652 ( -14.481 7.301 -4.729) 16.893 13.161 ( 9.319 3.556 1.721) 10.122 13.714 ( 11.254 -2.692 0.080) 11.571 17.211 ( 25.433 0.747 6.449) 26.248 ======================= Grid point 439 (148/670) ======================= q-point: (-0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.508 ( -22.197 -10.869 -2.839) 24.877 5.056 ( -25.668 2.735 -2.774) 25.962 6.428 ( -32.649 8.880 3.509) 34.016 6.708 ( -18.667 -8.238 -2.502) 20.557 7.909 ( 6.630 1.575 -1.346) 6.946 9.495 ( -31.887 -5.877 4.747) 32.769 9.881 ( -14.737 -0.914 -1.330) 14.825 10.934 ( 1.684 -7.658 -4.308) 8.947 11.503 ( -10.555 6.791 -0.866) 12.580 13.359 ( 10.781 3.149 -3.997) 11.921 13.963 ( 17.751 2.085 1.432) 17.930 17.674 ( 25.511 1.550 6.218) 26.304 ======================= Grid point 440 (149/670) ======================= q-point: (-0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( -29.623 -9.897 -0.782) 31.242 4.576 ( -33.719 0.798 -1.379) 33.757 5.983 ( -28.047 4.922 0.728) 28.485 6.277 ( -23.541 -7.876 0.470) 24.828 7.985 ( 2.173 1.132 -5.133) 5.688 8.700 ( -50.441 -12.648 4.732) 52.217 9.627 ( -14.566 -0.460 -0.763) 14.594 11.031 ( 13.060 -0.338 -1.925) 13.205 11.414 ( -6.164 3.879 -0.220) 7.286 13.557 ( 11.629 3.342 -7.563) 14.269 14.325 ( 20.739 3.118 4.168) 21.382 18.113 ( 23.145 1.038 3.478) 23.427 ======================= Grid point 441 (150/670) ======================= q-point: (-0.11 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -35.115 -5.825 2.779) 35.703 3.937 ( -42.101 -0.414 0.246) 42.103 5.613 ( -19.649 1.184 -1.457) 19.739 5.758 ( -32.359 -5.187 2.961) 32.905 7.611 ( -54.813 -6.449 -5.785) 55.494 8.076 ( -1.422 -1.899 3.409) 4.153 9.389 ( -13.216 0.079 -0.598) 13.230 11.263 ( 13.029 1.146 -0.991) 13.116 11.369 ( -2.222 1.192 -0.200) 2.530 13.766 ( 12.779 3.436 -9.893) 16.522 14.724 ( 21.258 2.162 7.380) 22.606 18.474 ( 19.127 -0.658 -1.600) 19.206 ======================= Grid point 442 (151/670) ======================= q-point: (-0.05 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -37.952 0.929 8.379) 38.877 3.198 ( -46.178 1.264 3.081) 46.298 5.073 ( -47.648 -1.134 4.419) 47.866 5.344 ( -13.257 -0.304 -1.975) 13.407 6.635 ( -52.275 0.539 -3.009) 52.364 8.093 ( 2.026 0.160 -1.041) 2.283 9.192 ( -10.641 1.052 0.008) 10.693 11.359 ( 0.946 -0.889 -0.469) 1.380 11.447 ( 7.514 1.057 -0.523) 7.606 13.975 ( 12.860 2.560 -14.279) 19.386 15.112 ( 20.004 0.022 11.167) 22.910 18.719 ( 14.089 -3.016 -8.779) 16.872 ======================= Grid point 447 (152/670) ======================= q-point: ( 0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 30.660 25.249) 39.718 2.788 ( 0.000 40.800 10.086) 42.028 4.880 ( 0.000 54.020 15.842) 56.295 5.138 ( -0.000 8.216 -5.926) 10.130 6.083 ( -0.000 45.672 -9.760) 46.703 8.048 ( -0.000 -0.053 -4.295) 4.295 9.032 ( -0.000 8.157 -1.101) 8.231 11.378 ( 0.000 -3.231 0.613) 3.289 11.454 ( -0.000 -4.886 -3.074) 5.773 13.477 ( -0.000 -1.552 -32.559) 32.596 15.568 ( 0.000 -18.438 16.383) 24.665 18.637 ( -0.000 -2.656 -20.055) 20.230 ======================= Grid point 448 (153/670) ======================= q-point: ( 0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 6.304 29.337 21.086) 36.674 3.354 ( 15.891 37.661 8.865) 41.826 5.244 ( 4.458 11.615 -6.415) 13.998 5.451 ( 7.957 37.817 11.672) 40.369 6.627 ( 11.915 50.993 -10.399) 53.389 8.057 ( 0.487 4.837 -2.272) 5.366 9.164 ( 5.417 9.823 -0.418) 11.226 11.349 ( -1.111 -3.352 -1.349) 3.780 11.367 ( -0.612 -7.555 -1.956) 7.828 13.373 ( 2.205 -5.132 -25.011) 25.627 15.401 ( -3.726 -20.809 17.568) 27.487 18.470 ( -7.778 -5.280 -19.164) 21.346 ======================= Grid point 449 (154/670) ======================= q-point: ( 0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 11.550 25.666 16.622) 32.687 4.034 ( 20.172 32.223 6.815) 38.622 5.473 ( 9.014 17.573 -7.472) 21.117 5.947 ( 11.098 26.078 8.263) 29.521 7.282 ( 16.526 33.874 -14.720) 40.463 8.209 ( 5.783 21.864 4.209) 23.005 9.387 ( 8.540 11.696 0.617) 14.495 11.191 ( -4.610 -11.424 -3.183) 12.724 11.365 ( 1.971 0.254 -0.405) 2.029 13.274 ( 1.608 -7.851 -18.945) 20.571 15.163 ( -6.864 -22.217 18.871) 29.947 18.159 ( -13.982 -7.979 -18.515) 24.534 ======================= Grid point 450 (155/670) ======================= q-point: ( 0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( 14.593 21.004 11.843) 28.184 4.642 ( 16.884 24.433 3.970) 29.964 5.834 ( 11.516 25.546 -7.343) 28.968 6.399 ( 14.323 19.911 6.542) 25.385 7.603 ( 6.650 6.750 -16.240) 18.803 8.764 ( 18.283 40.312 6.723) 44.772 9.669 ( 9.755 13.688 1.961) 16.922 10.990 ( -3.878 -12.066 -1.625) 12.778 11.431 ( 3.361 4.998 -1.229) 6.147 13.145 ( -0.526 -9.383 -15.406) 18.046 14.868 ( -9.899 -22.569 19.039) 31.142 17.747 ( -17.031 -10.784 -16.984) 26.359 ======================= Grid point 451 (156/670) ======================= q-point: ( 0.42 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.603 ( 15.097 15.523 7.605) 22.950 5.095 ( 12.118 19.336 -0.052) 22.820 6.254 ( 10.453 24.506 -4.945) 27.097 6.868 ( 15.762 21.653 3.476) 27.007 7.643 ( 1.017 1.278 -11.670) 11.784 9.448 ( 14.951 32.525 3.697) 35.987 9.984 ( 9.892 15.514 3.480) 18.726 10.867 ( 3.543 -9.573 0.101) 10.208 11.573 ( 5.441 10.776 -1.476) 12.162 12.984 ( -2.127 -9.036 -12.987) 15.963 14.517 ( -13.577 -21.654 16.603) 30.478 17.295 ( -16.223 -13.746 -13.664) 25.275 ======================= Grid point 452 (157/670) ======================= q-point: ( 0.47 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.976 ( 11.966 10.126 3.958) 16.167 5.455 ( 10.698 18.638 -3.747) 21.814 6.583 ( 8.073 13.140 -2.290) 15.591 7.305 ( 7.111 21.592 -6.783) 23.723 7.658 ( 1.632 8.707 0.787) 8.894 9.837 ( 1.568 19.412 1.285) 19.517 10.308 ( 8.529 16.405 4.240) 18.970 10.938 ( 11.892 -6.113 -0.728) 13.390 11.826 ( 10.299 15.037 -0.150) 18.226 12.841 ( -0.661 -6.478 -9.382) 11.420 14.106 ( -17.221 -19.108 11.352) 28.116 16.871 ( -12.195 -16.468 -8.867) 22.328 ======================= Grid point 453 (158/670) ======================= q-point: ( 0.53 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.217 ( 6.273 6.957 0.899) 9.410 5.800 ( 11.563 17.652 -7.201) 22.297 6.756 ( 4.299 2.747 -2.130) 5.528 7.389 ( -3.741 5.018 -5.873) 8.583 7.939 ( 1.092 31.238 5.731) 31.778 9.974 ( -1.693 13.008 -0.338) 13.122 10.608 ( 6.232 16.482 5.163) 18.361 11.036 ( 6.395 -5.974 -4.370) 9.782 12.158 ( 9.594 13.876 -0.851) 16.891 12.814 ( 6.865 -4.353 -1.261) 8.226 13.670 ( -17.305 -14.958 4.765) 23.365 16.526 ( -6.563 -17.700 -4.316) 19.364 ======================= Grid point 454 (159/670) ======================= q-point: ( 0.58 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.335 ( 1.144 5.108 -1.126) 5.354 6.108 ( 8.811 14.678 -12.398) 21.137 6.788 ( 0.809 -0.366 -0.880) 1.250 7.355 ( -2.502 0.316 3.804) 4.564 8.205 ( -10.773 35.592 2.650) 37.281 10.068 ( 0.290 9.643 -1.397) 9.748 10.816 ( -3.305 12.491 2.541) 13.168 11.054 ( 6.936 -3.524 -2.851) 8.286 12.311 ( -4.816 11.732 -6.573) 14.285 12.960 ( 9.853 -5.360 11.204) 15.854 13.338 ( -4.479 -11.206 -1.880) 12.213 16.297 ( 0.331 -16.001 -1.410) 16.067 ======================= Grid point 455 (160/670) ======================= q-point: (-0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.350 ( -3.087 2.551 -2.279) 4.608 6.219 ( -5.198 9.372 -15.168) 18.572 6.872 ( 9.026 3.881 0.238) 9.828 7.327 ( -1.590 -4.100 9.888) 10.822 8.266 ( -22.438 33.638 0.216) 40.436 10.142 ( -1.207 6.579 -0.870) 6.746 10.747 ( -9.510 2.659 -3.807) 10.584 11.197 ( 6.581 2.380 3.259) 7.720 12.233 ( -12.419 11.022 -8.728) 18.759 12.986 ( -3.899 0.487 8.005) 8.917 13.343 ( 14.640 -15.771 2.391) 21.651 16.242 ( 9.771 -11.423 0.359) 15.036 ======================= Grid point 456 (161/670) ======================= q-point: (-0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( -7.207 -0.933 -2.816) 7.794 6.068 ( -15.726 7.650 -10.148) 20.219 7.085 ( 9.010 0.929 -8.108) 12.156 7.315 ( 2.686 -2.345 16.168) 16.556 8.108 ( -31.241 27.236 -1.344) 41.468 10.132 ( -6.684 5.407 0.914) 8.646 10.585 ( -10.013 0.727 -4.039) 10.821 11.259 ( -0.291 -4.006 1.772) 4.391 12.112 ( -12.710 13.499 -7.368) 19.951 12.984 ( 0.211 1.840 4.486) 4.853 13.411 ( 10.555 -15.153 3.335) 18.765 16.412 ( 20.055 -6.434 2.172) 21.173 ======================= Grid point 457 (162/670) ======================= q-point: (-0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.071 ( -12.130 -4.031 -2.591) 13.042 5.810 ( -20.355 7.161 -5.829) 22.352 7.039 ( -5.103 -6.881 -0.693) 8.595 7.515 ( 7.642 5.930 5.058) 10.916 7.760 ( -32.326 16.111 -1.436) 36.147 10.055 ( -9.522 6.782 2.916) 12.049 10.389 ( -12.965 -0.232 -2.698) 13.245 11.116 ( -6.873 -11.936 -2.089) 13.931 11.990 ( -15.934 12.465 -3.040) 20.458 13.056 ( 5.986 0.546 0.825) 6.067 13.482 ( 11.547 -7.244 2.073) 13.788 16.775 ( 26.683 -3.087 3.386) 27.074 ======================= Grid point 458 (163/670) ======================= q-point: (-0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.765 ( -18.311 -5.051 -1.331) 19.041 5.490 ( -23.322 5.083 -3.193) 24.082 6.839 ( -11.194 -6.102 1.564) 12.845 7.200 ( -40.486 11.189 -1.831) 42.043 7.782 ( 9.978 1.221 0.011) 10.053 9.931 ( -18.301 5.216 4.832) 19.634 10.119 ( -16.040 -1.901 -1.979) 16.273 10.859 ( -5.210 -11.171 -3.244) 12.746 11.802 ( -16.737 7.796 -0.782) 18.480 13.194 ( 9.822 1.203 -4.530) 10.883 13.690 ( 16.529 -1.072 3.961) 17.030 17.232 ( 28.620 -1.480 2.716) 28.787 ======================= Grid point 459 (164/670) ======================= q-point: (-0.16 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.360 ( -24.982 -3.302 0.942) 25.216 5.097 ( -27.554 2.325 -1.486) 27.692 6.553 ( -19.056 -5.218 -3.896) 20.138 6.604 ( -36.612 5.784 4.087) 37.291 7.917 ( 5.644 0.887 -3.099) 6.499 9.418 ( -42.252 -4.029 2.506) 42.517 9.872 ( -14.350 0.205 0.484) 14.359 10.822 ( 8.796 -1.814 -1.500) 9.106 11.604 ( -12.483 3.164 -0.466) 12.886 13.368 ( 11.269 2.187 -7.728) 13.838 14.017 ( 20.159 0.551 6.810) 21.285 17.693 ( 27.094 -1.452 -0.217) 27.134 ======================= Grid point 460 (165/670) ======================= q-point: (-0.11 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -30.727 1.015 4.060) 31.011 4.591 ( -34.877 0.830 0.358) 34.889 6.015 ( -29.047 -1.646 -4.305) 29.410 6.218 ( -24.859 1.024 4.530) 25.289 7.974 ( 1.170 1.857 -6.876) 7.217 8.580 ( -52.590 -2.109 4.128) 52.793 9.629 ( -14.867 0.516 0.607) 14.888 11.028 ( 14.528 0.810 -0.654) 14.565 11.453 ( -7.080 0.082 -0.289) 7.086 13.557 ( 11.928 2.320 -9.197) 15.239 14.399 ( 21.757 -0.254 9.838) 23.880 18.089 ( 23.333 -2.794 -5.159) 24.059 ======================= Grid point 461 (166/670) ======================= q-point: (-0.05 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -34.422 7.372 7.947) 36.088 3.965 ( -41.341 2.117 3.132) 41.513 5.577 ( -19.743 -1.837 -4.362) 20.302 5.783 ( -32.280 4.176 4.859) 32.910 7.600 ( -54.592 9.360 -6.892) 55.815 8.071 ( -1.410 -0.638 2.764) 3.168 9.404 ( -13.010 1.382 1.000) 13.122 11.256 ( 11.067 -0.860 -1.504) 11.202 11.377 ( -0.696 -0.516 0.485) 0.992 13.745 ( 12.030 1.407 -11.350) 16.599 14.790 ( 21.685 -2.381 13.397) 25.600 18.374 ( 18.350 -4.883 -11.554) 22.227 ======================= Grid point 467 (167/670) ======================= q-point: ( 0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 0.000 29.270 17.981) 34.352 3.602 ( 0.000 36.562 8.847) 37.617 5.285 ( -0.000 11.548 -6.729) 13.366 5.768 ( 0.000 32.146 8.712) 33.305 6.982 ( -0.000 46.643 -12.673) 48.334 8.139 ( -0.000 15.560 1.048) 15.596 9.218 ( -0.000 11.540 -0.137) 11.541 11.278 ( -0.000 -10.547 -3.923) 11.253 11.322 ( 0.000 -2.774 0.171) 2.779 13.231 ( -0.000 -5.227 -21.081) 21.719 15.276 ( 0.000 -22.785 16.795) 28.306 18.419 ( -0.000 -7.193 -17.564) 18.980 ======================= Grid point 468 (168/670) ======================= q-point: ( 0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( 3.780 26.581 14.874) 30.693 4.081 ( 12.709 31.205 7.094) 34.432 5.457 ( 8.164 15.970 -6.920) 19.224 6.100 ( 3.624 25.193 5.485) 26.037 7.348 ( 5.468 25.201 -15.508) 30.091 8.418 ( 3.797 35.284 5.605) 35.928 9.386 ( 5.607 13.019 0.610) 14.188 11.131 ( -2.978 -11.847 -3.172) 12.620 11.320 ( 2.467 -1.213 -0.387) 2.776 13.125 ( 0.853 -6.116 -16.854) 17.950 15.078 ( -3.009 -23.954 16.574) 29.284 18.212 ( -8.390 -9.393 -16.401) 20.679 ======================= Grid point 469 (169/670) ======================= q-point: ( 0.37 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 7.652 22.095 11.481) 26.049 4.606 ( 15.507 22.695 4.106) 27.792 5.831 ( 15.167 24.480 -6.787) 29.587 6.414 ( 7.557 18.405 3.612) 20.221 7.538 ( 4.297 9.173 -14.192) 17.436 8.954 ( 10.517 43.232 5.970) 44.891 9.650 ( 9.232 14.497 1.783) 17.279 10.944 ( -4.683 -11.068 -1.665) 12.133 11.388 ( 5.470 2.545 -1.199) 6.151 13.020 ( -0.233 -6.915 -13.835) 15.469 14.826 ( -5.571 -24.281 16.232) 29.733 17.861 ( -14.927 -11.671 -15.008) 24.171 ======================= Grid point 470 (170/670) ======================= q-point: ( 0.42 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( 10.005 16.877 7.711) 21.080 5.048 ( 14.131 16.466 0.597) 21.707 6.304 ( 10.837 25.011 -5.367) 27.781 6.785 ( 17.412 18.019 0.987) 25.077 7.614 ( 1.911 5.531 -9.518) 11.173 9.562 ( 12.777 35.221 4.106) 37.691 9.973 ( 10.738 15.582 3.592) 19.262 10.773 ( -3.274 -8.442 -0.540) 9.070 11.549 ( 8.185 8.312 -2.098) 11.853 12.894 ( -1.840 -6.601 -11.626) 13.495 14.529 ( -8.267 -23.661 14.860) 29.137 17.411 ( -18.066 -14.061 -12.718) 26.188 ======================= Grid point 471 (171/670) ======================= q-point: ( 0.47 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.904 ( 10.299 11.496 4.149) 15.983 5.418 ( 12.759 15.254 -2.823) 20.086 6.582 ( 4.687 11.084 -2.266) 12.245 7.302 ( 15.278 21.184 -8.258) 27.393 7.709 ( 5.525 12.902 1.551) 14.121 10.016 ( 4.784 23.197 2.374) 23.804 10.323 ( 10.761 15.857 5.213) 19.860 10.703 ( 4.954 -6.412 -0.884) 8.151 11.804 ( 9.928 14.270 -2.679) 17.589 12.770 ( -1.841 -4.939 -9.146) 10.556 14.188 ( -11.555 -21.738 11.888) 27.338 16.928 ( -17.033 -16.430 -9.259) 25.412 ======================= Grid point 472 (172/670) ======================= q-point: ( 0.53 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( 8.370 6.996 1.027) 10.957 5.758 ( 11.696 15.858 -6.105) 20.629 6.703 ( 3.517 2.162 -0.961) 4.239 7.466 ( -2.206 5.674 -6.099) 8.617 8.164 ( 13.325 33.598 4.122) 36.378 10.185 ( -5.476 15.565 0.685) 16.514 10.651 ( 8.435 15.213 5.739) 18.317 10.802 ( 12.325 -6.438 -2.254) 14.087 12.120 ( 10.673 15.910 -2.278) 19.293 12.694 ( 1.020 -3.611 -6.022) 7.095 13.807 ( -14.514 -18.165 7.879) 24.550 16.489 ( -12.172 -18.062 -5.248) 22.404 ======================= Grid point 473 (173/670) ======================= q-point: ( 0.58 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.322 ( 4.818 3.889 -1.370) 6.342 6.069 ( 9.982 15.814 -9.609) 21.025 6.753 ( 2.354 -0.729 0.060) 2.465 7.421 ( -4.789 0.218 1.985) 5.188 8.668 ( 2.214 38.719 1.632) 38.816 10.208 ( -5.809 11.035 -1.168) 12.525 10.880 ( 7.038 -5.057 -5.031) 10.021 10.953 ( 5.187 13.892 7.186) 16.478 12.419 ( 7.099 13.999 -2.663) 15.920 12.696 ( 7.307 -7.619 -1.483) 10.660 13.430 ( -14.051 -12.604 4.347) 19.370 16.159 ( -4.784 -17.666 -2.020) 18.413 ======================= Grid point 474 (174/670) ======================= q-point: ( 0.63 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.385 ( 0.378 1.505 -2.682) 3.099 6.308 ( 3.822 14.987 -12.898) 20.139 6.795 ( 3.583 0.888 0.659) 3.749 7.340 ( -3.491 -5.648 8.536) 10.815 8.951 ( -14.350 38.679 0.034) 41.256 10.220 ( -1.922 6.587 -1.628) 7.052 10.853 ( -3.009 -1.943 -5.604) 6.651 11.170 ( 3.236 9.186 6.195) 11.543 12.522 ( -8.932 13.850 -6.362) 17.666 12.820 ( 19.742 -16.153 6.024) 26.210 13.164 ( -8.120 -5.132 1.566) 9.733 15.993 ( 4.423 -14.483 -0.225) 15.145 ======================= Grid point 475 (175/670) ======================= q-point: (-0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.347 ( -4.358 -0.472 -2.747) 5.173 6.359 ( -9.653 13.644 -10.788) 19.892 6.916 ( 8.896 1.562 -5.023) 10.335 7.275 ( 0.887 -8.589 14.061) 16.501 8.917 ( -29.787 31.447 -0.967) 43.325 10.260 ( -0.939 6.502 -0.494) 6.588 10.725 ( -8.595 -0.098 -4.600) 9.749 11.242 ( -1.337 -1.768 2.901) 3.651 12.453 ( -11.773 14.730 -2.810) 19.065 13.013 ( 18.509 -15.132 5.274) 24.482 13.039 ( -4.023 -2.467 -0.399) 4.736 16.040 ( 15.108 -9.521 0.786) 17.875 ======================= Grid point 476 (176/670) ======================= q-point: (-0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.216 ( -9.116 -1.532 -1.733) 9.405 6.205 ( -18.700 10.517 -6.437) 22.399 6.990 ( 2.476 -4.417 -5.793) 7.694 7.359 ( 10.836 -2.509 10.572) 15.345 8.579 ( -38.969 19.699 -1.074) 43.678 10.286 ( -6.305 10.067 1.674) 11.996 10.552 ( -9.435 -1.407 -3.248) 10.078 11.114 ( -6.601 -10.357 -0.411) 12.289 12.385 ( -15.094 14.700 -0.165) 21.070 12.972 ( 2.080 -4.572 -3.024) 5.863 13.194 ( 15.047 -7.743 4.671) 17.555 16.309 ( 24.341 -5.069 1.201) 24.892 ======================= Grid point 477 (177/670) ======================= q-point: (-0.21 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.006 ( -14.084 -1.127 0.022) 14.129 5.916 ( -22.685 5.526 -3.493) 23.608 6.913 ( -4.361 -4.005 -2.410) 6.392 7.581 ( 12.759 -0.311 2.934) 13.096 8.020 ( -42.792 8.642 -0.548) 43.659 10.246 ( -10.783 8.812 4.023) 14.495 10.350 ( -13.078 -2.147 -2.190) 13.432 10.869 ( -8.659 -9.165 -1.743) 12.729 12.184 ( -20.149 6.145 -0.435) 21.070 13.027 ( 8.363 -0.493 -5.402) 9.968 13.418 ( 15.922 -2.395 5.785) 17.109 16.729 ( 29.006 -2.509 0.161) 29.114 ======================= Grid point 478 (178/670) ======================= q-point: (-0.16 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( -19.425 1.067 2.250) 19.584 5.544 ( -24.644 1.396 -1.654) 24.739 6.753 ( -11.059 -1.372 -3.112) 11.570 7.331 ( -42.745 1.189 2.251) 42.821 7.784 ( 9.767 -0.225 -2.076) 9.987 9.989 ( -26.737 -4.328 -1.324) 27.117 10.111 ( -13.735 2.981 3.971) 14.605 10.739 ( -0.631 1.810 -0.462) 1.971 11.879 ( -18.253 0.066 -0.784) 18.270 13.175 ( 10.687 1.385 -7.791) 13.298 13.716 ( 18.511 -0.613 8.380) 20.328 17.196 ( 29.133 -1.962 -2.755) 29.329 ======================= Grid point 479 (179/670) ======================= q-point: (-0.11 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( -24.682 5.192 4.735) 25.662 5.111 ( -27.498 -0.422 -0.134) 27.502 6.444 ( -24.711 -2.842 -7.419) 25.957 6.704 ( -30.967 1.483 6.763) 31.732 7.905 ( 5.888 0.279 -4.477) 7.402 9.390 ( -40.941 0.487 -0.124) 40.944 9.891 ( -15.255 0.719 2.287) 15.442 10.848 ( 8.050 4.683 1.124) 9.381 11.603 ( -12.478 -2.692 -0.495) 12.774 13.348 ( 11.635 1.188 -9.084) 14.809 14.068 ( 20.654 -1.498 11.266) 23.575 17.622 ( 26.147 -3.092 -7.304) 27.323 ======================= Grid point 480 (180/670) ======================= q-point: (-0.05 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( -28.925 10.967 7.167) 31.753 4.610 ( -32.828 0.502 2.086) 32.898 5.917 ( -26.325 -3.946 -5.343) 27.150 6.325 ( -25.306 5.997 4.914) 26.467 7.962 ( 2.107 1.442 -7.761) 8.170 8.675 ( -49.159 9.181 2.294) 50.061 9.654 ( -14.531 1.303 1.853) 14.706 11.056 ( 11.269 2.359 0.654) 11.532 11.417 ( -6.091 -3.438 0.007) 6.994 13.521 ( 11.773 0.096 -10.103) 15.514 14.440 ( 21.699 -3.841 14.626) 26.449 17.949 ( 21.488 -5.224 -12.916) 25.609 ======================= Grid point 487 (181/670) ======================= q-point: ( 0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.099 ( 0.000 24.978 11.104) 27.335 4.277 ( 0.000 26.985 7.194) 27.927 5.516 ( -0.000 17.327 -6.230) 18.413 6.314 ( -0.000 21.461 2.127) 21.566 7.450 ( -0.000 14.772 -14.122) 20.436 8.790 ( -0.000 43.266 5.455) 43.608 9.470 ( -0.000 14.042 1.034) 14.080 11.042 ( -0.000 -10.147 -2.033) 10.348 11.277 ( -0.000 -1.763 -0.543) 1.844 13.020 ( -0.000 -4.296 -13.807) 14.460 14.917 ( 0.000 -24.705 14.779) 28.788 18.134 ( -0.000 -11.411 -14.824) 18.707 ======================= Grid point 488 (182/670) ======================= q-point: ( 0.37 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 2.186 21.125 8.640) 22.928 4.612 ( 9.284 19.500 4.350) 22.031 5.791 ( 12.555 22.677 -5.193) 26.436 6.511 ( 1.891 15.400 -0.792) 15.536 7.542 ( 1.606 10.141 -10.738) 14.857 9.251 ( 4.611 39.324 3.876) 39.783 9.665 ( 6.017 14.874 1.786) 16.144 10.926 ( -3.640 -6.329 -0.120) 7.302 11.304 ( 5.000 0.139 -0.987) 5.098 12.943 ( -0.851 -2.389 -11.034) 11.322 14.703 ( -2.498 -24.571 13.278) 28.041 17.895 ( -8.533 -13.457 -13.336) 20.779 ======================= Grid point 489 (183/670) ======================= q-point: ( 0.42 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.636 ( 4.975 16.270 6.116) 18.080 4.963 ( 12.752 13.184 1.079) 18.374 6.300 ( 17.929 26.419 -4.858) 32.296 6.691 ( 8.316 10.035 -2.376) 13.248 7.632 ( 1.334 9.326 -6.184) 11.270 9.697 ( 8.764 26.854 1.820) 28.307 9.955 ( 9.892 14.921 3.310) 18.205 10.810 ( -5.946 -0.685 0.669) 6.022 11.449 ( 10.110 4.596 -1.344) 11.186 12.868 ( -3.101 0.141 -8.634) 9.175 14.449 ( -4.787 -23.644 11.633) 26.782 17.515 ( -15.109 -15.281 -11.464) 24.356 ======================= Grid point 490 (184/670) ======================= q-point: ( 0.47 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.884 ( 6.804 11.345 3.302) 13.635 5.305 ( 14.504 10.950 -1.446) 18.230 6.617 ( 2.319 9.320 -3.760) 10.313 7.150 ( 24.872 22.133 -6.045) 33.839 7.745 ( 3.599 10.829 0.731) 11.434 10.059 ( 11.167 12.733 -0.217) 16.937 10.282 ( 10.949 12.440 6.357) 17.750 10.728 ( -6.437 5.700 -0.777) 8.634 11.718 ( 13.905 10.018 -2.198) 17.278 12.786 ( -5.363 2.699 -6.262) 8.675 14.163 ( -7.223 -21.974 9.510) 25.009 17.042 ( -18.292 -16.652 -8.915) 26.294 ======================= Grid point 491 (185/670) ======================= q-point: ( 0.53 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.097 ( 7.179 6.959 0.743) 10.026 5.649 ( 14.892 11.039 -3.769) 18.917 6.681 ( 1.300 2.034 -1.841) 3.036 7.536 ( 1.645 11.256 -6.672) 13.188 8.150 ( 23.325 25.301 4.628) 34.722 10.304 ( 8.404 3.621 -1.429) 9.262 10.577 ( 9.347 5.443 8.049) 13.483 10.727 ( -1.423 12.623 -1.935) 12.850 12.068 ( 14.101 14.295 -3.500) 20.382 12.700 ( -6.009 2.608 -4.232) 7.799 13.847 ( -9.750 -19.617 7.107) 23.030 16.552 ( -17.238 -17.149 -5.780) 24.993 ======================= Grid point 492 (186/670) ======================= q-point: ( 0.58 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.259 ( 6.037 3.606 -1.224) 7.138 5.984 ( 13.685 11.755 -6.056) 19.030 6.710 ( 1.924 -0.333 0.294) 1.975 7.538 ( -6.345 3.804 -0.556) 7.419 8.827 ( 20.198 31.467 1.530) 37.423 10.384 ( -1.237 2.203 -1.264) 2.825 10.724 ( 5.070 4.108 -3.950) 7.628 10.956 ( 10.373 10.506 9.223) 17.408 12.392 ( 7.031 13.190 -2.968) 15.238 12.618 ( -1.477 -0.413 -4.692) 4.936 13.518 ( -10.769 -16.012 5.371) 20.030 16.126 ( -12.012 -16.244 -2.739) 20.388 ======================= Grid point 493 (187/670) ======================= q-point: ( 0.63 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.357 ( 3.345 1.400 -2.234) 4.259 6.285 ( 10.827 12.573 -8.245) 18.528 6.750 ( 2.957 -0.227 1.532) 3.338 7.422 ( -8.617 -2.280 3.982) 9.763 9.378 ( 6.858 32.907 -0.127) 33.614 10.332 ( -5.305 1.140 -1.215) 5.561 10.814 ( 2.564 3.167 -4.810) 6.304 11.257 ( 6.554 12.302 8.753) 16.460 12.414 ( 4.386 -16.399 -0.481) 16.982 12.711 ( 1.010 13.937 -5.902) 15.169 13.252 ( -7.405 -8.620 4.213) 12.120 15.841 ( -3.541 -13.661 -0.685) 14.129 ======================= Grid point 494 (188/670) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.380 ( -0.686 0.290 -2.016) 2.150 6.520 ( 4.427 14.224 -9.708) 17.781 6.812 ( 3.636 0.580 -0.601) 3.731 7.256 ( -6.004 -8.827 9.075) 14.011 9.617 ( -16.454 28.380 -0.925) 32.818 10.283 ( 1.476 0.715 -0.793) 1.821 10.825 ( -3.122 2.032 -2.752) 4.632 11.359 ( -9.872 7.411 2.981) 12.699 12.424 ( 20.795 -21.453 2.291) 29.965 12.781 ( -4.326 11.371 -2.641) 12.449 13.124 ( -5.273 -1.387 1.269) 5.598 15.757 ( 7.165 -9.323 0.185) 11.759 ======================= Grid point 495 (189/670) ======================= q-point: (-0.26 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.328 ( -5.275 0.213 -0.739) 5.331 6.575 ( -13.243 13.585 -7.274) 20.318 6.862 ( 5.362 -2.649 -5.815) 8.341 7.195 ( 6.548 -8.314 11.550) 15.665 9.364 ( -34.704 13.171 -0.669) 37.126 10.388 ( 4.797 5.660 -0.310) 7.426 10.719 ( -11.112 1.486 -0.088) 11.211 11.168 ( -11.050 -4.844 -0.720) 12.087 12.628 ( 11.205 -4.479 2.691) 12.363 12.819 ( 0.946 5.854 -3.688) 6.983 13.021 ( -2.301 -3.599 2.304) 4.854 15.904 ( 17.915 -4.277 0.139) 18.419 ======================= Grid point 496 (190/670) ======================= q-point: (-0.21 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.208 ( -9.724 1.108 1.072) 9.846 6.324 ( -21.870 3.285 -3.071) 22.328 6.903 ( 1.796 0.812 -5.261) 5.618 7.349 ( 13.547 -3.864 5.174) 15.007 8.781 ( -41.456 0.648 0.176) 41.462 10.449 ( -4.044 -5.805 -1.964) 7.342 10.525 ( -11.690 7.242 4.608) 14.503 10.965 ( -8.835 -0.261 -1.899) 9.041 12.531 ( -16.069 -2.140 -1.578) 16.288 12.896 ( 4.644 3.304 -4.914) 7.525 13.149 ( 15.974 -1.935 6.411) 17.321 16.248 ( 25.363 -0.884 -1.026) 25.399 ======================= Grid point 497 (191/670) ======================= q-point: (-0.16 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.036 ( -13.879 3.036 2.976) 14.516 5.941 ( -23.406 -1.448 -1.075) 23.475 6.883 ( -5.069 3.363 -5.064) 7.915 7.561 ( 13.709 -2.745 0.497) 13.990 8.038 ( -42.605 -7.153 1.388) 43.224 10.191 ( -12.116 -9.726 -1.672) 15.627 10.417 ( -13.454 2.492 4.720) 14.474 10.881 ( -7.022 11.085 -0.518) 13.132 12.178 ( -19.538 -5.209 -0.945) 20.242 13.005 ( 7.690 1.781 -6.923) 10.500 13.445 ( 16.868 0.355 7.770) 18.575 16.691 ( 28.036 -0.047 -3.604) 28.267 ======================= Grid point 498 (192/670) ======================= q-point: (-0.11 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.827 ( -17.784 6.248 4.738) 19.436 5.522 ( -24.052 -2.298 -0.069) 24.161 6.741 ( -14.625 2.416 -6.936) 16.366 7.281 ( -37.346 -7.629 5.153) 38.464 7.746 ( 10.796 -1.884 -3.673) 11.558 9.854 ( -18.627 -6.129 -2.725) 19.798 10.182 ( -16.965 0.897 4.049) 17.465 10.914 ( -4.042 13.378 2.221) 14.151 11.813 ( -17.154 -5.231 0.530) 17.942 13.139 ( 10.181 -0.004 -8.680) 13.379 13.763 ( 18.155 -1.031 9.950) 20.728 17.130 ( 26.671 -1.292 -7.443) 27.720 ======================= Grid point 499 (193/670) ======================= q-point: (-0.05 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.600 ( -21.341 11.022 6.136) 24.791 5.094 ( -25.784 -0.831 0.938) 25.815 6.323 ( -28.488 -5.013 -6.247) 29.592 6.788 ( -22.667 3.912 5.241) 23.591 7.864 ( 6.964 -1.074 -6.121) 9.334 9.426 ( -30.021 3.580 -2.014) 30.301 9.924 ( -15.710 0.944 2.898) 16.003 11.010 ( 0.721 9.961 3.141) 10.469 11.525 ( -11.912 -4.397 1.466) 12.782 13.285 ( 11.572 -1.584 -9.773) 15.230 14.095 ( 20.045 -4.171 13.014) 24.261 17.490 ( 22.817 -3.824 -12.090) 26.104 ======================= Grid point 507 (194/670) ======================= q-point: ( 0.37 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.569 ( 0.000 18.112 4.904) 18.764 4.712 ( 0.000 14.629 3.869) 15.132 5.880 ( -0.000 22.962 -3.489) 23.226 6.614 ( -0.000 10.192 -4.540) 11.157 7.606 ( -0.000 11.382 -6.632) 13.174 9.552 ( -0.000 28.098 1.172) 28.123 9.762 ( -0.000 14.957 2.019) 15.092 10.938 ( 0.000 0.863 2.573) 2.714 11.246 ( -0.000 -0.788 -1.339) 1.554 12.926 ( -0.000 3.288 -7.845) 8.506 14.529 ( 0.000 -23.532 10.591) 25.805 17.787 ( -0.000 -15.474 -11.866) 19.500 ======================= Grid point 508 (195/670) ======================= q-point: ( 0.42 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 1.451 13.842 3.142) 14.268 4.905 ( 7.459 10.007 1.374) 12.556 6.231 ( 15.432 24.106 -2.536) 28.735 6.678 ( 1.435 4.992 -6.000) 7.936 7.708 ( 0.288 11.837 -3.068) 12.231 9.791 ( 3.958 14.649 -0.923) 15.203 9.968 ( 6.312 14.604 2.811) 16.156 10.937 ( -4.974 5.460 2.742) 7.878 11.313 ( 8.350 1.328 -0.795) 8.493 12.944 ( -2.885 8.945 -4.733) 10.524 14.322 ( -2.423 -21.216 8.079) 22.831 17.523 ( -8.289 -17.096 -10.241) 21.584 ======================= Grid point 509 (196/670) ======================= q-point: ( 0.47 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( 3.545 9.631 1.572) 10.383 5.159 ( 12.565 7.585 -0.318) 14.680 6.644 ( 2.907 7.539 -4.671) 9.333 6.893 ( 25.597 18.343 -3.657) 31.702 7.815 ( 0.416 10.385 0.229) 10.396 9.969 ( 7.191 4.477 -1.991) 8.702 10.254 ( 9.617 13.037 4.852) 16.911 10.909 ( -5.912 7.585 -0.146) 9.618 11.533 ( 14.714 3.755 -0.219) 15.187 12.958 ( -6.905 12.432 -2.054) 14.369 14.092 ( -5.184 -17.928 5.624) 19.492 17.129 ( -14.507 -17.754 -8.192) 24.347 ======================= Grid point 510 (197/670) ======================= q-point: ( 0.53 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( 5.033 6.012 0.156) 7.842 5.465 ( 15.789 6.899 -1.424) 17.289 6.675 ( 0.509 1.130 -2.890) 3.144 7.524 ( 18.567 19.750 -6.670) 27.916 7.988 ( 14.002 10.570 5.377) 18.349 10.114 ( 9.454 -1.501 -2.521) 9.898 10.537 ( 8.589 8.108 7.545) 14.016 10.903 ( -4.337 10.930 -2.872) 12.105 11.867 ( 19.741 5.925 -1.298) 20.652 12.925 ( -11.103 11.986 -0.413) 16.344 13.836 ( -8.396 -15.036 3.475) 17.569 16.667 ( -17.388 -16.805 -5.682) 24.840 ======================= Grid point 511 (198/670) ======================= q-point: ( 0.58 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( 5.433 3.267 -0.770) 6.386 5.801 ( 16.859 6.932 -2.368) 18.382 6.686 ( 0.931 -0.002 -0.526) 1.069 7.690 ( -5.343 7.547 -2.775) 9.655 8.620 ( 33.954 19.478 2.650) 39.234 10.235 ( 9.434 -5.124 -2.456) 11.013 10.735 ( 5.841 5.314 3.753) 8.743 10.971 ( 0.400 10.704 1.427) 10.806 12.279 ( 20.522 9.424 -3.041) 22.786 12.800 ( -15.721 7.838 -0.556) 17.575 13.545 ( -10.326 -14.234 2.572) 17.773 16.216 ( -16.373 -13.908 -3.072) 21.701 ======================= Grid point 512 (199/670) ======================= q-point: ( 0.63 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( 4.626 1.548 -1.126) 5.007 6.136 ( 15.898 7.177 -3.109) 17.718 6.708 ( 1.978 -0.376 1.222) 2.355 7.590 ( -10.402 1.556 -0.143) 10.518 9.349 ( 27.231 20.816 0.539) 34.280 10.296 ( 4.824 -6.708 -0.992) 8.322 10.870 ( 0.292 10.583 -5.799) 12.071 11.155 ( 13.580 2.647 10.499) 17.368 12.500 ( -21.311 0.478 -2.083) 21.417 12.692 ( 13.757 10.315 -4.762) 17.841 13.270 ( -6.902 -12.277 3.681) 14.557 15.855 ( -11.680 -9.819 -1.075) 15.297 ======================= Grid point 513 (200/670) ======================= q-point: ( 0.68 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.365 ( 2.458 0.873 -0.817) 2.733 6.441 ( 13.280 7.413 -3.840) 15.686 6.757 ( 3.792 -0.429 2.033) 4.323 7.385 ( -13.108 -3.092 1.234) 13.524 9.889 ( 13.300 19.267 -0.603) 23.419 10.247 ( -2.302 -8.014 0.250) 8.341 10.897 ( -3.627 5.557 -2.850) 7.222 11.554 ( 19.480 11.193 7.108) 23.564 12.037 ( -18.686 -17.150 -3.248) 25.570 12.916 ( 0.251 9.427 -3.876) 10.196 13.141 ( 0.860 -5.923 3.180) 6.777 15.650 ( -3.262 -5.283 -0.113) 6.210 ======================= Grid point 514 (201/670) ======================= q-point: (-0.26 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.386 ( -1.019 1.080 0.197) 1.498 6.688 ( 9.752 5.968 -5.094) 12.517 6.829 ( 1.321 2.436 1.221) 3.028 7.127 ( -9.937 -7.980 3.173) 13.134 9.930 ( -23.340 1.087 -0.292) 23.367 10.264 ( 11.855 -0.233 -0.236) 11.859 10.866 ( -4.003 1.786 1.646) 4.682 11.454 ( -25.392 -1.941 -1.852) 25.533 12.149 ( 31.153 -1.057 0.280) 31.172 12.913 ( -2.907 1.301 1.002) 3.339 13.107 ( -4.962 -0.549 -0.577) 5.026 15.661 ( 7.861 -0.171 -0.097) 7.863 ======================= Grid point 515 (202/670) ======================= q-point: (-0.21 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( -5.095 1.805 1.629) 5.645 6.656 ( -16.289 -5.354 0.926) 17.172 6.875 ( 2.466 11.433 -8.869) 14.678 7.096 ( 11.906 -7.845 5.931) 15.442 9.375 ( -34.636 -12.159 0.356) 36.710 10.381 ( 3.593 -5.520 -0.791) 6.634 10.782 ( -10.053 2.021 6.013) 11.887 11.134 ( -10.384 2.902 -4.063) 11.522 12.546 ( 8.964 1.010 -4.540) 10.099 12.917 ( 7.692 -5.540 3.729) 10.187 12.986 ( -6.881 5.098 0.098) 8.564 15.893 ( 17.348 3.549 -0.937) 17.732 ======================= Grid point 516 (203/670) ======================= q-point: (-0.16 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( -8.796 2.746 2.948) 9.675 6.284 ( -21.073 -4.998 1.329) 21.699 6.963 ( -0.576 8.386 -8.912) 12.251 7.281 ( 14.947 -5.655 3.380) 16.334 8.603 ( -38.414 -18.882 1.392) 42.826 10.255 ( -7.582 -9.502 -1.410) 12.237 10.649 ( -10.734 1.549 6.476) 12.631 11.085 ( -3.848 9.892 -3.353) 11.131 12.392 ( -13.917 -8.362 0.782) 16.255 12.929 ( 1.172 1.500 -6.390) 6.668 13.214 ( 15.827 4.597 5.377) 17.336 16.268 ( 22.757 4.168 -2.770) 23.301 ======================= Grid point 517 (204/670) ======================= q-point: (-0.11 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.136 ( -11.541 3.940 3.766) 12.763 5.886 ( -22.316 -2.679 1.633) 22.536 6.942 ( -7.580 5.770 -8.637) 12.859 7.487 ( 14.617 -4.845 -0.130) 15.400 7.794 ( -35.946 -17.885 2.866) 40.252 10.007 ( -11.042 -6.800 -1.986) 13.119 10.461 ( -14.482 -0.721 4.494) 15.181 11.126 ( -3.259 11.085 -1.141) 11.610 12.066 ( -17.040 -5.026 4.626) 18.358 12.970 ( 5.898 -1.116 -6.891) 9.139 13.519 ( 14.466 2.692 4.674) 15.439 16.684 ( 24.007 2.271 -5.597) 24.755 ======================= Grid point 518 (205/670) ======================= q-point: (-0.05 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( -13.159 5.714 3.982) 14.889 5.506 ( -23.320 1.738 1.777) 23.452 6.691 ( -22.408 -4.087 -7.218) 23.894 7.188 ( -22.448 -3.152 4.139) 23.043 7.663 ( 12.058 -4.005 -4.254) 13.399 9.753 ( -13.299 -2.195 -2.668) 13.741 10.204 ( -15.813 -0.850 3.107) 16.138 11.169 ( -3.304 9.403 0.316) 9.971 11.773 ( -17.833 0.806 7.200) 19.249 13.055 ( 9.288 -2.963 -7.731) 12.442 13.790 ( 15.890 -2.020 6.652) 17.344 17.054 ( 21.921 -1.080 -9.092) 23.756 ======================= Grid point 527 (206/670) ======================= q-point: ( 0.42 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.859 ( -0.000 10.284 0.531) 10.297 4.928 ( 0.000 7.119 1.185) 7.217 6.304 ( -0.000 21.257 -1.119) 21.286 6.680 ( -0.000 1.994 -6.698) 6.988 7.818 ( -0.000 12.140 -1.123) 12.192 9.853 ( -0.000 6.792 -2.214) 7.144 10.059 ( 0.000 13.828 2.493) 14.051 11.063 ( 0.000 5.863 4.710) 7.521 11.225 ( -0.000 -0.393 -1.882) 1.922 13.080 ( -0.000 14.373 -0.860) 14.398 14.183 ( 0.000 -15.624 4.560) 16.276 17.388 ( -0.000 -18.613 -8.891) 20.627 ======================= Grid point 528 (207/670) ======================= q-point: ( 0.47 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.952 ( 1.380 6.884 -0.105) 7.021 5.051 ( 7.269 5.161 0.351) 8.922 6.626 ( 10.325 13.749 -2.058) 17.317 6.696 ( 8.128 5.468 -4.231) 10.671 7.921 ( -0.665 10.065 0.016) 10.086 9.914 ( 2.732 2.894 -2.533) 4.717 10.250 ( 6.391 12.062 3.074) 13.993 11.054 ( -4.876 3.948 0.925) 6.342 11.331 ( 10.855 -0.109 0.868) 10.890 13.183 ( -3.871 12.159 2.013) 12.918 14.055 ( -3.867 -6.520 1.301) 7.692 17.115 ( -7.603 -18.812 -7.176) 21.522 ======================= Grid point 529 (208/670) ======================= q-point: ( 0.53 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.042 ( 3.097 4.323 -0.211) 5.322 5.269 ( 13.160 4.138 0.158) 13.796 6.664 ( 0.501 0.371 -2.719) 2.790 7.240 ( 30.587 16.720 -2.618) 34.957 7.986 ( -0.598 5.846 1.614) 6.094 9.986 ( 4.683 0.721 -2.431) 5.326 10.489 ( 8.107 7.231 4.739) 11.852 11.037 ( -2.609 6.990 -2.332) 7.817 11.567 ( 17.755 -0.747 1.612) 17.844 13.188 ( -6.672 5.619 3.077) 9.250 13.919 ( -10.349 1.288 -1.033) 10.479 16.746 ( -12.969 -16.602 -5.012) 21.655 ======================= Grid point 530 (209/670) ======================= q-point: ( 0.58 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.137 ( 4.268 2.471 0.035) 4.932 5.561 ( 16.882 3.576 0.162) 17.257 6.671 ( 0.690 0.133 -0.610) 0.930 7.799 ( 6.471 12.679 -6.005) 15.450 8.169 ( 28.819 3.866 5.025) 29.508 10.067 ( 5.943 -0.886 -1.885) 6.298 10.663 ( 6.600 1.160 4.375) 8.003 11.085 ( -1.094 8.985 -1.688) 9.207 11.931 ( 24.866 1.447 0.203) 24.909 13.100 ( -9.345 2.392 2.557) 9.980 13.696 ( -17.480 0.877 -2.092) 17.627 16.355 ( -15.392 -11.502 -2.677) 19.401 ======================= Grid point 531 (210/670) ======================= q-point: ( 0.63 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.230 ( 4.639 1.222 0.277) 4.805 5.890 ( 18.275 3.021 0.544) 18.531 6.686 ( 0.931 0.006 0.871) 1.275 7.776 ( -9.209 2.918 -2.657) 10.019 8.895 ( 41.590 6.807 1.278) 42.163 10.150 ( 5.722 -1.775 -0.546) 6.015 10.806 ( 9.874 0.915 -0.454) 9.927 11.128 ( -1.764 3.565 2.938) 4.944 12.394 ( 26.187 4.108 -1.456) 26.547 12.918 ( -18.067 2.770 1.017) 18.306 13.362 ( -17.109 -4.533 -1.308) 17.748 16.011 ( -15.137 -5.106 -0.852) 15.997 ======================= Grid point 532 (211/670) ======================= q-point: (-0.32 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.315 ( 4.210 0.625 0.442) 4.280 6.221 ( 17.576 2.127 1.582) 17.775 6.709 ( 1.733 -0.503 1.529) 2.366 7.591 ( -12.813 -0.526 -2.555) 13.076 9.573 ( 32.854 -0.175 0.403) 32.857 10.215 ( 2.423 0.657 0.803) 2.635 10.986 ( 3.185 5.298 -7.722) 9.892 11.166 ( 13.759 -8.088 8.204) 17.945 12.506 ( -31.628 1.725 -0.036) 31.675 12.825 ( 19.809 3.858 -2.227) 20.304 13.117 ( -7.718 -3.702 0.786) 8.596 15.758 ( -11.768 0.521 0.048) 11.780 ======================= Grid point 533 (212/670) ======================= q-point: (-0.26 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.382 ( 2.696 0.656 0.756) 2.876 6.515 ( 14.606 0.345 3.369) 14.993 6.749 ( 4.135 -1.943 1.782) 4.904 7.334 ( -15.409 -0.664 -4.167) 15.977 9.904 ( 14.266 -19.086 0.850) 23.844 10.247 ( -3.393 8.884 0.297) 9.514 10.941 ( -4.216 -0.412 0.846) 4.320 11.430 ( 18.338 -19.037 -4.370) 26.791 12.102 ( -17.025 18.176 3.102) 25.096 12.983 ( -5.509 -4.339 1.785) 7.236 13.075 ( 7.216 1.415 -2.427) 7.744 15.653 ( -3.679 5.670 0.207) 6.762 ======================= Grid point 534 (213/670) ======================= q-point: (-0.21 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.416 ( -0.201 0.912 1.380) 1.666 6.689 ( 3.878 -4.121 5.656) 8.001 6.837 ( 10.279 -7.060 3.988) 13.093 7.077 ( -13.308 7.085 -9.272) 17.700 9.631 ( -16.517 -28.706 0.465) 33.122 10.291 ( 1.283 0.684 0.134) 1.460 10.913 ( -1.882 1.184 5.401) 5.841 11.259 ( -7.097 -11.144 -6.105) 14.554 12.399 ( 15.855 20.610 -0.453) 26.007 12.833 ( -4.952 -9.744 2.178) 11.145 13.096 ( -2.889 0.029 -1.311) 3.172 15.753 ( 6.430 9.502 -0.154) 11.474 ======================= Grid point 535 (214/670) ======================= q-point: (-0.16 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.396 ( -3.844 0.700 2.025) 4.400 6.542 ( -14.313 -7.314 7.132) 17.584 6.934 ( 9.445 -3.839 -9.379) 13.853 7.080 ( 3.161 7.278 1.134) 8.015 8.934 ( -29.042 -31.679 0.724) 42.983 10.260 ( -2.528 -5.630 -0.427) 6.186 10.851 ( -9.335 -0.248 7.862) 12.207 11.142 ( 1.384 0.886 -6.898) 7.091 12.527 ( -11.233 -6.771 4.608) 13.902 12.867 ( 8.722 3.293 -7.416) 11.913 13.091 ( 5.515 6.541 2.632) 8.951 16.021 ( 13.661 9.819 -1.078) 16.858 ======================= Grid point 536 (215/670) ======================= q-point: (-0.11 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.316 ( -6.759 -0.107 2.174) 7.101 6.226 ( -19.239 -1.773 5.043) 19.968 7.006 ( 3.725 1.206 -14.533) 15.051 7.225 ( 9.002 -1.514 6.035) 10.943 8.137 ( -30.202 -28.086 1.747) 41.281 10.109 ( -8.157 -4.889 -1.344) 9.605 10.680 ( -11.733 -3.060 5.385) 13.267 11.191 ( 2.317 4.082 -4.816) 6.724 12.273 ( -11.436 -7.027 8.133) 15.694 12.880 ( 0.855 -2.333 -4.921) 5.513 13.375 ( 11.146 10.476 -0.964) 15.327 16.362 ( 17.464 6.987 -2.752) 19.010 ======================= Grid point 537 (216/670) ======================= q-point: (-0.05 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.192 ( -8.067 -0.443 1.759) 8.268 5.918 ( -20.773 4.726 3.824) 21.644 6.918 ( -11.079 -3.582 -9.759) 15.193 7.371 ( 9.098 -7.795 -4.329) 12.739 7.502 ( -17.189 -10.511 6.896) 21.296 9.914 ( -10.109 -1.783 -1.899) 10.440 10.440 ( -13.658 -4.062 3.097) 14.582 11.244 ( 0.663 3.724 -3.016) 4.837 12.080 ( -11.600 0.170 10.139) 15.408 12.883 ( 5.033 -4.150 -2.880) 7.131 13.606 ( 8.217 5.610 -1.790) 10.109 16.697 ( 18.135 2.436 -5.079) 18.990 ======================= Grid point 547 (217/670) ======================= q-point: ( 0.47 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.993 ( -0.000 4.246 -0.060) 4.247 5.031 ( -0.000 3.469 0.258) 3.479 6.646 ( -0.000 14.060 -0.445) 14.067 6.657 ( -0.000 0.040 -3.666) 3.666 8.017 ( -0.000 8.177 -0.261) 8.181 9.911 ( -0.000 2.512 -2.475) 3.527 10.310 ( 0.000 10.130 2.063) 10.338 11.150 ( 0.000 0.331 4.560) 4.572 11.205 ( -0.000 -0.440 -1.657) 1.714 13.290 ( 0.000 1.263 3.710) 3.919 14.109 ( -0.000 9.481 -1.593) 9.614 16.976 ( -0.000 -18.257 -5.708) 19.128 ======================= Grid point 548 (218/670) ======================= q-point: ( 0.53 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.038 ( 1.461 2.585 0.586) 3.026 5.125 ( 7.613 2.300 0.848) 7.998 6.652 ( 0.355 0.254 -1.536) 1.596 6.926 ( 19.466 10.066 -0.882) 21.933 8.067 ( -1.650 4.909 -0.443) 5.198 9.941 ( 1.759 1.969 -1.914) 3.261 10.448 ( 5.364 6.133 2.062) 8.405 11.120 ( -1.946 3.570 -0.377) 4.084 11.309 ( 10.704 -3.354 2.831) 11.569 13.261 ( -1.886 -4.431 2.677) 5.510 14.166 ( -8.018 14.353 -2.522) 16.633 16.743 ( -6.488 -14.385 -3.695) 16.207 ======================= Grid point 549 (219/670) ======================= q-point: ( 0.58 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.098 ( 2.941 1.429 1.422) 3.565 5.327 ( 13.727 1.390 1.589) 13.888 6.663 ( 0.590 0.523 0.335) 0.857 7.462 ( 34.030 7.192 -1.950) 34.836 8.050 ( -3.187 0.487 -0.081) 3.225 9.994 ( 3.157 1.261 -0.875) 3.511 10.580 ( 5.356 0.215 1.959) 5.707 11.160 ( 0.116 6.212 -1.182) 6.324 11.536 ( 20.373 -3.258 2.686) 20.806 13.183 ( -3.132 -3.659 1.210) 4.966 14.058 ( -17.480 8.259 -3.080) 19.577 16.481 ( -11.127 -6.827 -1.464) 13.136 ======================= Grid point 550 (220/670) ======================= q-point: (-0.37 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.169 ( 3.917 0.266 1.752) 4.299 5.608 ( 17.593 0.392 2.543) 17.780 6.682 ( 0.486 0.682 1.707) 1.902 7.922 ( -5.208 3.440 -5.054) 8.032 8.194 ( 41.630 -3.557 2.207) 41.840 10.067 ( 4.413 1.152 0.596) 4.600 10.661 ( 6.158 -2.279 -0.373) 6.577 11.191 ( -1.438 1.211 1.590) 2.462 11.941 ( 28.105 -0.180 0.632) 28.113 13.093 ( -5.553 -1.522 0.322) 5.767 13.732 ( -24.324 0.932 -3.185) 24.549 16.239 ( -14.325 1.315 0.206) 14.387 ======================= Grid point 551 (221/670) ======================= q-point: (-0.32 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.243 ( 4.605 -0.744 1.368) 4.861 5.925 ( 19.056 -1.133 4.167) 19.539 6.700 ( 0.195 0.452 2.293) 2.345 7.767 ( -10.273 -1.463 -3.682) 11.010 8.880 ( 42.444 -8.669 -0.132) 43.320 10.175 ( 5.568 3.645 1.942) 6.933 10.766 ( 11.130 -3.514 -3.995) 12.336 11.138 ( -4.030 -4.681 3.523) 7.111 12.415 ( 27.542 -1.598 0.506) 27.593 12.913 ( -15.977 -3.372 0.708) 16.344 13.343 ( -19.053 3.668 -3.242) 19.672 16.029 ( -15.614 7.015 0.983) 17.146 ======================= Grid point 552 (222/670) ======================= q-point: (-0.26 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.317 ( 4.930 -1.280 0.689) 5.140 6.234 ( 18.226 -4.070 6.933) 19.920 6.711 ( 0.285 -0.064 1.627) 1.653 7.548 ( -12.423 -1.038 -4.709) 13.326 9.344 ( 28.491 -21.654 0.059) 35.786 10.326 ( 3.585 7.433 2.019) 8.496 10.941 ( 17.365 -7.055 -8.574) 20.612 11.000 ( -4.696 -9.286 4.992) 11.541 12.549 ( -19.758 0.325 3.014) 19.989 12.773 ( 17.084 -7.505 3.086) 18.913 13.179 ( -9.310 10.295 -5.362) 14.880 15.878 ( -12.577 11.204 1.210) 16.887 ======================= Grid point 553 (223/670) ======================= q-point: (-0.21 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.383 ( 4.105 -1.462 0.241) 4.365 6.473 ( 14.463 -10.767 10.696) 20.964 6.729 ( 1.488 0.984 -0.191) 1.794 7.322 ( -12.660 3.121 -6.486) 14.564 9.379 ( 7.325 -34.229 -0.015) 35.004 10.354 ( -5.468 -0.343 1.040) 5.576 10.922 ( 1.976 -1.733 4.862) 5.527 11.071 ( 10.149 -12.584 -8.428) 18.231 12.442 ( 0.960 11.512 2.380) 11.794 12.827 ( -0.554 -11.054 5.640) 12.422 13.149 ( -4.554 8.580 -6.253) 11.552 15.860 ( -4.689 14.717 1.141) 15.488 ======================= Grid point 554 (224/670) ======================= q-point: (-0.16 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.415 ( 1.289 -2.105 0.279) 2.484 6.550 ( 6.762 -16.290 9.264) 19.923 6.775 ( 0.875 2.182 1.022) 2.563 7.187 ( -6.103 8.018 -7.118) 12.337 8.946 ( -13.620 -40.000 -0.466) 42.258 10.246 ( -2.539 -5.890 1.013) 6.494 10.979 ( -4.219 -4.971 4.046) 7.674 11.030 ( 6.723 -1.624 -4.813) 8.427 12.603 ( -2.111 -12.957 -0.903) 13.158 12.753 ( 6.060 11.125 2.139) 12.847 13.134 ( -2.470 7.477 -1.777) 8.072 16.002 ( 3.128 15.443 0.741) 15.774 ======================= Grid point 555 (225/670) ======================= q-point: (-0.11 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.378 ( -2.476 -3.601 0.513) 4.400 6.463 ( -5.910 -7.438 6.487) 11.504 6.810 ( 4.622 -1.771 -3.415) 6.013 7.209 ( 0.681 5.316 -1.898) 5.685 8.263 ( -21.219 -35.699 -0.094) 41.529 10.152 ( -2.843 -5.879 0.162) 6.532 10.805 ( -7.422 -8.744 1.334) 11.547 11.145 ( 4.603 3.727 -1.222) 6.047 12.368 ( -8.064 -10.349 3.215) 13.508 12.850 ( -0.932 -1.896 -3.372) 3.979 13.325 ( 9.608 14.997 -0.150) 17.811 16.237 ( 7.915 12.491 -0.113) 14.788 ======================= Grid point 556 (226/670) ======================= q-point: (-0.05 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.278 ( -4.711 -4.140 0.469) 6.289 6.283 ( -14.340 3.041 4.246) 15.262 6.861 ( 6.033 -5.562 -8.643) 11.918 7.227 ( -1.084 -4.945 1.636) 5.321 7.659 ( -15.247 -18.438 1.666) 23.983 10.032 ( -6.120 -2.790 -0.846) 6.779 10.583 ( -9.283 -8.742 1.710) 12.865 11.236 ( 2.582 3.737 -2.039) 4.979 12.201 ( -4.404 -5.325 4.664) 8.337 12.789 ( 0.173 -4.823 -0.065) 4.826 13.592 ( 5.337 12.373 -2.457) 13.698 16.486 ( 10.550 7.025 -1.507) 12.764 ======================= Grid point 567 (227/670) ======================= q-point: ( 0.53 0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.052 ( 0.000 1.316 3.324) 3.575 5.075 ( 0.000 1.088 0.273) 1.122 6.651 ( 0.000 0.670 0.209) 0.702 6.827 ( -0.000 4.871 -0.691) 4.920 8.116 ( -0.000 2.619 -1.488) 3.012 9.942 ( -0.000 1.831 -1.037) 2.104 10.453 ( -0.000 3.293 0.327) 3.309 11.161 ( 0.000 -1.608 4.188) 4.486 11.194 ( -0.000 0.169 -0.171) 0.241 13.231 ( 0.000 -4.580 0.679) 4.630 14.362 ( -0.000 11.090 -2.987) 11.485 16.676 ( -0.000 -7.930 -1.716) 8.113 ======================= Grid point 568 (228/670) ======================= q-point: (-0.42 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.078 ( 1.265 0.335 3.130) 3.392 5.156 ( 7.932 -0.068 2.530) 8.326 6.667 ( 0.297 1.234 2.056) 2.417 7.022 ( 20.282 0.296 -0.879) 20.303 8.102 ( -2.366 -0.210 -2.254) 3.274 9.967 ( 1.489 1.015 0.067) 1.803 10.500 ( 3.853 -1.287 -0.466) 4.089 11.198 ( 0.760 3.548 0.195) 3.634 11.249 ( 10.074 -4.062 3.819) 11.514 13.191 ( -1.241 -1.339 -0.979) 2.071 14.329 ( -9.602 0.613 -3.548) 10.254 16.594 ( -5.845 1.872 0.375) 6.149 ======================= Grid point 569 (229/670) ======================= q-point: (-0.37 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.117 ( 2.620 -1.260 2.899) 4.105 5.345 ( 13.980 -1.367 3.780) 14.546 6.695 ( 0.208 1.595 3.655) 3.994 7.475 ( 35.698 -5.043 -0.584) 36.057 8.019 ( -4.911 -2.274 -3.277) 6.327 10.014 ( 3.348 0.478 1.180) 3.582 10.542 ( 4.706 -3.922 -1.731) 6.366 11.203 ( -0.256 -3.311 3.056) 4.513 11.520 ( 21.380 1.193 1.093) 21.441 13.153 ( -2.987 0.919 -1.918) 3.667 14.052 ( -17.237 -6.596 -3.497) 18.784 16.513 ( -11.459 9.963 1.736) 15.284 ======================= Grid point 570 (230/670) ======================= q-point: (-0.32 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( 3.926 -3.152 1.705) 5.316 5.607 ( 17.794 -3.212 5.114) 18.791 6.723 ( -0.422 1.406 4.631) 4.858 7.865 ( -4.389 -7.029 -0.858) 8.331 8.070 ( 39.345 -8.540 -3.587) 40.421 10.107 ( 6.337 1.720 1.963) 6.854 10.578 ( 5.985 -4.953 -3.853) 8.672 11.143 ( -2.270 -7.633 4.023) 8.922 11.941 ( 26.584 -0.699 1.035) 26.613 13.062 ( -7.801 -2.710 -1.309) 8.361 13.679 ( -18.351 -1.399 -3.574) 18.748 16.406 ( -16.108 14.077 2.332) 21.519 ======================= Grid point 571 (231/670) ======================= q-point: (-0.26 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.202 ( 5.527 -4.493 0.059) 7.123 5.892 ( 18.879 -6.370 6.899) 21.085 6.734 ( -1.121 0.687 4.439) 4.630 7.690 ( -8.483 -3.428 -3.096) 9.659 8.577 ( 36.452 -21.538 -1.535) 42.368 10.284 ( 9.593 5.104 2.231) 11.093 10.622 ( 8.656 -7.715 -6.285) 13.188 11.003 ( -4.649 -11.234 3.524) 12.659 12.338 ( 22.698 -7.908 2.669) 24.184 12.823 ( -13.035 -5.345 2.096) 14.243 13.461 ( -12.298 11.353 -5.876) 17.739 16.274 ( -17.450 16.242 2.668) 23.988 ======================= Grid point 572 (232/670) ======================= q-point: (-0.21 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.257 ( 6.771 -4.945 -1.304) 8.486 6.131 ( 16.460 -12.192 8.481) 22.170 6.739 ( -0.135 1.137 3.484) 3.668 7.512 ( -9.681 0.756 -3.455) 10.307 8.800 ( 21.455 -33.326 -1.175) 39.652 10.408 ( -2.189 -4.296 1.158) 4.959 10.724 ( 15.625 -5.680 -7.025) 18.049 10.862 ( 1.136 -7.705 2.849) 8.292 12.450 ( 3.840 -13.394 3.110) 14.277 12.725 ( 2.133 1.113 5.922) 6.391 13.386 ( -10.479 14.830 -7.907) 19.806 16.184 ( -13.529 18.370 2.987) 23.009 ======================= Grid point 573 (233/670) ======================= q-point: (-0.16 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.315 ( 6.079 -5.046 -1.841) 8.112 6.238 ( 11.390 -18.237 6.298) 22.405 6.798 ( 2.746 3.129 5.643) 7.013 7.367 ( -9.439 5.051 -3.920) 11.400 8.633 ( 2.791 -41.052 -1.736) 41.184 10.231 ( -4.857 -11.511 1.190) 12.551 10.794 ( 7.021 -11.164 -8.092) 15.473 10.993 ( 8.019 4.052 5.612) 10.593 12.417 ( 6.274 -12.482 -1.571) 14.058 12.790 ( 1.171 2.354 7.011) 7.488 13.330 ( -9.441 13.723 -5.843) 17.653 16.210 ( -6.616 19.490 3.019) 20.803 ======================= Grid point 574 (234/670) ======================= q-point: (-0.11 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.333 ( 2.439 -5.806 -1.287) 6.428 6.250 ( 10.636 -17.205 0.625) 20.237 6.883 ( -1.210 3.366 10.305) 10.909 7.277 ( -5.550 5.578 -4.751) 9.192 8.156 ( -9.823 -39.226 -2.181) 40.496 10.096 ( 0.148 -9.761 1.418) 9.865 10.732 ( 1.898 -13.019 -5.307) 14.187 11.142 ( 2.876 5.001 5.260) 7.807 12.338 ( -0.188 -12.047 -4.671) 12.922 12.849 ( -0.273 0.897 0.861) 1.273 13.366 ( 0.981 13.672 0.983) 13.742 16.336 ( -1.604 17.596 2.520) 17.847 ======================= Grid point 587 (235/670) ======================= q-point: (-0.42 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 0.000 -1.163 0.491) 1.263 5.091 ( 0.000 -1.174 7.190) 7.285 6.691 ( 0.000 2.046 4.267) 4.732 6.823 ( -0.000 -4.612 -1.055) 4.731 8.100 ( -0.000 -2.567 -3.143) 4.058 9.960 ( 0.000 -0.133 0.739) 0.751 10.432 ( -0.000 -4.794 -1.714) 5.091 11.153 ( 0.000 -1.646 3.360) 3.741 11.213 ( 0.000 1.058 1.626) 1.940 13.199 ( -0.000 1.975 -2.668) 3.319 14.351 ( -0.000 -9.630 -3.900) 10.390 16.715 ( 0.000 11.532 2.049) 11.712 ======================= Grid point 588 (236/670) ======================= q-point: (-0.37 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 1.186 -3.141 2.466) 4.165 5.155 ( 7.561 -3.048 5.602) 9.892 6.729 ( -0.040 2.232 6.205) 6.595 6.928 ( 20.185 -9.212 -0.658) 22.198 8.035 ( -2.223 -4.586 -3.839) 6.381 9.971 ( 1.868 -1.052 1.014) 2.372 10.403 ( 4.320 -7.509 -2.377) 8.983 11.162 ( 0.845 -5.017 4.177) 6.583 11.296 ( 9.032 3.308 1.066) 9.678 13.201 ( -1.692 2.490 -3.490) 4.609 14.151 ( -7.866 -12.790 -3.648) 15.452 16.811 ( -6.758 17.446 2.964) 18.942 ======================= Grid point 589 (237/670) ======================= q-point: (-0.32 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.064 ( 2.372 -6.238 1.437) 6.827 5.317 ( 13.855 -5.013 5.387) 15.688 6.766 ( -0.560 1.417 7.531) 7.684 7.272 ( 33.329 -15.347 0.631) 36.699 7.924 ( -3.413 -4.751 -4.846) 7.596 10.019 ( 4.979 -0.785 0.772) 5.099 10.406 ( 6.131 -8.605 -3.393) 11.098 11.106 ( -1.534 -8.323 4.654) 9.659 11.563 ( 18.714 1.198 1.077) 18.784 13.137 ( -5.341 -3.364 -2.141) 6.665 13.885 ( -11.033 -3.264 -4.090) 12.211 16.831 ( -13.509 19.442 3.386) 23.915 ======================= Grid point 590 (238/670) ======================= q-point: (-0.26 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.050 ( 4.721 -8.599 -0.772) 9.840 5.538 ( 17.321 -7.976 5.919) 19.967 6.778 ( -1.420 -0.803 7.263) 7.444 7.639 ( 21.549 -18.552 5.065) 28.883 7.855 ( 10.575 -7.501 -8.255) 15.370 10.142 ( 10.057 0.652 0.072) 10.078 10.410 ( 6.320 -9.693 -4.810) 12.531 10.972 ( -4.310 -12.408 4.101) 13.760 11.902 ( 21.701 -5.177 2.048) 22.404 12.951 ( -9.066 -6.869 2.433) 11.631 13.734 ( -9.761 10.765 -6.795) 16.041 16.763 ( -18.145 19.772 3.856) 27.112 ======================= Grid point 591 (239/670) ======================= q-point: (-0.21 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( 7.636 -9.406 -2.719) 12.417 5.753 ( 17.051 -12.686 6.423) 22.202 6.758 ( -0.732 -2.795 5.687) 6.379 7.629 ( -4.026 -1.979 2.247) 5.017 8.060 ( 27.623 -29.035 -3.942) 40.269 10.322 ( 6.645 -7.865 0.504) 10.308 10.417 ( 11.631 -5.415 -7.639) 14.932 10.785 ( -2.613 -11.508 3.455) 12.297 12.133 ( 14.849 -14.691 2.930) 21.093 12.809 ( -4.993 1.799 6.904) 8.708 13.682 ( -9.870 16.116 -9.525) 21.162 16.657 ( -18.384 20.297 4.691) 27.784 ======================= Grid point 592 (240/670) ======================= q-point: (-0.16 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.107 ( 9.617 -8.795 -3.774) 13.568 5.876 ( 12.916 -18.392 5.291) 23.088 6.768 ( 3.529 -2.422 5.419) 6.905 7.553 ( -7.145 3.975 2.307) 8.495 8.085 ( 14.996 -37.909 -3.502) 40.917 10.176 ( -3.639 -16.286 -0.043) 16.688 10.527 ( 8.822 -12.058 -6.349) 16.233 10.852 ( 13.199 3.246 2.333) 13.791 12.154 ( 7.686 -17.647 1.419) 19.301 12.842 ( -0.581 5.602 8.660) 10.331 13.630 ( -11.359 16.135 -9.930) 22.090 16.598 ( -14.085 21.097 5.581) 25.973 ======================= Grid point 593 (241/670) ======================= q-point: (-0.11 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.171 ( 8.328 -7.749 -3.437) 11.883 5.888 ( 10.952 -19.936 1.374) 22.788 6.858 ( 6.830 -3.319 8.091) 11.097 7.476 ( -9.428 6.747 2.314) 11.823 7.831 ( 2.032 -38.090 -4.693) 38.431 9.990 ( -0.561 -13.294 1.412) 13.380 10.507 ( 6.513 -14.039 -4.984) 16.259 11.107 ( 9.459 3.985 2.650) 10.600 12.111 ( 7.766 -15.769 -4.483) 18.141 12.902 ( -1.960 4.395 6.822) 8.348 13.569 ( -9.148 14.123 -5.427) 17.681 16.628 ( -9.138 20.370 5.790) 23.065 ======================= Grid point 607 (242/670) ======================= q-point: (-0.37 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.032 ( 0.000 -4.080 0.361) 4.096 5.071 ( 0.000 -6.858 7.627) 10.257 6.641 ( 0.000 -13.276 -0.911) 13.308 6.780 ( 0.000 2.289 8.658) 8.956 7.984 ( -0.000 -6.761 -3.729) 7.721 9.941 ( 0.000 -2.215 0.496) 2.270 10.265 ( -0.000 -10.531 -2.378) 10.796 11.136 ( 0.000 -3.056 3.192) 4.419 11.244 ( 0.000 0.598 2.101) 2.184 13.220 ( -0.000 -0.245 -3.627) 3.635 14.083 ( -0.000 -9.822 -3.742) 10.510 17.070 ( 0.000 21.160 3.573) 21.459 ======================= Grid point 608 (243/670) ======================= q-point: (-0.32 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.971 ( 0.024 -9.285 1.128) 9.353 5.088 ( 8.218 -7.846 4.852) 12.354 6.654 ( 17.981 -17.209 0.484) 24.894 6.826 ( 0.741 0.035 8.920) 8.951 7.892 ( -1.313 -7.087 -2.986) 7.801 9.936 ( 2.690 -3.125 -0.389) 4.142 10.193 ( 5.169 -12.146 -2.505) 13.436 11.078 ( -2.340 -7.249 3.601) 8.426 11.341 ( 9.720 0.282 1.429) 9.829 13.156 ( -2.977 -6.368 -0.838) 7.079 13.987 ( -4.427 2.445 -5.175) 7.236 17.226 ( -7.810 21.830 3.873) 23.507 ======================= Grid point 609 (244/670) ======================= q-point: (-0.26 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.879 ( 2.562 -13.308 -1.271) 13.611 5.207 ( 13.886 -10.001 4.377) 17.664 6.774 ( 5.186 -10.863 7.968) 14.436 6.942 ( 23.884 -15.721 1.205) 28.619 7.800 ( -1.583 -4.705 -1.215) 5.110 9.975 ( 7.221 -5.326 -1.518) 9.100 10.170 ( 7.300 -13.069 -3.271) 15.323 10.943 ( -4.444 -11.001 3.308) 12.317 11.551 ( 15.609 -3.397 1.453) 16.041 13.021 ( -5.476 -5.629 4.431) 9.017 13.956 ( -6.226 13.197 -8.045) 16.663 17.256 ( -14.770 21.150 4.376) 26.165 ======================= Grid point 610 (245/670) ======================= q-point: (-0.21 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 6.816 -14.868 -3.723) 16.775 5.365 ( 16.245 -13.590 4.346) 21.621 6.725 ( 0.415 -10.776 6.485) 12.583 7.216 ( 29.570 -25.839 0.597) 39.273 7.746 ( -1.675 -1.004 1.069) 2.227 10.043 ( 11.555 -15.860 -1.849) 19.710 10.164 ( 8.238 -10.380 -5.210) 14.239 10.765 ( -5.261 -7.968 2.771) 9.942 11.761 ( 15.158 -9.976 2.028) 18.259 12.938 ( -4.573 2.601 9.181) 10.582 13.960 ( -7.986 17.584 -11.001) 22.226 17.188 ( -18.614 20.550 5.536) 28.274 ======================= Grid point 611 (246/670) ======================= q-point: (-0.16 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( 11.296 -14.136 -5.207) 18.829 5.487 ( 14.363 -18.163 3.751) 23.458 6.662 ( 3.601 -11.295 5.253) 12.967 7.376 ( 22.224 -32.385 -0.682) 39.283 7.723 ( -3.192 2.766 3.078) 5.226 9.981 ( 6.021 -24.312 -0.846) 25.061 10.214 ( 11.004 -13.164 -5.797) 18.110 10.723 ( 4.090 3.348 1.043) 5.388 11.851 ( 9.399 -15.217 2.036) 18.002 12.972 ( -2.594 8.264 11.244) 14.193 13.941 ( -10.487 17.991 -12.989) 24.543 17.095 ( -17.920 20.630 7.325) 28.291 ======================= Grid point 612 (247/670) ======================= q-point: (-0.11 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.878 ( 13.919 -11.616 -5.463) 18.935 5.513 ( 11.013 -21.109 1.785) 23.876 6.674 ( 8.601 -12.408 6.552) 16.458 7.326 ( 12.103 -34.171 -3.648) 36.434 7.705 ( -6.124 6.516 4.467) 9.995 9.835 ( 3.404 -19.523 1.236) 19.856 10.223 ( 8.883 -14.914 -4.363) 17.899 10.932 ( 13.580 4.339 -1.350) 14.320 11.819 ( 6.051 -16.719 -0.572) 17.790 13.043 ( -3.811 8.411 10.576) 14.040 13.872 ( -12.284 16.201 -12.011) 23.614 17.050 ( -14.345 20.467 8.841) 26.511 ======================= Grid point 627 (248/670) ======================= q-point: (-0.32 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 0.000 -15.634 4.530) 16.277 4.911 ( 0.000 -8.940 -0.548) 8.957 6.318 ( 0.000 -19.347 0.177) 19.348 6.842 ( 0.000 -3.849 9.036) 9.822 7.825 ( 0.000 -6.996 -0.307) 7.003 9.861 ( -0.000 -7.596 -1.485) 7.740 10.015 ( 0.000 -13.510 -1.854) 13.637 11.039 ( 0.000 -8.757 2.398) 9.080 11.260 ( 0.000 -0.081 1.517) 1.519 13.116 ( 0.000 -6.919 2.772) 7.453 14.067 ( -0.000 10.864 -7.051) 12.951 17.519 ( 0.000 21.935 4.044) 22.304 ======================= Grid point 628 (249/670) ======================= q-point: (-0.26 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.707 ( -0.874 -18.643 -0.773) 18.679 4.907 ( 9.784 -13.573 1.632) 16.811 6.273 ( 16.780 -21.900 1.558) 27.633 6.798 ( -0.129 -9.784 5.483) 11.217 7.772 ( -0.079 -4.392 3.563) 5.656 9.771 ( 3.896 -16.985 -2.916) 17.669 9.921 ( 5.152 -13.915 -1.792) 14.946 10.932 ( -3.587 -7.028 2.344) 8.231 11.334 ( 8.022 -1.330 1.082) 8.203 13.064 ( -2.184 -2.156 7.485) 8.090 14.150 ( -3.054 16.742 -9.353) 19.419 17.670 ( -8.243 20.880 4.389) 22.873 ======================= Grid point 629 (250/670) ======================= q-point: (-0.21 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 4.208 -21.062 -4.141) 21.874 4.974 ( 14.601 -16.757 1.988) 22.314 6.396 ( 21.418 -25.816 4.423) 33.834 6.709 ( 4.336 -14.623 -0.514) 15.261 7.765 ( 0.272 -1.096 7.016) 7.106 9.637 ( 8.915 -30.337 -4.150) 31.891 9.898 ( 8.140 -13.290 -2.353) 15.761 10.828 ( -5.430 0.511 2.323) 5.928 11.475 ( 10.873 -4.579 1.230) 11.862 13.067 ( -2.493 4.768 11.487) 12.685 14.218 ( -5.868 19.409 -11.841) 23.481 17.684 ( -14.790 19.667 5.478) 25.211 ======================= Grid point 630 (251/670) ======================= q-point: (-0.16 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.432 ( 10.707 -20.693 -6.148) 24.096 5.062 ( 15.848 -20.155 1.720) 25.697 6.426 ( 9.561 -24.157 6.817) 26.859 6.721 ( 18.271 -22.440 -5.247) 29.410 7.798 ( 0.012 1.819 8.538) 8.730 9.481 ( 14.483 -37.849 -3.894) 40.712 9.907 ( 9.078 -13.461 -2.895) 16.492 10.793 ( -4.133 8.119 1.370) 9.213 11.585 ( 8.741 -8.844 1.481) 12.522 13.142 ( -2.171 9.651 13.279) 16.558 14.242 ( -8.996 19.652 -14.191) 25.855 17.614 ( -17.645 19.031 7.650) 27.057 ======================= Grid point 631 (252/670) ======================= q-point: (-0.11 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 16.818 -17.824 -6.760) 25.421 5.107 ( 13.587 -22.830 0.705) 26.577 6.373 ( 9.679 -23.274 7.014) 26.164 6.768 ( 16.611 -25.286 -6.293) 30.902 7.844 ( -1.642 4.165 7.959) 9.132 9.396 ( 18.645 -34.517 -1.358) 39.255 9.917 ( 8.967 -13.690 -3.103) 16.657 10.857 ( 1.447 9.544 -0.826) 9.688 11.596 ( 4.296 -11.782 0.874) 12.571 13.240 ( -3.683 10.701 12.486) 16.851 14.199 ( -12.149 18.106 -15.178) 26.567 17.536 ( -16.666 18.855 10.347) 27.209 ======================= Grid point 647 (253/670) ======================= q-point: (-0.26 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( 0.000 -24.935 0.212) 24.936 4.651 ( 0.000 -17.829 -2.192) 17.963 5.935 ( 0.000 -19.947 2.056) 20.053 6.684 ( 0.000 -16.596 2.103) 16.729 7.752 ( 0.000 -3.382 8.089) 8.768 9.492 ( -0.000 -31.439 -4.743) 31.794 9.735 ( 0.000 -14.313 -0.729) 14.331 10.941 ( 0.000 0.595 2.728) 2.792 11.266 ( 0.000 0.156 0.560) 0.581 13.111 ( 0.000 2.430 10.884) 11.152 14.319 ( -0.000 19.528 -10.720) 22.277 17.950 ( 0.000 19.688 4.371) 20.168 ======================= Grid point 648 (254/670) ======================= q-point: (-0.21 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 0.279 -27.448 -3.811) 27.713 4.559 ( 11.845 -23.319 -1.026) 26.175 5.873 ( 13.099 -20.071 3.010) 24.155 6.505 ( 0.948 -21.135 -1.376) 21.201 7.761 ( 1.177 -3.180 11.145) 11.649 9.149 ( 4.630 -42.480 -6.276) 43.190 9.643 ( 5.332 -13.986 -0.420) 14.974 10.959 ( -3.812 7.926 3.074) 9.317 11.319 ( 5.421 -0.540 0.430) 5.464 13.189 ( -0.684 6.919 13.854) 15.501 14.451 ( -3.286 20.947 -12.289) 24.507 18.078 ( -8.079 18.199 4.974) 20.523 ======================= Grid point 649 (255/670) ======================= q-point: (-0.16 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 7.692 -27.526 -6.651) 29.344 4.564 ( 17.252 -26.609 -0.486) 31.716 5.942 ( 16.654 -22.975 4.374) 28.712 6.333 ( 5.772 -22.230 -4.299) 23.367 7.804 ( 3.152 -3.348 12.380) 13.206 8.824 ( 11.321 -46.072 -7.086) 47.969 9.626 ( 8.094 -13.429 -0.606) 15.691 10.986 ( -5.584 12.041 2.457) 13.498 11.406 ( 6.115 -3.056 0.660) 6.868 13.310 ( -0.833 10.318 15.228) 18.413 14.526 ( -6.967 20.908 -14.044) 26.133 18.079 ( -13.789 17.005 6.827) 22.933 ======================= Grid point 650 (256/670) ======================= q-point: (-0.11 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 16.380 -24.751 -7.657) 30.652 4.597 ( 18.219 -28.477 -1.022) 33.821 5.964 ( 11.905 -25.349 5.935) 28.627 6.272 ( 13.977 -21.468 -6.163) 26.348 7.882 ( 3.922 -1.187 11.643) 12.343 8.633 ( 21.389 -43.875 -6.295) 49.215 9.637 ( 8.519 -12.787 -1.164) 15.409 11.019 ( -5.653 12.917 1.195) 14.151 11.449 ( 3.558 -5.805 0.597) 6.835 13.441 ( -2.361 11.471 13.918) 18.190 14.525 ( -10.891 19.469 -15.322) 27.063 18.015 ( -15.746 16.472 9.924) 24.855 ======================= Grid point 667 (257/670) ======================= q-point: (-0.21 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( 0.000 -32.707 -3.915) 32.941 4.175 ( 0.000 -29.694 -3.212) 29.867 5.608 ( 0.000 -15.348 3.207) 15.679 6.256 ( 0.000 -26.592 -3.589) 26.833 7.731 ( 0.000 -10.183 14.161) 17.443 8.656 ( -0.000 -44.722 -8.158) 45.460 9.465 ( 0.000 -13.325 0.586) 13.338 11.103 ( 0.000 11.584 3.921) 12.230 11.279 ( -0.000 1.250 -0.325) 1.292 13.319 ( 0.000 9.040 16.292) 18.632 14.645 ( -0.000 21.729 -12.766) 25.201 18.329 ( 0.000 16.519 4.740) 17.186 ======================= Grid point 668 (258/670) ======================= q-point: (-0.16 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( 2.819 -33.826 -6.664) 34.591 3.989 ( 14.426 -34.117 -2.290) 37.113 5.558 ( 8.671 -14.705 3.320) 17.391 5.991 ( 3.557 -29.883 -5.207) 30.542 7.643 ( 6.117 -28.306 14.319) 32.306 8.283 ( 2.516 -29.326 -8.154) 30.542 9.388 ( 5.028 -12.350 0.858) 13.361 11.197 ( -3.661 12.316 3.160) 13.232 11.322 ( 2.997 0.861 -0.023) 3.118 13.472 ( -0.069 11.111 17.770) 20.958 14.780 ( -3.998 21.482 -13.463) 25.666 18.433 ( -7.416 14.945 5.619) 17.605 ======================= Grid point 669 (259/670) ======================= q-point: (-0.11 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 12.864 -31.515 -8.289) 35.034 3.948 ( 20.915 -35.635 -2.159) 41.375 5.585 ( 10.031 -17.049 3.999) 20.182 5.803 ( 11.541 -29.483 -5.963) 32.218 7.532 ( 19.988 -43.732 10.204) 49.154 8.117 ( 1.380 -9.669 -4.804) 10.884 9.384 ( 7.388 -11.364 0.275) 13.557 11.247 ( -5.435 11.955 2.229) 13.320 11.368 ( 2.333 -1.094 -0.002) 2.577 13.634 ( -1.332 12.156 16.413) 20.468 14.832 ( -8.510 20.083 -14.055) 25.948 18.426 ( -11.996 13.892 8.151) 20.083 ======================= Grid point 687 (260/670) ======================= q-point: (-0.16 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -0.000 -37.926 -7.104) 38.586 3.487 ( 0.000 -38.738 -2.771) 38.837 5.378 ( 0.000 -10.911 2.757) 11.254 5.610 ( -0.000 -37.888 -6.856) 38.504 7.191 ( 0.000 -53.349 8.203) 53.976 8.114 ( -0.000 -5.380 -1.362) 5.549 9.236 ( 0.000 -11.016 1.689) 11.144 11.311 ( -0.000 2.519 -0.878) 2.668 11.352 ( 0.000 10.128 3.433) 10.694 13.647 ( 0.000 12.277 20.109) 23.560 14.978 ( -0.000 21.141 -12.961) 24.798 18.647 ( 0.000 13.063 5.029) 13.997 ======================= Grid point 688 (261/670) ======================= q-point: (-0.11 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 6.518 -37.443 -8.416) 38.926 3.245 ( 16.534 -40.669 -2.286) 43.961 5.252 ( 8.682 -43.445 -6.636) 44.798 5.339 ( 5.761 -10.958 1.886) 12.523 6.781 ( 11.653 -53.042 5.125) 54.549 8.091 ( -0.621 0.194 1.131) 1.305 9.183 ( 4.544 -9.655 1.518) 10.778 11.344 ( 1.029 2.262 -0.823) 2.618 11.422 ( -2.745 7.666 2.543) 8.530 13.832 ( -0.805 13.099 19.750) 23.713 15.095 ( -4.829 19.764 -12.462) 23.859 18.726 ( -6.328 11.527 6.052) 14.476 ======================= Grid point 707 (262/670) ======================= q-point: (-0.11 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.000 -40.611 -8.343) 41.459 2.673 ( 0.000 -43.707 -1.436) 43.730 4.639 ( 0.000 -58.943 -8.140) 59.502 5.212 ( 0.000 -7.942 1.558) 8.093 6.217 ( 0.000 -45.923 3.979) 46.095 8.112 ( 0.000 1.518 2.234) 2.701 9.065 ( 0.000 -8.079 2.202) 8.374 11.362 ( -0.000 3.253 -1.014) 3.408 11.505 ( 0.000 3.777 1.980) 4.264 14.036 ( 0.000 13.479 21.384) 25.278 15.284 ( -0.000 18.433 -10.714) 21.321 18.898 ( 0.000 9.624 4.829) 10.768 ======================= Grid point 768 (263/670) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 -0.000 36.867) 36.867 0.730 ( 0.000 -0.000 36.867) 36.867 1.360 ( 0.000 -0.000 69.006) 69.006 4.937 ( -0.000 0.000 -4.740) 4.740 4.937 ( -0.000 0.000 -4.740) 4.740 8.854 ( -0.000 0.000 -0.275) 0.275 8.854 ( -0.000 0.000 -0.275) 0.275 10.191 ( -0.000 0.000 -15.553) 15.553 11.486 ( 0.000 -0.000 0.236) 0.236 11.486 ( 0.000 -0.000 0.236) 0.236 15.869 ( 0.000 -0.000 4.857) 4.857 18.389 ( -0.000 0.000 -0.780) 0.780 ======================= Grid point 769 (264/670) ======================= q-point: ( 0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 30.613 17.674 25.834) 43.783 1.440 ( 28.407 16.401 34.009) 47.250 2.075 ( 49.369 28.503 40.476) 69.914 4.939 ( 2.051 1.184 -5.849) 6.310 5.065 ( 12.504 7.219 -5.188) 15.342 8.245 ( -9.868 -5.697 2.694) 11.709 8.901 ( 3.221 1.860 0.530) 3.757 11.460 ( -1.991 -1.150 -0.046) 2.300 11.481 ( 2.982 1.721 -2.665) 4.354 12.826 ( 86.150 49.739 -96.735) 138.757 15.897 ( -1.012 -0.584 7.184) 7.278 18.561 ( 8.991 5.191 -20.767) 23.217 ======================= Grid point 770 (265/670) ======================= q-point: ( 0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 24.956 14.408 32.535) 43.462 2.115 ( 35.137 20.287 18.236) 44.483 3.469 ( 60.872 35.144 19.973) 73.071 4.990 ( 4.385 2.531 -6.884) 8.545 5.459 ( 24.649 14.231 -5.958) 29.079 8.127 ( -2.808 -1.621 -3.770) 4.973 9.000 ( 5.469 3.158 1.164) 6.422 11.401 ( -3.115 -1.798 -0.310) 3.610 11.528 ( 1.455 0.840 -1.187) 2.057 13.589 ( 19.417 11.211 -53.357) 57.876 15.829 ( -8.301 -4.793 14.072) 17.026 18.554 ( -1.979 -1.142 -25.884) 25.985 ======================= Grid point 771 (266/670) ======================= q-point: ( 0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 27.959 16.142 22.695) 39.463 2.951 ( 34.644 20.002 14.207) 42.451 4.769 ( 48.334 27.906 14.979) 57.787 5.091 ( 6.811 3.932 -7.743) 11.037 6.149 ( 39.891 23.031 -7.126) 46.610 8.067 ( -1.291 -0.745 -5.094) 5.308 9.151 ( 7.641 4.412 1.587) 8.965 11.326 ( -3.321 -1.917 -0.568) 3.877 11.516 ( -2.514 -1.451 -1.494) 3.264 13.664 ( 2.512 1.450 -30.794) 30.931 15.630 ( -14.220 -8.210 20.215) 26.043 18.343 ( -8.683 -5.013 -26.807) 28.620 ======================= Grid point 772 (267/670) ======================= q-point: ( 0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 29.498 17.031 13.984) 36.820 3.726 ( 30.548 17.637 11.480) 37.094 5.249 ( 9.943 5.741 -8.108) 14.056 5.687 ( 31.520 18.198 11.294) 38.109 7.135 ( 46.553 26.877 -10.388) 54.749 8.060 ( 3.543 2.046 -1.555) 4.377 9.349 ( 9.531 5.503 1.863) 11.162 11.257 ( -2.515 -1.452 -0.849) 3.026 11.410 ( -5.848 -3.377 -1.332) 6.883 13.562 ( -3.817 -2.204 -20.076) 20.554 15.336 ( -18.522 -10.693 23.634) 31.874 18.020 ( -12.034 -6.948 -26.113) 29.580 ======================= Grid point 773 (268/670) ======================= q-point: ( 0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 28.930 16.703 7.087) 34.150 4.353 ( 22.171 12.801 8.407) 26.946 5.495 ( 14.606 8.433 -6.964) 18.247 6.314 ( 22.819 13.175 8.701) 27.749 7.728 ( 7.866 4.541 -18.414) 20.532 8.499 ( 35.221 20.335 5.974) 41.106 9.583 ( 10.781 6.224 2.097) 12.624 11.214 ( -0.986 -0.569 -1.188) 1.645 11.305 ( -1.675 -0.967 1.442) 2.412 13.375 ( -7.523 -4.344 -15.408) 17.688 14.958 ( -22.169 -12.799 22.323) 33.965 17.662 ( -12.616 -7.284 -22.193) 26.547 ======================= Grid point 774 (269/670) ======================= q-point: ( 0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( 12.667 7.313 4.252) 15.232 4.817 ( 26.615 15.366 1.645) 30.776 5.848 ( 17.934 10.354 -3.824) 21.058 6.774 ( 16.238 9.375 5.825) 19.633 7.705 ( -2.153 -1.243 -13.960) 14.180 9.217 ( 23.883 13.789 1.084) 27.599 9.835 ( 10.934 6.313 2.338) 12.841 11.206 ( 0.656 0.379 -1.579) 1.751 11.434 ( 13.098 7.562 5.826) 16.207 13.147 ( -8.193 -4.730 -11.804) 15.128 14.496 ( -24.514 -14.153 15.504) 32.274 17.328 ( -11.745 -6.781 -15.321) 20.461 ======================= Grid point 775 (270/670) ======================= q-point: ( 0.47 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.976 ( 6.888 3.977 1.191) 8.042 5.372 ( 23.258 13.428 -2.917) 27.014 6.226 ( 15.798 9.121 -1.044) 18.272 7.053 ( 7.148 4.127 -1.686) 8.425 7.596 ( -3.543 -2.046 -4.922) 6.400 9.577 ( 10.761 6.213 -0.632) 12.442 10.073 ( 9.499 5.484 2.478) 11.245 11.229 ( 1.768 1.021 -1.910) 2.795 11.838 ( 17.143 9.898 4.219) 20.240 12.988 ( -2.488 -1.436 -2.213) 3.626 13.998 ( -21.813 -12.594 5.046) 25.688 17.039 ( -10.732 -6.196 -8.375) 14.957 ======================= Grid point 776 (271/670) ======================= q-point: ( 0.53 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 3.638 2.101 -0.228) 4.207 5.827 ( 18.778 10.842 -7.879) 23.071 6.519 ( 10.258 5.922 0.592) 11.860 7.047 ( -4.512 -2.605 -9.883) 11.172 7.572 ( 0.586 0.338 7.280) 7.312 9.775 ( 8.027 4.635 -0.911) 9.314 10.260 ( 6.193 3.575 2.284) 7.507 11.266 ( 2.024 1.169 -1.950) 3.044 12.053 ( 2.243 1.295 -6.754) 7.234 13.003 ( -3.200 -1.848 16.281) 16.696 13.680 ( -2.425 -1.400 -5.229) 5.931 16.800 ( -8.648 -4.993 -3.654) 10.633 ======================= Grid point 777 (272/670) ======================= q-point: ( 0.58 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 1.157 0.668 -0.762) 1.538 6.105 ( 7.420 4.284 -15.287) 17.524 6.678 ( 3.628 2.095 1.536) 4.462 6.932 ( -0.178 -0.103 -3.752) 3.757 7.603 ( -1.151 -0.665 8.989) 9.086 9.922 ( 4.702 2.715 -0.571) 5.460 10.353 ( 1.421 0.821 1.602) 2.293 11.300 ( 1.452 0.839 -1.524) 2.266 11.989 ( -3.274 -1.890 -12.930) 13.472 12.875 ( -8.414 -4.858 13.162) 16.359 13.815 ( 8.617 4.975 2.194) 10.190 16.660 ( -2.370 -1.368 -0.945) 2.895 ======================= Grid point 778 (273/670) ======================= q-point: (-0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( -1.343 -0.776 -0.931) 1.809 6.015 ( -9.057 -5.229 -16.621) 19.637 6.689 ( -3.177 -1.834 1.981) 4.169 7.083 ( 12.529 7.234 -2.714) 14.720 7.565 ( -4.900 -2.829 10.256) 11.713 9.954 ( -2.022 -1.167 0.876) 2.494 10.331 ( -3.628 -2.095 0.617) 4.234 11.317 ( 0.286 0.165 -0.774) 0.841 11.865 ( -3.365 -1.943 -16.651) 17.098 12.825 ( 0.983 0.568 9.568) 9.635 13.914 ( -1.552 -0.896 6.168) 6.423 16.722 ( 8.038 4.641 1.820) 9.458 ======================= Grid point 779 (274/670) ======================= q-point: (-0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( -4.454 -2.572 -1.005) 5.241 5.675 ( -16.406 -9.472 -12.749) 22.834 6.552 ( -9.570 -5.525 1.968) 11.225 7.276 ( -0.475 -0.274 -8.308) 8.326 7.547 ( 5.325 3.074 12.798) 14.199 9.859 ( -6.335 -3.657 2.900) 7.868 10.202 ( -7.744 -4.471 -0.295) 8.947 11.308 ( -0.893 -0.516 -0.042) 1.033 11.699 ( -7.854 -4.535 -17.344) 19.572 12.959 ( 7.788 4.496 7.413) 11.654 13.843 ( -3.979 -2.297 3.966) 6.070 17.009 ( 15.844 9.148 5.429) 19.084 ======================= Grid point 780 (275/670) ======================= q-point: (-0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.923 ( -9.131 -5.272 -1.121) 10.603 5.212 ( -22.028 -12.718 -9.272) 27.073 6.287 ( -14.324 -8.270 1.578) 16.614 7.064 ( -13.952 -8.055 -1.133) 16.150 7.782 ( 9.581 5.531 2.279) 11.295 9.702 ( -10.047 -5.801 5.154) 12.695 9.996 ( -10.335 -5.967 -0.983) 11.974 11.282 ( -1.313 -0.758 0.500) 1.597 11.382 ( -14.586 -8.421 -13.696) 21.708 13.181 ( 9.937 5.737 2.573) 11.759 13.856 ( 5.541 3.199 0.575) 6.424 17.426 ( 18.845 10.880 8.304) 23.291 ======================= Grid point 781 (276/670) ======================= q-point: (-0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.632 ( -27.664 -15.972 -6.282) 32.555 4.637 ( -16.696 -9.639 -1.257) 19.320 5.952 ( -15.360 -8.868 0.960) 17.763 6.687 ( -19.604 -11.318 0.733) 22.649 7.940 ( 4.749 2.742 -2.807) 6.160 9.319 ( -28.758 -16.603 5.961) 33.737 9.747 ( -11.347 -6.551 -1.515) 13.190 11.112 ( -3.173 -1.832 -8.304) 9.077 11.261 ( -0.636 -0.367 0.860) 1.131 13.400 ( 10.009 5.778 -4.968) 12.580 14.088 ( 14.208 8.203 1.516) 16.476 17.878 ( 18.821 10.866 9.093) 23.558 ======================= Grid point 782 (277/670) ======================= q-point: (-0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( -32.335 -18.669 -3.201) 37.474 4.155 ( -26.261 -15.162 -1.170) 30.346 5.638 ( -12.595 -7.272 0.202) 14.545 6.195 ( -25.234 -14.569 2.074) 29.211 7.972 ( -2.325 -1.342 -9.411) 9.787 8.485 ( -43.185 -24.933 8.594) 50.600 9.491 ( -10.950 -6.322 -1.955) 12.794 11.184 ( 8.936 5.159 -4.169) 11.129 11.265 ( 0.770 0.444 1.066) 1.388 13.603 ( 10.751 6.207 -10.392) 16.190 14.459 ( 17.571 10.144 4.190) 20.717 18.305 ( 16.777 9.686 7.254) 20.686 ======================= Grid point 783 (278/670) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -35.045 -20.233 1.034) 40.480 3.476 ( -33.829 -19.531 -0.479) 39.065 5.395 ( -9.324 -5.383 -0.646) 10.786 5.554 ( -34.128 -19.704 4.314) 39.643 7.255 ( -49.130 -28.365 -4.708) 56.925 8.102 ( -0.851 -0.492 1.135) 1.502 9.256 ( -9.381 -5.416 -2.228) 11.059 11.302 ( 2.140 1.236 1.115) 2.712 11.382 ( 8.341 4.816 -2.700) 10.002 13.819 ( 12.198 7.043 -14.341) 20.101 14.876 ( 17.781 10.266 7.271) 21.781 18.658 ( 13.171 7.605 2.727) 15.452 ======================= Grid point 788 (279/670) ======================= q-point: ( 0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 30.100 25.164) 39.233 1.579 ( 0.000 30.523 37.215) 48.131 2.270 ( 0.000 55.046 43.047) 69.879 4.937 ( -0.000 3.179 -5.854) 6.661 5.027 ( -0.000 13.380 -6.750) 14.986 8.248 ( 0.000 -14.678 2.892) 14.960 8.853 ( -0.000 1.482 -0.973) 1.773 11.469 ( -0.000 3.412 -3.257) 4.717 11.478 ( 0.000 -1.426 0.524) 1.519 12.505 ( -0.000 100.408 -88.083) 133.568 15.919 ( 0.000 -0.690 7.255) 7.288 18.532 ( -0.000 11.526 -17.427) 20.894 ======================= Grid point 789 (280/670) ======================= q-point: ( 0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 25.771 29.950 19.370) 44.004 2.078 ( 12.807 22.116 37.268) 45.189 3.237 ( 29.835 61.172 26.502) 73.038 4.962 ( 1.272 5.224 -6.995) 8.823 5.278 ( 13.323 19.332 -7.363) 24.606 8.125 ( -1.931 -5.172 -3.222) 6.392 8.930 ( 5.816 2.330 -0.197) 6.269 11.434 ( -2.638 -1.646 0.035) 3.110 11.503 ( 1.588 1.021 -1.548) 2.442 13.200 ( 22.396 32.413 -63.141) 74.424 15.903 ( -2.696 -5.925 11.481) 13.198 18.537 ( -2.915 4.878 -22.845) 23.541 ======================= Grid point 790 (281/670) ======================= q-point: ( 0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 19.501 20.371 28.954) 40.418 2.717 ( 28.293 29.441 15.478) 43.667 4.441 ( 37.917 47.432 18.753) 63.555 5.040 ( 3.606 7.800 -8.047) 11.773 5.806 ( 26.985 27.071 -8.336) 39.122 8.055 ( -0.855 -2.039 -5.631) 6.049 9.075 ( 7.368 4.478 0.610) 8.644 11.366 ( -3.404 -1.557 -0.379) 3.762 11.510 ( -0.049 -2.297 -1.616) 2.809 13.466 ( 10.235 5.782 -38.651) 40.399 15.780 ( -7.741 -11.140 17.584) 22.209 18.375 ( -8.888 -0.679 -25.611) 27.118 ======================= Grid point 791 (282/670) ======================= q-point: ( 0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 23.042 19.452 19.895) 36.126 3.512 ( 27.088 28.072 12.265) 40.893 5.166 ( 6.744 10.323 -8.331) 14.881 5.442 ( 28.397 28.865 13.487) 42.679 6.660 ( 40.596 34.737 -9.587) 54.283 8.030 ( 1.297 1.287 -4.220) 4.598 9.265 ( 8.544 6.780 1.166) 10.969 11.291 ( -3.543 -1.608 -0.940) 4.003 11.440 ( -3.042 -4.809 -1.867) 5.989 13.475 ( 2.431 -2.584 -24.415) 24.671 15.550 ( -12.536 -14.586 22.564) 29.649 18.082 ( -12.591 -4.203 -26.479) 29.620 ======================= Grid point 792 (283/670) ======================= q-point: ( 0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 25.060 17.466 11.963) 32.805 4.209 ( 21.087 23.898 9.284) 33.196 5.388 ( 9.535 14.886 -8.588) 19.654 6.120 ( 22.010 18.600 10.426) 30.644 7.500 ( 22.945 16.330 -18.508) 33.700 8.240 ( 20.753 18.991 5.518) 28.667 9.496 ( 9.416 8.774 1.648) 12.975 11.204 ( -2.511 -4.948 -1.315) 5.702 11.350 ( -2.683 -0.217 -0.564) 2.750 13.359 ( -2.857 -6.011 -17.612) 18.828 15.225 ( -17.402 -16.774 23.696) 33.849 17.728 ( -13.051 -6.450 -24.107) 28.161 ======================= Grid point 793 (284/670) ======================= q-point: ( 0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.505 ( 23.702 13.043 6.294) 27.776 4.717 ( 13.262 18.806 4.054) 23.366 5.729 ( 13.270 20.362 -5.853) 24.999 6.628 ( 16.841 13.454 7.863) 22.945 7.653 ( 1.977 0.602 -17.060) 17.185 8.971 ( 27.478 23.981 3.768) 36.665 9.754 ( 9.553 10.328 2.141) 14.231 11.148 ( 2.915 -4.645 -0.350) 5.495 11.380 ( 3.705 6.879 1.618) 7.980 13.167 ( -5.695 -6.978 -13.975) 16.626 14.795 ( -22.328 -17.804 19.076) 34.343 17.386 ( -11.023 -8.099 -17.821) 22.466 ======================= Grid point 794 (285/670) ======================= q-point: ( 0.47 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.908 ( 10.100 7.356 2.877) 12.821 5.144 ( 18.596 16.991 -2.087) 25.276 6.144 ( 12.319 21.696 -2.492) 25.074 6.977 ( 9.158 8.686 1.993) 12.778 7.600 ( -1.306 -0.762 -9.483) 9.603 9.479 ( 11.851 12.829 0.708) 17.480 10.018 ( 8.290 11.290 2.508) 14.229 11.182 ( 3.605 -1.424 -1.609) 4.196 11.663 ( 16.621 11.613 3.817) 20.632 12.987 ( -2.903 -4.650 -8.021) 9.715 14.275 ( -24.634 -16.955 10.459) 31.681 17.091 ( -8.714 -9.557 -10.224) 16.486 ======================= Grid point 795 (286/670) ======================= q-point: ( 0.53 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.079 ( 3.281 6.247 0.300) 7.062 5.598 ( 18.836 13.315 -6.967) 24.097 6.502 ( 7.134 18.193 -0.425) 19.546 7.075 ( -2.435 2.882 -8.484) 9.285 7.589 ( 0.851 1.890 4.505) 4.959 9.711 ( 6.387 7.997 -0.284) 10.238 10.251 ( 5.031 11.344 2.643) 12.688 11.216 ( 2.882 -1.237 -2.562) 4.050 11.998 ( 7.507 6.844 -4.004) 10.920 13.005 ( 7.237 0.610 8.492) 11.175 13.769 ( -17.843 -12.267 -0.119) 21.653 16.841 ( -6.815 -10.215 -4.604) 13.115 ======================= Grid point 796 (287/670) ======================= q-point: ( 0.58 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.160 ( 0.174 5.100 -0.722) 5.154 5.950 ( 12.628 9.150 -13.947) 20.922 6.709 ( 1.509 9.601 1.002) 9.770 6.997 ( -5.809 6.700 -6.469) 10.976 7.645 ( -0.386 1.657 9.220) 9.375 9.878 ( 5.288 6.405 -0.728) 8.338 10.404 ( -0.345 9.650 2.194) 9.903 11.244 ( 3.598 -2.114 -2.463) 4.846 12.020 ( -4.445 2.663 -11.396) 12.519 13.041 ( -9.955 -5.304 16.492) 19.981 13.650 ( 12.212 -0.349 -1.773) 12.345 16.652 ( -2.870 -8.515 -1.665) 9.139 ======================= Grid point 797 (288/670) ======================= q-point: (-0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( -2.309 3.547 -1.087) 4.370 6.028 ( -2.891 0.032 -18.723) 18.944 6.822 ( 0.754 10.695 3.114) 11.165 7.005 ( -0.899 9.383 -3.193) 9.952 7.645 ( -3.740 -1.173 9.940) 10.685 9.980 ( 0.447 3.368 -0.131) 3.400 10.431 ( -5.735 5.693 0.999) 8.143 11.283 ( 3.275 -0.979 -1.256) 3.642 11.893 ( -6.903 1.552 -14.680) 16.296 12.893 ( -5.365 -0.923 10.152) 11.519 13.853 ( 8.501 -4.455 6.047) 11.343 16.610 ( 6.187 -3.453 0.301) 7.092 ======================= Grid point 798 (289/670) ======================= q-point: (-0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.141 ( -4.927 1.104 -1.250) 5.202 5.798 ( -12.904 -5.307 -14.962) 20.458 6.827 ( -15.975 13.898 2.758) 21.353 7.169 ( 10.357 4.483 -8.427) 14.085 7.586 ( -3.380 -2.562 12.829) 13.512 9.948 ( -5.676 -0.188 1.619) 5.905 10.339 ( -9.639 1.999 -0.062) 9.845 11.310 ( 0.433 -0.176 -0.172) 0.498 11.743 ( -6.942 0.901 -16.394) 17.826 12.927 ( 3.526 3.492 8.040) 9.448 13.855 ( -1.021 -8.807 5.711) 10.546 16.804 ( 16.499 1.998 3.149) 16.915 ======================= Grid point 799 (290/670) ======================= q-point: (-0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.017 ( -8.508 -3.590 -1.579) 9.368 5.435 ( -18.799 -5.642 -10.323) 22.177 6.617 ( -23.036 9.669 2.130) 25.074 7.170 ( -7.150 -5.387 -5.716) 10.621 7.679 ( 8.854 3.332 6.652) 11.565 9.832 ( -8.024 -1.209 3.895) 9.001 10.155 ( -12.687 -0.760 -0.598) 12.724 11.276 ( -2.584 -4.312 -1.757) 5.325 11.540 ( -12.371 0.677 -12.197) 17.386 13.091 ( 7.884 4.380 4.335) 10.007 13.790 ( 2.563 -4.507 2.594) 5.798 17.182 ( 21.942 4.729 5.873) 23.201 ======================= Grid point 800 (291/670) ======================= q-point: (-0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( -15.740 -12.869 -2.719) 20.512 5.017 ( -23.577 -1.122 -5.309) 24.193 6.280 ( -25.753 5.274 1.225) 26.316 6.885 ( -15.641 -9.621 -0.860) 18.383 7.863 ( 6.917 2.755 -1.409) 7.578 9.628 ( -18.596 -5.754 5.875) 20.333 9.910 ( -13.802 -2.697 -0.995) 14.098 11.090 ( -5.652 -10.094 -7.076) 13.561 11.369 ( -8.081 5.964 -2.018) 10.244 13.273 ( 8.879 3.951 -3.914) 10.476 13.923 ( 12.800 2.835 3.433) 13.552 17.634 ( 23.014 5.365 6.783) 24.585 ======================= Grid point 801 (292/670) ======================= q-point: (-0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( -25.714 -17.366 -2.021) 31.095 4.569 ( -29.228 -1.069 -1.808) 29.304 5.903 ( -22.848 2.151 0.033) 22.949 6.472 ( -21.665 -11.299 1.424) 24.476 7.944 ( 2.099 1.137 -6.640) 7.056 9.022 ( -41.541 -17.620 6.235) 45.553 9.650 ( -13.701 -2.650 -1.129) 14.001 11.035 ( 8.164 -1.124 -4.361) 9.324 11.322 ( -3.990 4.860 -0.073) 6.289 13.446 ( 10.028 4.588 -10.698) 15.365 14.253 ( 18.352 6.118 6.405) 20.377 18.077 ( 21.412 4.688 5.157) 22.517 ======================= Grid point 802 (293/670) ======================= q-point: (-0.11 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( -32.312 -16.333 1.822) 36.251 3.978 ( -37.679 -4.582 0.004) 37.956 5.581 ( -16.838 0.511 -1.256) 16.893 5.947 ( -29.008 -12.345 3.665) 31.738 7.775 ( -31.363 -10.416 -12.732) 35.415 8.198 ( -21.854 -10.742 9.245) 26.047 9.400 ( -12.778 -2.048 -1.456) 13.023 11.223 ( 11.946 2.306 -2.192) 12.363 11.323 ( -0.551 3.340 -0.216) 3.392 13.633 ( 11.433 5.575 -14.651) 19.402 14.666 ( 20.052 6.623 9.306) 23.077 18.456 ( 17.968 2.927 0.877) 18.226 ======================= Grid point 808 (294/670) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.000 37.675 17.215) 41.422 2.329 ( 0.000 24.277 37.698) 44.838 3.730 ( 0.000 67.807 24.672) 72.156 4.983 ( -0.000 5.799 -6.915) 9.025 5.361 ( -0.000 26.770 -9.472) 28.396 8.076 ( -0.000 -4.737 -4.274) 6.380 8.904 ( -0.000 4.653 -0.987) 4.756 11.440 ( 0.000 -2.772 0.562) 2.829 11.489 ( -0.000 0.136 -2.073) 2.077 13.142 ( -0.000 27.895 -54.167) 60.928 15.893 ( 0.000 -9.160 12.660) 15.627 18.545 ( -0.000 4.083 -22.692) 23.056 ======================= Grid point 809 (295/670) ======================= q-point: ( 0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 18.716 35.398 15.820) 43.053 2.751 ( 8.613 24.579 30.872) 40.391 4.571 ( 15.857 57.099 20.117) 62.582 5.044 ( 2.617 8.315 -7.732) 11.652 5.733 ( 13.283 34.996 -10.714) 38.935 8.024 ( -0.182 -1.786 -5.604) 5.885 9.008 ( 5.807 6.076 -0.385) 8.413 11.395 ( -2.022 -2.316 -0.078) 3.075 11.474 ( 0.190 -3.409 -2.147) 4.033 13.254 ( 7.479 9.713 -38.855) 40.743 15.802 ( -3.220 -13.956 16.164) 21.596 18.437 ( -6.809 0.707 -23.876) 24.838 ======================= Grid point 810 (296/670) ======================= q-point: ( 0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 13.817 22.693 24.543) 36.169 3.420 ( 24.047 33.312 11.810) 42.748 5.157 ( 5.190 13.179 -7.551) 16.051 5.402 ( 18.540 34.814 13.525) 41.697 6.426 ( 27.449 43.215 -10.841) 52.331 8.014 ( 1.116 2.853 -4.374) 5.340 9.197 ( 8.334 8.069 0.397) 11.607 11.327 ( -3.476 -2.955 -1.622) 4.842 11.413 ( -0.667 -5.583 -1.622) 5.852 13.300 ( 5.505 -1.051 -26.174) 26.767 15.622 ( -6.865 -17.934 20.177) 27.855 18.184 ( -12.608 -2.380 -24.644) 27.784 ======================= Grid point 811 (297/670) ======================= q-point: ( 0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 17.508 20.508 16.463) 31.593 4.144 ( 21.253 28.698 9.550) 36.966 5.380 ( 7.801 18.183 -9.155) 21.801 6.018 ( 17.927 22.706 10.296) 30.708 7.236 ( 24.959 27.562 -16.273) 40.589 8.176 ( 11.355 19.123 3.228) 22.474 9.438 ( 9.371 10.512 1.193) 14.133 11.192 ( -4.360 -8.593 -2.384) 9.926 11.373 ( -0.278 0.307 -0.874) 0.967 13.248 ( 1.376 -6.311 -18.749) 19.830 15.358 ( -11.001 -20.511 22.494) 32.368 17.831 ( -15.161 -5.117 -23.543) 28.466 ======================= Grid point 812 (298/670) ======================= q-point: ( 0.42 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.316 ( 19.006 16.861 9.764) 27.219 4.707 ( 13.812 21.669 5.234) 26.224 5.727 ( 11.592 25.307 -7.170) 28.745 6.525 ( 16.308 17.220 7.888) 24.994 7.548 ( 6.116 4.402 -18.209) 19.707 8.816 ( 24.963 32.955 5.823) 41.750 9.716 ( 9.602 12.858 2.082) 16.182 11.051 ( -0.002 -9.096 -0.811) 9.132 11.408 ( 1.579 5.973 -0.766) 6.225 13.111 ( -2.276 -8.347 -15.006) 17.322 14.998 ( -16.377 -21.477 20.555) 33.941 17.451 ( -13.845 -7.981 -19.091) 24.897 ======================= Grid point 813 (299/670) ======================= q-point: ( 0.47 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 16.027 11.577 4.775) 20.339 5.088 ( 9.919 18.327 -0.504) 20.845 6.171 ( 12.088 26.345 -3.286) 29.171 6.931 ( 10.876 14.575 2.703) 18.386 7.569 ( 1.202 1.815 -11.530) 11.733 9.441 ( 13.217 22.167 2.666) 25.946 10.013 ( 8.808 14.748 2.800) 17.404 11.048 ( 7.631 -5.468 -0.387) 9.395 11.569 ( 8.892 11.511 0.636) 14.559 12.943 ( -2.469 -7.246 -11.277) 13.630 14.531 ( -21.744 -20.387 14.240) 33.033 17.106 ( -10.229 -11.151 -12.089) 19.369 ======================= Grid point 814 (300/670) ======================= q-point: ( 0.53 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( 7.023 7.991 1.267) 10.714 5.445 ( 13.601 16.863 -5.474) 22.345 6.563 ( 8.186 18.638 -0.522) 20.363 7.142 ( -0.133 11.866 -8.511) 14.604 7.617 ( 2.096 7.150 2.742) 7.939 9.727 ( 3.302 12.563 0.780) 13.013 10.301 ( 6.501 15.868 3.273) 17.457 11.120 ( 5.328 -3.844 -2.923) 7.191 11.904 ( 13.153 12.170 -0.813) 17.938 12.879 ( 5.953 -3.063 -2.202) 7.048 13.997 ( -23.316 -17.121 6.429) 29.633 16.816 ( -6.702 -13.696 -5.759) 16.299 ======================= Grid point 815 (301/670) ======================= q-point: ( 0.58 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.211 ( 1.382 7.031 -0.643) 7.195 5.797 ( 12.932 13.477 -11.417) 21.890 6.760 ( 1.722 5.065 -0.743) 5.402 7.188 ( -4.200 15.442 -6.076) 17.118 7.746 ( -1.934 11.995 7.922) 14.504 9.878 ( 3.084 9.331 -0.466) 9.838 10.537 ( 1.136 15.659 3.176) 16.018 11.135 ( 3.935 -4.788 -3.907) 7.326 12.093 ( -0.988 8.349 -8.392) 11.878 13.077 ( 11.947 -1.994 14.362) 18.788 13.537 ( -11.310 -10.770 -2.700) 15.849 16.585 ( -3.079 -13.963 -2.109) 14.453 ======================= Grid point 816 (302/670) ======================= q-point: ( 0.63 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.262 ( -1.974 5.515 -1.462) 6.038 6.002 ( 3.042 7.772 -17.779) 19.640 6.809 ( 3.989 2.845 0.317) 4.909 7.261 ( -5.678 15.667 1.885) 16.770 7.798 ( -8.785 11.761 6.645) 16.114 10.005 ( 2.131 7.048 -0.936) 7.422 10.621 ( -6.923 9.755 0.725) 11.984 11.182 ( 6.657 -1.268 -1.425) 6.925 12.032 ( -9.605 6.617 -11.425) 16.327 13.039 ( -9.822 -3.424 10.709) 14.929 13.589 ( 17.111 -7.731 3.635) 19.125 16.458 ( 3.731 -10.655 -0.461) 11.298 ======================= Grid point 817 (303/670) ======================= q-point: (-0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.240 ( -4.894 2.644 -1.875) 5.870 5.925 ( -9.924 2.722 -15.952) 18.983 6.991 ( 11.539 5.599 -4.656) 13.644 7.282 ( -11.512 14.973 7.027) 20.151 7.726 ( -12.425 7.018 5.827) 15.414 10.048 ( -3.530 3.812 0.139) 5.197 10.534 ( -9.793 3.773 -1.340) 10.580 11.282 ( 3.569 1.052 0.788) 3.803 11.876 ( -10.785 6.998 -12.730) 18.093 12.961 ( -1.639 1.717 6.942) 7.336 13.717 ( 7.553 -13.435 6.378) 16.680 16.533 ( 14.519 -5.126 1.262) 15.449 ======================= Grid point 818 (304/670) ======================= q-point: (-0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.128 ( -8.494 -2.058 -2.204) 9.013 5.678 ( -16.494 2.639 -10.677) 19.825 7.117 ( -3.713 -0.125 -3.760) 5.286 7.227 ( -16.754 20.026 -1.263) 26.140 7.631 ( -1.088 -0.223 8.818) 8.888 9.978 ( -7.684 2.378 2.216) 8.343 10.372 ( -12.178 1.278 -1.316) 12.316 11.275 ( -2.947 -4.789 -1.602) 5.847 11.742 ( -11.024 9.601 -9.618) 17.500 13.034 ( 4.518 2.507 4.570) 6.898 13.679 ( 3.524 -11.510 4.110) 12.719 16.833 ( 23.109 -1.269 3.334) 23.383 ======================= Grid point 819 (305/670) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( -14.327 -7.495 -2.126) 16.308 5.375 ( -20.320 4.153 -6.148) 21.632 6.884 ( -29.918 12.772 4.364) 32.822 7.016 ( -13.269 -4.529 -6.866) 15.611 7.755 ( 8.474 1.661 1.981) 8.860 9.870 ( -10.710 2.411 4.698) 11.941 10.139 ( -15.379 -0.783 -0.929) 15.427 11.080 ( -7.961 -11.700 -5.100) 15.042 11.613 ( -12.919 9.882 -3.252) 16.587 13.156 ( 7.016 1.346 -2.536) 7.580 13.738 ( 11.198 -2.618 4.669) 12.412 17.262 ( 26.395 0.170 4.028) 26.702 ======================= Grid point 820 (306/670) ======================= q-point: (-0.16 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( -22.058 -9.928 -0.480) 24.194 5.027 ( -24.819 3.512 -3.083) 25.255 6.446 ( -34.448 9.742 0.151) 35.800 6.695 ( -16.186 -9.051 -0.202) 18.546 7.881 ( 4.866 1.424 -4.256) 6.620 9.544 ( -32.121 -6.805 5.107) 33.229 9.874 ( -14.524 -0.582 -0.047) 14.536 10.892 ( 2.247 -6.244 -4.090) 7.795 11.495 ( -10.092 7.184 -0.859) 12.417 13.288 ( 9.199 2.651 -9.815) 13.710 14.013 ( 17.994 2.412 7.971) 19.828 17.716 ( 25.821 0.062 2.368) 25.930 ======================= Grid point 821 (307/670) ======================= q-point: (-0.11 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( -29.013 -8.610 3.013) 30.413 4.565 ( -33.028 1.304 -0.671) 33.060 5.975 ( -28.326 4.185 -2.240) 28.721 6.295 ( -22.785 -7.428 3.102) 24.165 7.912 ( -1.140 1.374 -9.621) 9.785 8.757 ( -47.936 -13.203 6.570) 50.153 9.623 ( -15.013 -0.053 -0.080) 15.014 11.010 ( 13.357 0.542 -2.332) 13.570 11.411 ( -6.000 3.865 -0.405) 7.148 13.451 ( 10.712 4.301 -13.378) 17.669 14.403 ( 20.957 3.434 10.920) 23.880 18.121 ( 22.760 -1.240 -1.770) 22.862 ======================= Grid point 828 (308/670) ======================= q-point: ( 0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 0.000 38.582 13.472) 40.866 3.025 ( 0.000 24.987 29.867) 38.941 5.045 ( 0.000 49.853 18.004) 53.004 5.071 ( -0.000 8.392 -7.911) 11.533 5.975 ( -0.000 45.914 -12.307) 47.535 8.001 ( -0.000 1.068 -5.253) 5.360 9.025 ( -0.000 8.315 -0.327) 8.321 11.383 ( 0.000 -3.301 0.303) 3.314 11.424 ( -0.000 -5.526 -3.222) 6.397 13.160 ( -0.000 6.266 -32.023) 32.630 15.730 ( 0.000 -17.490 16.766) 24.228 18.424 ( -0.000 -0.702 -23.336) 23.347 ======================= Grid point 829 (309/670) ======================= q-point: ( 0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( 6.136 25.270 24.293) 35.586 3.456 ( 14.590 34.990 12.063) 39.783 5.171 ( 4.317 11.451 -8.465) 14.881 5.569 ( 7.229 33.937 12.356) 36.833 6.517 ( 11.991 50.326 -12.001) 53.109 8.032 ( 1.039 8.168 -2.962) 8.750 9.163 ( 5.631 10.030 0.283) 11.506 11.322 ( -2.423 -7.674 -3.291) 8.694 11.359 ( 0.665 -3.659 -0.352) 3.736 13.135 ( 3.348 -0.024 -23.686) 23.921 15.576 ( -2.907 -20.899 18.445) 28.026 18.263 ( -8.083 -2.812 -22.996) 24.536 ======================= Grid point 830 (310/670) ======================= q-point: ( 0.37 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 9.804 22.190 18.376) 30.434 4.113 ( 19.559 30.134 9.519) 37.165 5.392 ( 8.812 18.080 -9.089) 22.071 6.028 ( 11.069 23.559 8.262) 27.309 7.134 ( 15.006 31.107 -15.596) 37.896 8.246 ( 7.578 26.437 3.297) 27.698 9.395 ( 8.876 12.018 1.070) 14.978 11.161 ( -4.217 -11.054 -2.948) 12.193 11.360 ( 1.720 -0.012 -0.734) 1.871 13.096 ( 2.473 -5.090 -17.622) 18.508 15.352 ( -5.838 -23.429 19.901) 31.290 17.962 ( -14.179 -5.080 -21.840) 26.530 ======================= Grid point 831 (311/670) ======================= q-point: ( 0.42 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 12.732 18.779 11.870) 25.606 4.691 ( 15.575 21.821 6.089) 27.492 5.760 ( 12.206 26.674 -7.631) 30.310 6.461 ( 14.333 17.859 5.988) 23.669 7.441 ( 6.911 9.269 -16.812) 20.404 8.827 ( 17.941 39.648 6.079) 43.941 9.689 ( 10.178 14.273 2.116) 17.658 10.975 ( -3.240 -11.435 -1.466) 11.976 11.418 ( 3.243 4.606 -1.469) 5.822 13.000 ( -0.118 -7.847 -14.253) 16.271 15.056 ( -9.641 -24.621 19.354) 32.768 17.572 ( -16.496 -7.790 -18.796) 26.193 ======================= Grid point 832 (312/670) ======================= q-point: ( 0.47 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 13.499 14.189 6.282) 20.568 5.100 ( 10.492 17.222 1.042) 20.193 6.214 ( 11.675 25.954 -3.150) 28.633 6.888 ( 14.417 17.670 0.493) 22.810 7.532 ( 2.962 5.994 -10.797) 12.699 9.487 ( 13.810 31.595 4.216) 34.738 10.017 ( 10.097 16.305 3.225) 19.448 10.866 ( 3.964 -9.423 -0.291) 10.227 11.558 ( 5.988 10.279 -1.753) 12.025 12.863 ( -1.494 -7.735 -11.676) 14.085 14.675 ( -14.826 -23.789 15.589) 32.074 17.162 ( -14.664 -11.262 -13.472) 22.877 ======================= Grid point 833 (313/670) ======================= q-point: ( 0.53 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.005 ( 10.741 9.326 1.881) 14.349 5.419 ( 9.189 17.222 -3.486) 19.829 6.575 ( 8.309 13.425 0.658) 15.802 7.217 ( 4.812 16.355 -10.829) 20.197 7.677 ( 5.659 15.931 2.748) 17.128 9.854 ( 0.581 18.935 2.128) 19.063 10.348 ( 8.583 17.196 3.913) 19.613 10.926 ( 10.587 -6.647 -1.651) 12.609 11.819 ( 11.393 14.325 -1.321) 18.351 12.759 ( 1.550 -5.228 -7.325) 9.132 14.210 ( -19.642 -20.584 9.764) 30.081 16.792 ( -10.260 -14.897 -7.367) 19.531 ======================= Grid point 834 (314/670) ======================= q-point: ( 0.58 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.217 ( 5.590 6.408 -0.970) 8.559 5.724 ( 9.626 16.606 -8.165) 20.859 6.747 ( 3.528 2.350 0.015) 4.239 7.332 ( -0.590 10.367 -5.624) 11.809 7.992 ( 1.090 28.846 4.959) 29.289 9.973 ( -2.444 12.422 0.198) 12.662 10.656 ( 6.018 17.604 4.759) 19.203 10.992 ( 5.428 -6.613 -4.515) 9.674 12.130 ( 7.264 13.550 -4.599) 16.047 12.818 ( 13.266 -4.240 2.010) 14.071 13.714 ( -20.397 -15.445 4.305) 25.945 16.490 ( -5.222 -16.903 -2.864) 17.922 ======================= Grid point 835 (315/670) ======================= q-point: ( 0.63 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.318 ( 0.990 4.568 -2.393) 5.251 5.979 ( 6.039 14.311 -13.507) 20.584 6.783 ( 1.374 0.473 -0.538) 1.550 7.396 ( 0.024 3.947 4.684) 6.125 8.229 ( -11.013 33.353 2.335) 35.202 10.055 ( 0.129 9.244 -1.249) 9.329 10.827 ( -6.095 8.313 -0.278) 10.311 11.040 ( 9.319 1.151 -0.124) 9.391 12.235 ( -6.358 12.395 -8.589) 16.366 13.079 ( 16.213 -7.902 12.742) 22.083 13.319 ( -8.886 -9.918 -1.725) 13.427 16.286 ( 0.944 -15.581 -0.734) 15.627 ======================= Grid point 836 (316/670) ======================= q-point: (-0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.325 ( -2.982 2.084 -2.888) 4.645 6.071 ( -4.842 11.445 -15.014) 19.490 6.859 ( 7.047 2.701 -2.570) 7.972 7.434 ( 0.241 -1.794 11.660) 11.800 8.268 ( -22.791 32.297 -0.023) 39.528 10.131 ( -0.523 6.711 -1.227) 6.842 10.711 ( -9.187 0.906 -3.397) 9.837 11.226 ( 5.931 3.888 2.540) 7.533 12.149 ( -13.342 13.040 -8.363) 20.445 13.053 ( -6.121 -0.838 5.500) 8.272 13.380 ( 17.257 -16.769 5.383) 24.658 16.245 ( 10.376 -11.051 0.282) 15.161 ======================= Grid point 837 (317/670) ======================= q-point: (-0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.238 ( -7.069 -0.997 -2.622) 7.605 5.965 ( -14.175 10.179 -10.966) 20.610 7.004 ( 7.651 0.557 -8.466) 11.425 7.469 ( 2.593 -2.524 15.249) 15.672 8.095 ( -31.519 26.776 -1.451) 41.382 10.139 ( -5.603 5.812 0.479) 8.087 10.552 ( -9.284 0.196 -2.747) 9.684 11.266 ( -1.832 -4.596 -0.338) 4.959 12.049 ( -12.974 17.075 -5.611) 22.167 13.019 ( 0.142 -0.164 2.635) 2.644 13.453 ( 9.986 -16.245 5.239) 19.775 16.430 ( 20.949 -6.340 1.378) 21.931 ======================= Grid point 838 (318/670) ======================= q-point: (-0.21 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.051 ( -11.988 -3.439 -1.452) 12.556 5.747 ( -19.162 8.888 -7.023) 22.260 7.005 ( -1.821 -5.317 -5.849) 8.111 7.584 ( 0.848 5.035 8.655) 10.049 7.743 ( -30.286 14.734 -2.065) 33.743 10.085 ( -8.353 7.244 3.056) 11.472 10.369 ( -12.386 -0.492 -1.412) 12.476 11.089 ( -8.063 -11.688 -3.275) 14.572 11.964 ( -15.595 14.810 -2.409) 21.641 13.047 ( 4.557 -2.344 -2.483) 5.694 13.522 ( 11.559 -6.808 5.800) 14.615 16.799 ( 27.339 -3.760 1.623) 27.644 ======================= Grid point 839 (319/670) ======================= q-point: (-0.16 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.762 ( -18.022 -3.974 0.724) 18.470 5.454 ( -22.460 6.166 -4.248) 23.675 6.831 ( -9.868 -6.801 -3.062) 12.370 7.197 ( -40.935 12.448 0.992) 42.798 7.775 ( 7.937 0.375 -1.274) 8.048 9.979 ( -18.708 4.676 4.702) 19.848 10.109 ( -14.936 -1.646 0.071) 15.027 10.827 ( -5.272 -10.022 -3.372) 11.816 11.792 ( -16.597 8.274 -1.164) 18.581 13.124 ( 8.393 0.283 -8.900) 12.236 13.756 ( 17.018 -0.480 8.981) 19.248 17.245 ( 28.699 -3.045 -0.139) 28.861 ======================= Grid point 840 (320/670) ======================= q-point: (-0.11 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -24.384 -2.146 3.811) 24.773 5.081 ( -26.733 3.110 -1.895) 26.980 6.493 ( -24.978 -4.090 -6.876) 26.228 6.663 ( -30.165 4.545 6.375) 31.164 7.871 ( 4.027 1.150 -6.260) 7.532 9.446 ( -41.453 -5.459 3.297) 41.941 9.883 ( -14.992 0.725 1.887) 15.128 10.807 ( 9.004 -0.541 -1.515) 9.146 11.597 ( -12.310 3.193 -0.993) 12.756 13.267 ( 10.543 2.935 -12.163) 16.362 14.112 ( 20.589 0.998 12.080) 23.892 17.672 ( 26.525 -3.721 -4.095) 27.096 ======================= Grid point 848 (321/670) ======================= q-point: ( 0.32 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 0.000 24.232 21.158) 32.169 3.701 ( 0.000 34.938 11.394) 36.749 5.211 ( -0.000 12.017 -8.550) 14.748 5.851 ( 0.000 28.364 8.068) 29.489 6.855 ( -0.000 44.301 -13.191) 46.224 8.146 ( -0.000 20.313 0.352) 20.316 9.221 ( -0.000 11.822 0.716) 11.844 11.241 ( -0.000 -10.338 -3.464) 10.903 11.322 ( 0.000 -2.955 -0.231) 2.964 13.035 ( -0.000 -1.181 -18.915) 18.952 15.444 ( 0.000 -23.509 17.702) 29.429 18.226 ( -0.000 -4.461 -21.736) 22.189 ======================= Grid point 849 (322/670) ======================= q-point: ( 0.37 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( 3.602 22.310 16.829) 28.176 4.161 ( 11.855 29.280 9.439) 32.969 5.382 ( 7.997 16.920 -8.496) 20.553 6.150 ( 3.919 22.345 4.749) 23.177 7.199 ( 5.017 24.924 -14.917) 29.477 8.465 ( 4.379 37.408 4.092) 37.885 9.395 ( 5.751 13.347 1.325) 14.594 11.104 ( -2.822 -10.969 -2.332) 11.564 11.314 ( 2.282 -1.450 -0.700) 2.793 12.971 ( 0.994 -3.451 -14.664) 15.097 15.243 ( -2.452 -25.464 17.356) 30.914 18.033 ( -8.436 -6.466 -20.155) 22.786 ======================= Grid point 850 (323/670) ======================= q-point: ( 0.42 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 6.773 18.972 11.695) 23.294 4.657 ( 14.453 20.170 6.298) 25.600 5.762 ( 15.192 25.857 -7.331) 30.873 6.445 ( 8.219 15.784 2.736) 18.004 7.402 ( 4.253 12.275 -13.530) 18.757 9.007 ( 10.742 42.241 4.669) 43.835 9.669 ( 9.608 15.002 2.177) 17.947 10.932 ( -4.582 -10.035 -0.757) 11.057 11.376 ( 5.146 2.341 -1.336) 5.809 12.894 ( -0.317 -5.064 -11.896) 12.933 14.985 ( -4.969 -26.491 16.472) 31.587 17.701 ( -14.682 -8.736 -17.620) 24.542 ======================= Grid point 851 (324/670) ======================= q-point: ( 0.47 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.646 ( 8.917 14.780 6.659) 18.502 5.062 ( 12.811 14.409 2.218) 19.408 6.259 ( 12.285 26.221 -3.694) 29.191 6.781 ( 16.070 14.425 -1.767) 21.666 7.527 ( 3.155 10.344 -8.125) 13.526 9.599 ( 12.766 33.704 3.440) 36.204 10.007 ( 11.248 16.482 3.446) 20.249 10.771 ( -3.407 -8.082 0.136) 8.772 11.528 ( 7.830 8.096 -2.100) 11.457 12.789 ( -1.932 -4.855 -9.827) 11.129 14.671 ( -8.253 -26.124 14.141) 30.831 17.281 ( -17.204 -11.464 -13.743) 24.825 ======================= Grid point 852 (325/670) ======================= q-point: ( 0.53 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.936 ( 9.252 10.220 2.338) 13.983 5.397 ( 11.262 13.924 -1.498) 17.971 6.573 ( 5.591 10.671 0.521) 12.058 7.208 ( 12.521 18.649 -10.812) 24.929 7.729 ( 9.172 18.230 2.299) 20.536 10.039 ( 4.778 22.086 2.304) 22.715 10.370 ( 10.544 17.158 4.440) 20.623 10.696 ( 4.647 -7.201 -0.470) 8.583 11.777 ( 10.046 13.803 -2.753) 17.293 12.689 ( -1.519 -3.189 -7.333) 8.139 14.297 ( -12.413 -23.745 10.314) 28.711 16.840 ( -15.566 -14.551 -8.835) 23.067 ======================= Grid point 853 (326/670) ======================= q-point: ( 0.58 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( 7.527 6.325 -0.931) 9.876 5.703 ( 9.947 15.023 -4.940) 18.682 6.704 ( 3.617 1.724 0.964) 4.122 7.404 ( 0.555 9.879 -6.413) 11.790 8.201 ( 12.641 32.130 3.439) 34.698 10.192 ( -6.200 14.672 0.848) 15.951 10.694 ( 8.731 12.281 2.463) 15.268 10.790 ( 11.001 -2.665 0.420) 11.327 12.094 ( 11.160 15.441 -3.104) 19.303 12.646 ( 2.468 -3.037 -3.876) 5.508 13.876 ( -15.852 -19.149 6.294) 25.644 16.443 ( -10.690 -17.005 -4.196) 20.519 ======================= Grid point 854 (327/670) ======================= q-point: ( 0.63 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( 4.344 3.629 -2.865) 6.344 5.980 ( 7.744 15.600 -8.503) 19.381 6.757 ( 2.088 -0.116 0.444) 2.138 7.441 ( -1.649 2.405 2.146) 3.620 8.682 ( 1.826 37.633 1.191) 37.696 10.197 ( -6.342 10.484 -1.016) 12.295 10.834 ( 6.074 -5.536 -4.326) 9.287 11.018 ( 4.775 15.542 6.003) 17.332 12.378 ( 4.427 15.456 -5.311) 16.932 12.699 ( 12.657 -10.283 1.796) 16.406 13.469 ( -15.427 -12.423 3.657) 20.141 16.143 ( -3.910 -17.178 -1.233) 17.661 ======================= Grid point 855 (328/670) ======================= q-point: ( 0.68 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.355 ( 0.292 1.648 -3.374) 3.766 6.188 ( 2.105 15.832 -11.514) 19.689 6.794 ( 2.576 0.938 -0.848) 2.869 7.425 ( -0.594 -4.721 8.994) 10.175 8.950 ( -14.687 38.094 -0.312) 40.828 10.203 ( -1.834 6.690 -1.841) 7.178 10.807 ( -2.992 -1.690 -3.813) 5.133 11.220 ( 2.060 9.162 3.902) 10.169 12.463 ( -8.584 15.535 -5.678) 18.635 12.877 ( 21.989 -19.007 5.276) 29.540 13.182 ( -9.723 -4.428 2.351) 10.939 15.992 ( 4.803 -14.232 -0.023) 15.021 ======================= Grid point 856 (329/670) ======================= q-point: (-0.26 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.321 ( -4.191 0.149 -2.575) 4.921 6.252 ( -8.593 15.470 -11.064) 20.871 6.865 ( 5.893 0.361 -5.197) 7.866 7.409 ( 2.622 -8.254 13.323) 15.890 8.908 ( -29.984 31.399 -1.046) 43.428 10.252 ( -0.114 6.929 -1.156) 7.026 10.692 ( -8.563 0.591 -2.255) 8.875 11.258 ( -2.467 -2.683 0.296) 3.657 12.431 ( -11.893 18.314 -1.640) 21.898 13.001 ( 6.315 -14.036 -2.992) 15.679 13.099 ( 8.383 -7.399 7.841) 13.656 16.046 ( 15.466 -9.501 0.403) 18.155 ======================= Grid point 857 (330/670) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.204 ( -8.826 -0.537 -0.812) 8.879 6.134 ( -17.441 12.308 -8.026) 22.805 6.923 ( 3.668 -2.793 -7.465) 8.774 7.467 ( 7.863 -5.619 11.065) 14.691 8.570 ( -38.988 20.140 -0.770) 43.890 10.301 ( -4.824 10.762 1.243) 11.859 10.531 ( -9.674 -0.927 -0.957) 9.765 11.101 ( -7.333 -10.395 -2.093) 12.892 12.382 ( -15.925 16.358 -0.465) 22.834 12.932 ( 2.965 -7.702 -4.762) 9.529 13.254 ( 14.314 -7.144 7.169) 17.530 16.315 ( 24.557 -5.642 0.122) 25.196 ======================= Grid point 858 (331/670) ======================= q-point: (-0.16 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( -13.683 -0.017 1.509) 13.766 5.873 ( -21.848 7.074 -5.242) 23.556 6.875 ( -3.148 -3.573 -5.278) 7.109 7.613 ( 10.300 -2.343 3.220) 11.043 8.019 ( -42.999 9.444 0.332) 44.025 10.291 ( -10.260 8.748 5.252) 14.469 10.334 ( -12.625 -1.619 -1.118) 12.778 10.847 ( -8.863 -8.502 -2.669) 12.568 12.175 ( -20.310 6.026 -1.346) 21.228 12.959 ( 7.374 -1.056 -7.908) 10.864 13.493 ( 16.537 -2.058 9.114) 18.994 16.722 ( 28.731 -3.801 -1.684) 29.030 ======================= Grid point 859 (332/670) ======================= q-point: (-0.11 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( -18.840 2.008 4.109) 19.387 5.521 ( -24.000 2.573 -2.999) 24.323 6.713 ( -11.371 -2.262 -4.941) 12.602 7.357 ( -41.854 2.214 2.782) 42.005 7.757 ( 8.171 -0.672 -3.425) 8.886 9.979 ( -24.998 -6.062 -0.475) 25.727 10.158 ( -15.674 3.375 5.428) 16.927 10.733 ( -0.048 3.574 -0.831) 3.670 11.868 ( -18.099 0.223 -1.482) 18.161 13.081 ( 9.782 1.932 -10.817) 14.711 13.818 ( 19.426 -0.525 11.989) 22.834 17.157 ( 28.248 -3.752 -5.272) 28.979 ======================= Grid point 868 (333/670) ======================= q-point: ( 0.37 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( 0.000 20.731 12.932) 24.434 4.355 ( 0.000 24.853 8.793) 26.363 5.449 ( -0.000 18.848 -7.485) 20.280 6.330 ( -0.000 18.480 1.277) 18.524 7.318 ( -0.000 17.105 -12.791) 21.359 8.835 ( -0.000 42.752 3.646) 42.907 9.483 ( -0.000 14.320 1.737) 14.425 11.030 ( 0.000 -8.559 -0.405) 8.569 11.269 ( -0.000 -2.017 -0.929) 2.221 12.897 ( -0.000 -2.069 -11.452) 11.638 15.063 ( 0.000 -26.660 15.214) 30.695 17.971 ( -0.000 -8.494 -18.393) 20.260 ======================= Grid point 869 (334/670) ======================= q-point: ( 0.42 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( 2.341 17.615 9.287) 20.050 4.661 ( 8.351 17.083 5.824) 19.887 5.737 ( 12.437 24.513 -5.778) 28.089 6.501 ( 2.444 12.394 -1.208) 12.691 7.444 ( 1.546 13.745 -9.442) 16.747 9.280 ( 4.876 37.559 2.028) 37.929 9.685 ( 6.232 15.195 2.262) 16.579 10.934 ( -4.010 -4.685 1.745) 6.409 11.294 ( 4.971 0.075 -1.091) 5.090 12.846 ( -1.051 -0.336 -8.884) 8.952 14.832 ( -2.133 -26.988 13.183) 30.111 17.751 ( -8.376 -10.653 -16.130) 21.067 ======================= Grid point 870 (335/670) ======================= q-point: ( 0.47 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.693 ( 4.628 13.745 5.525) 15.520 4.982 ( 11.877 11.377 2.746) 16.675 6.257 ( 17.823 27.352 -3.935) 32.883 6.663 ( 8.594 7.796 -3.098) 12.010 7.577 ( 1.913 13.140 -5.242) 14.276 9.707 ( 9.176 24.717 0.144) 26.366 9.988 ( 10.552 15.707 3.316) 19.211 10.825 ( -6.712 -0.268 2.304) 7.102 11.437 ( 9.669 4.907 -0.990) 10.888 12.793 ( -3.472 2.402 -6.758) 7.969 14.559 ( -4.367 -26.342 10.843) 28.819 17.394 ( -14.612 -12.755 -13.105) 23.408 ======================= Grid point 871 (336/670) ======================= q-point: ( 0.53 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( 6.230 9.766 2.201) 11.791 5.300 ( 13.400 9.924 0.308) 16.678 6.594 ( 3.266 8.486 -0.841) 9.132 7.081 ( 22.346 21.746 -7.827) 32.148 7.753 ( 6.411 14.335 0.941) 15.732 10.052 ( 11.669 10.719 -1.393) 15.906 10.342 ( 12.046 14.392 5.673) 19.606 10.728 ( -7.531 4.349 0.789) 8.732 11.698 ( 12.973 10.203 -1.702) 16.592 12.733 ( -5.760 5.073 -4.697) 8.999 14.249 ( -7.000 -24.532 8.064) 26.755 16.953 ( -17.369 -14.607 -9.358) 24.548 ======================= Grid point 872 (337/670) ======================= q-point: ( 0.58 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.099 ( 6.503 6.231 -0.326) 9.012 5.622 ( 13.423 10.667 -1.916) 17.252 6.674 ( 2.146 1.540 0.432) 2.676 7.467 ( 3.703 14.267 -7.315) 16.455 8.191 ( 22.100 24.656 3.821) 33.330 10.288 ( 9.506 1.903 -1.880) 9.875 10.641 ( 1.452 3.631 4.250) 5.776 10.724 ( 5.605 15.195 2.154) 16.338 12.035 ( 13.455 14.110 -3.108) 19.743 12.665 ( -6.496 4.326 -3.044) 8.377 13.908 ( -9.707 -21.421 5.379) 24.126 16.497 ( -16.058 -15.748 -5.395) 23.130 ======================= Grid point 873 (338/670) ======================= q-point: ( 0.63 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.243 ( 5.399 3.612 -1.937) 6.778 5.934 ( 11.829 12.034 -4.125) 17.371 6.719 ( 2.365 -0.189 1.340) 2.725 7.527 ( -4.015 5.299 -1.550) 6.827 8.841 ( 19.384 30.798 1.326) 36.414 10.372 ( -0.731 1.472 -1.124) 1.991 10.687 ( 3.306 3.866 -3.388) 6.111 11.043 ( 11.038 11.686 8.346) 18.112 12.363 ( 8.772 13.846 -3.013) 16.665 12.579 ( -3.264 -1.395 -3.300) 4.846 13.562 ( -10.753 -16.501 3.840) 20.066 16.102 ( -11.017 -15.502 -2.168) 19.142 ======================= Grid point 874 (339/670) ======================= q-point: ( 0.68 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.333 ( 2.957 2.000 -2.487) 4.351 6.214 ( 8.629 13.494 -6.442) 17.265 6.763 ( 2.433 0.238 1.066) 2.667 7.458 ( -5.601 -2.509 3.466) 7.048 9.376 ( 6.428 32.457 -0.258) 33.089 10.320 ( -5.593 1.682 -1.264) 5.976 10.775 ( 3.253 3.076 -3.017) 5.399 11.330 ( 3.931 13.117 6.044) 14.968 12.414 ( 6.353 -18.749 0.550) 19.804 12.658 ( 1.844 15.052 -4.868) 15.927 13.287 ( -8.207 -8.628 2.970) 12.273 15.836 ( -3.028 -13.390 -0.385) 13.733 ======================= Grid point 875 (340/670) ======================= q-point: (-0.26 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.361 ( -0.687 1.291 -1.852) 2.359 6.429 ( 2.756 15.420 -8.881) 18.006 6.802 ( 1.179 0.765 -1.487) 2.047 7.343 ( -2.177 -9.662 8.780) 13.236 9.607 ( -16.495 28.223 -1.041) 32.706 10.273 ( 1.292 1.476 -1.296) 2.351 10.810 ( -2.637 3.298 -0.194) 4.227 11.373 ( -11.695 6.047 -0.191) 13.167 12.450 ( 22.426 -22.586 2.946) 31.964 12.760 ( -4.028 13.045 -1.552) 13.740 13.134 ( -5.851 -2.339 0.716) 6.341 15.758 ( 7.311 -9.345 0.120) 11.865 ======================= Grid point 876 (341/670) ======================= q-point: (-0.21 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.323 ( -4.974 1.352 -0.237) 5.160 6.493 ( -11.673 15.436 -9.319) 21.480 6.810 ( 3.286 -2.304 -4.896) 6.331 7.306 ( 6.255 -10.280 11.134) 16.394 9.358 ( -34.499 13.552 -0.708) 37.073 10.381 ( 5.146 5.673 -1.175) 7.749 10.735 ( -11.309 3.860 3.260) 12.386 11.149 ( -11.067 -5.746 -3.029) 12.832 12.636 ( 12.505 -10.863 -1.014) 16.596 12.799 ( -5.305 12.203 -0.514) 13.316 13.046 ( 2.433 -4.902 2.967) 6.225 15.903 ( 17.783 -4.657 -0.328) 18.386 ======================= Grid point 877 (342/670) ======================= q-point: (-0.16 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.222 ( -9.268 2.102 1.809) 9.674 6.280 ( -21.133 6.057 -5.866) 22.753 6.843 ( 2.473 0.564 -6.583) 7.055 7.408 ( 10.950 -6.193 6.551) 14.183 8.784 ( -41.115 1.226 0.431) 41.135 10.432 ( -4.120 -5.611 -1.476) 7.116 10.579 ( -11.628 8.561 6.441) 15.812 10.938 ( -8.292 -0.691 -3.461) 9.012 12.510 ( -15.024 -3.568 -2.684) 15.673 12.841 ( 2.870 4.158 -5.946) 7.803 13.223 ( 16.581 -2.088 8.369) 18.690 16.234 ( 24.772 -1.658 -1.931) 24.903 ======================= Grid point 878 (343/670) ======================= q-point: (-0.11 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.070 ( -13.292 3.635 3.792) 14.292 5.919 ( -23.155 0.537 -3.399) 23.409 6.826 ( -4.398 2.493 -6.252) 8.040 7.564 ( 11.337 -3.580 -0.165) 11.890 8.056 ( -42.044 -6.522 2.355) 42.612 10.179 ( -12.428 -10.475 -0.682) 16.268 10.468 ( -13.931 2.218 5.710) 15.218 10.871 ( -5.558 12.124 -1.552) 13.427 12.167 ( -19.266 -3.923 -1.257) 19.702 12.927 ( 6.494 2.219 -8.686) 11.070 13.533 ( 18.122 -0.795 9.816) 20.625 16.650 ( 26.854 -1.031 -4.847) 27.307 ======================= Grid point 888 (344/670) ======================= q-point: ( 0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.624 ( 0.000 14.861 6.193) 16.100 4.752 ( 0.000 12.522 4.261) 13.227 5.844 ( -0.000 24.777 -3.813) 25.069 6.572 ( -0.000 7.786 -3.767) 8.649 7.546 ( -0.000 14.701 -5.755) 15.788 9.553 ( -0.000 26.186 -0.876) 26.201 9.784 ( 0.000 15.129 2.397) 15.318 10.977 ( 0.000 2.466 5.261) 5.810 11.232 ( -0.000 -1.028 -1.563) 1.870 12.859 ( -0.000 5.699 -5.960) 8.246 14.629 ( 0.000 -26.209 9.978) 28.044 17.659 ( -0.000 -12.847 -14.271) 19.202 ======================= Grid point 889 (345/670) ======================= q-point: ( 0.47 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 1.591 11.412 3.664) 12.091 4.924 ( 7.029 8.600 2.442) 11.372 6.206 ( 15.022 25.227 -2.553) 29.472 6.627 ( 1.869 3.837 -4.188) 5.979 7.678 ( 0.485 14.290 -3.098) 14.630 9.773 ( 4.137 13.565 -2.689) 14.435 9.996 ( 6.806 14.885 2.860) 16.615 10.974 ( -6.337 4.727 4.616) 9.155 11.309 ( 8.871 1.909 0.081) 9.074 12.905 ( -3.183 11.748 -3.319) 12.616 14.395 ( -2.116 -24.150 6.863) 25.195 17.414 ( -8.034 -14.713 -11.873) 20.542 ======================= Grid point 890 (346/670) ======================= q-point: ( 0.53 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.925 ( 3.423 8.159 1.648) 9.000 5.165 ( 12.016 6.871 1.444) 13.917 6.613 ( 2.903 6.592 -1.596) 7.378 6.853 ( 24.946 19.625 -4.519) 32.060 7.814 ( 1.666 12.079 -0.453) 12.202 9.943 ( 7.339 4.257 -3.215) 9.072 10.300 ( 10.931 13.528 4.432) 17.948 10.915 ( -7.074 5.585 1.410) 9.122 11.536 ( 13.936 4.358 1.095) 14.642 12.943 ( -7.493 15.215 -1.146) 16.998 14.139 ( -4.617 -20.973 3.859) 21.819 17.045 ( -13.954 -15.690 -8.923) 22.814 ======================= Grid point 891 (347/670) ======================= q-point: ( 0.58 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.062 ( 4.682 5.457 0.448) 7.204 5.461 ( 14.920 6.755 0.540) 16.386 6.660 ( 1.232 1.091 -0.298) 1.673 7.457 ( 17.243 20.219 -7.024) 27.486 8.033 ( 15.605 11.649 3.860) 19.852 10.087 ( 9.499 -1.360 -2.977) 10.047 10.610 ( 9.829 7.655 7.342) 14.461 10.879 ( -4.771 10.015 -1.952) 11.263 11.859 ( 18.207 6.382 -0.148) 19.294 12.923 ( -12.043 14.131 0.037) 18.566 13.860 ( -7.459 -17.767 1.444) 19.323 16.611 ( -16.616 -15.152 -5.676) 23.192 ======================= Grid point 892 (348/670) ======================= q-point: ( 0.63 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.186 ( 4.898 3.437 -0.250) 5.989 5.788 ( 15.661 7.435 -0.351) 17.339 6.689 ( 1.562 0.060 1.167) 1.951 7.653 ( -3.513 8.731 -4.573) 10.464 8.646 ( 32.682 18.865 2.511) 37.819 10.213 ( 9.751 -4.635 -2.013) 10.983 10.756 ( 0.866 4.354 0.908) 4.531 11.002 ( 5.923 10.467 4.413) 12.811 12.252 ( 19.112 9.796 -2.201) 21.589 12.795 ( -17.191 8.904 -0.528) 19.367 13.561 ( -8.781 -15.884 0.838) 18.169 16.187 ( -15.630 -12.794 -2.752) 20.385 ======================= Grid point 893 (349/670) ======================= q-point: ( 0.68 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 4.101 2.201 -0.627) 4.696 6.115 ( 14.258 8.487 -1.285) 16.643 6.725 ( 2.338 -0.345 2.048) 3.127 7.580 ( -8.738 1.258 -1.903) 9.031 9.355 ( 26.489 20.624 0.679) 33.578 10.290 ( 5.264 -6.082 -0.260) 8.048 10.818 ( -0.203 9.117 -4.721) 10.269 11.251 ( 14.264 2.946 9.059) 17.152 12.481 ( -22.452 0.274 -1.897) 22.534 12.647 ( 12.951 10.902 -4.231) 17.450 13.300 ( -5.608 -12.484 2.384) 13.892 15.846 ( -11.209 -9.288 -0.843) 14.582 ======================= Grid point 894 (350/670) ======================= q-point: ( 0.74 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.358 ( 2.219 1.771 -0.546) 2.891 6.408 ( 10.866 9.580 -2.777) 14.750 6.778 ( 3.407 0.133 2.036) 3.971 7.393 ( -10.533 -5.239 0.362) 11.770 9.884 ( 12.597 19.461 -0.382) 23.185 10.250 ( -2.499 -7.380 0.309) 7.797 10.872 ( -1.271 6.277 -2.186) 6.767 11.617 ( 16.865 10.275 5.590) 20.524 12.008 ( -18.126 -17.991 -2.537) 25.664 12.882 ( 2.374 9.736 -2.896) 10.431 13.167 ( -0.974 -5.945 2.086) 6.375 15.649 ( -3.108 -5.179 -0.065) 6.040 ======================= Grid point 895 (351/670) ======================= q-point: (-0.21 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.389 ( -0.828 1.985 0.217) 2.161 6.634 ( 6.745 9.341 -5.491) 12.763 6.830 ( -2.853 4.374 -1.204) 5.359 7.170 ( -3.591 -12.874 5.512) 14.457 9.926 ( -23.462 2.001 -0.548) 23.554 10.261 ( 11.406 -0.207 -0.436) 11.417 10.888 ( -2.056 2.780 2.785) 4.440 11.431 ( -25.900 -2.873 -2.625) 26.190 12.151 ( 29.133 -2.141 -0.112) 29.212 12.928 ( -0.726 1.860 2.084) 2.886 13.098 ( -5.958 -0.674 -1.203) 6.116 15.659 ( 7.678 -0.308 -0.175) 7.686 ======================= Grid point 896 (352/670) ======================= q-point: (-0.16 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.368 ( -4.610 2.454 1.506) 5.435 6.645 ( -19.050 0.951 -3.771) 19.442 6.784 ( 4.469 7.327 -8.072) 11.781 7.172 ( 11.303 -9.530 8.506) 17.057 9.377 ( -34.352 -11.622 0.196) 36.265 10.373 ( 3.130 -5.300 -0.922) 6.224 10.850 ( -8.971 2.841 7.765) 12.200 11.086 ( -10.572 2.026 -5.407) 12.046 12.505 ( 8.592 2.287 -3.990) 9.746 12.916 ( -2.709 -6.538 -2.905) 7.651 13.021 ( 3.773 4.532 6.122) 8.500 15.883 ( 16.712 3.319 -1.156) 17.078 ======================= Grid point 897 (353/670) ======================= q-point: (-0.11 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.292 ( -8.207 2.872 2.740) 9.117 6.280 ( -21.784 -1.790 -2.308) 21.979 6.871 ( 1.098 6.079 -9.037) 10.947 7.324 ( 12.154 -5.808 4.792) 14.298 8.617 ( -37.818 -18.492 1.567) 42.126 10.243 ( -7.681 -9.665 -1.253) 12.409 10.718 ( -11.888 1.185 7.533) 14.124 11.045 ( -2.136 9.483 -4.800) 10.841 12.402 ( -13.708 -4.365 1.386) 14.453 12.861 ( 1.255 1.519 -7.335) 7.595 13.271 ( 16.016 1.534 6.164) 17.229 16.240 ( 21.537 3.978 -3.074) 22.116 ======================= Grid point 908 (354/670) ======================= q-point: ( 0.47 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.875 ( 0.000 8.519 2.740) 8.949 4.940 ( 0.000 6.215 1.353) 6.360 6.292 ( -0.000 22.029 -1.461) 22.077 6.628 ( -0.000 1.944 -3.711) 4.189 7.803 ( -0.000 13.478 -2.004) 13.627 9.824 ( -0.000 6.793 -3.656) 7.714 10.083 ( 0.000 13.779 2.436) 13.993 11.124 ( 0.000 4.934 7.842) 9.265 11.208 ( -0.000 -0.458 -1.778) 1.837 13.075 ( -0.000 17.403 -0.071) 17.403 14.219 ( 0.000 -18.867 2.690) 19.058 17.295 ( -0.000 -16.394 -10.074) 19.242 ======================= Grid point 909 (355/670) ======================= q-point: ( 0.53 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( 1.203 5.975 1.775) 6.348 5.061 ( 7.339 4.760 1.678) 8.907 6.611 ( 7.495 11.254 -0.814) 13.546 6.662 ( 10.690 8.910 -2.900) 14.215 7.914 ( -0.247 10.728 -1.362) 10.817 9.885 ( 2.808 3.319 -3.489) 5.574 10.279 ( 7.141 11.949 2.695) 14.178 11.070 ( -6.431 2.372 2.015) 7.145 11.351 ( 11.263 0.359 3.341) 11.753 13.205 ( -4.237 14.638 2.469) 15.438 14.055 ( -3.487 -9.635 -1.378) 10.339 17.041 ( -7.343 -16.765 -7.707) 19.859 ======================= Grid point 910 (356/670) ======================= q-point: ( 0.58 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.049 ( 2.899 4.208 1.612) 5.358 5.280 ( 12.854 4.080 2.102) 13.648 6.651 ( 0.857 0.821 -0.150) 1.196 7.211 ( 28.923 17.209 -3.348) 33.822 7.995 ( 1.155 6.042 0.082) 6.152 9.960 ( 4.748 1.360 -2.715) 5.636 10.534 ( 9.514 6.724 4.269) 12.408 11.021 ( -3.668 6.079 -1.047) 7.176 11.591 ( 16.719 -0.376 3.532) 17.092 13.220 ( -7.160 6.441 3.514) 10.252 13.893 ( -9.741 -0.538 -4.331) 10.674 16.697 ( -12.531 -14.765 -4.954) 19.989 ======================= Grid point 911 (357/670) ======================= q-point: ( 0.63 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.145 ( 3.841 2.785 1.723) 5.047 5.573 ( 16.355 3.958 2.331) 16.988 6.675 ( 1.001 0.516 1.223) 1.662 7.735 ( 7.692 12.962 -7.184) 16.697 8.212 ( 27.883 3.707 3.787) 28.382 10.051 ( 6.048 0.049 -1.435) 6.216 10.703 ( 5.992 -1.011 3.705) 7.117 11.075 ( 0.259 10.059 -0.451) 10.072 11.939 ( 23.198 1.560 1.497) 23.298 13.127 ( -9.901 2.206 3.025) 10.585 13.660 ( -16.484 0.098 -5.296) 17.314 16.330 ( -14.987 -10.041 -2.366) 18.195 ======================= Grid point 912 (358/670) ======================= q-point: ( 0.68 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.239 ( 4.084 1.644 1.442) 4.632 5.906 ( 17.594 4.064 2.735) 18.263 6.701 ( 1.104 0.163 2.150) 2.422 7.737 ( -8.196 3.183 -5.249) 10.241 8.908 ( 40.973 6.115 1.507) 41.454 10.148 ( 5.934 -0.707 0.285) 5.983 10.794 ( 6.795 -0.257 -1.730) 7.017 11.167 ( 1.429 3.212 4.644) 5.825 12.381 ( 24.774 4.640 -1.098) 25.229 12.929 ( -19.827 3.222 1.180) 20.122 13.340 ( -14.338 -5.467 -3.303) 15.696 16.003 ( -14.955 -4.198 -0.658) 15.547 ======================= Grid point 913 (359/670) ======================= q-point: (-0.26 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.321 ( 3.801 0.994 0.844) 4.019 6.245 ( 16.573 4.276 3.379) 17.446 6.730 ( 1.857 -0.769 2.573) 3.265 7.554 ( -12.171 -1.287 -4.869) 13.171 9.579 ( 32.773 -0.296 0.738) 32.783 10.226 ( 2.237 1.228 1.433) 2.927 10.914 ( 4.926 3.935 -6.752) 9.238 11.244 ( 11.657 -9.193 7.598) 16.677 12.505 ( -32.132 3.632 -0.395) 32.339 12.797 ( 18.017 5.903 -3.204) 19.229 13.126 ( -4.907 -5.999 0.973) 7.811 15.759 ( -11.793 0.991 0.066) 11.835 ======================= Grid point 914 (360/670) ======================= q-point: (-0.21 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.388 ( 2.704 0.908 0.402) 2.881 6.547 ( 12.125 4.834 3.449) 13.501 6.775 ( 5.516 -3.213 3.304) 7.188 7.287 ( -15.128 -2.850 -5.530) 16.357 9.912 ( 14.340 -19.069 0.841) 23.874 10.251 ( -4.339 9.158 0.503) 10.146 10.938 ( -1.516 1.737 -1.388) 2.691 11.404 ( 15.034 -22.770 -1.013) 27.304 12.128 ( -16.390 19.594 2.295) 25.648 12.980 ( -4.388 1.846 -2.147) 5.222 13.068 ( 6.971 -5.000 0.998) 8.637 15.655 ( -3.883 5.935 0.230) 7.096 ======================= Grid point 915 (361/670) ======================= q-point: (-0.16 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.425 ( 0.268 0.966 0.509) 1.124 6.720 ( 2.919 3.110 1.207) 4.433 6.898 ( 10.997 -13.632 7.947) 19.233 6.987 ( -14.499 7.537 -9.052) 18.680 9.634 ( -16.586 -28.774 0.160) 33.212 10.292 ( 0.957 1.141 0.028) 1.489 10.957 ( 0.516 3.038 2.926) 4.249 11.210 ( -7.623 -13.517 -3.219) 15.849 12.396 ( 13.468 21.018 -0.087) 24.963 12.849 ( -5.243 -9.434 0.834) 10.825 13.086 ( -1.380 -0.667 -0.533) 1.623 15.752 ( 5.938 9.717 -0.058) 11.388 ======================= Grid point 916 (362/670) ======================= q-point: (-0.11 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.411 ( -3.205 0.420 1.012) 3.387 6.588 ( -17.788 -3.955 1.549) 18.288 6.828 ( 5.023 0.389 -9.851) 11.065 7.122 ( 9.113 0.974 5.988) 10.948 8.940 ( -28.494 -31.762 0.601) 42.674 10.254 ( -3.213 -5.337 -0.728) 6.272 10.930 ( -10.023 -1.868 8.257) 13.120 11.071 ( 2.679 1.700 -7.460) 8.107 12.573 ( -10.819 -4.576 4.453) 12.563 12.799 ( 7.501 3.687 -6.387) 10.519 13.115 ( 6.822 4.349 2.218) 8.389 16.011 ( 12.736 10.097 -0.966) 16.282 ======================= Grid point 928 (363/670) ======================= q-point: ( 0.53 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( 0.000 4.175 4.079) 5.837 5.035 ( 0.000 3.241 0.560) 3.290 6.636 ( -0.000 0.858 -0.772) 1.154 6.639 ( -0.000 14.246 -1.108) 14.289 8.006 ( -0.000 8.354 -2.037) 8.599 9.884 ( -0.000 3.251 -3.014) 4.433 10.327 ( 0.000 9.658 1.499) 9.773 11.192 ( -0.000 -0.093 -1.087) 1.091 11.211 ( 0.000 -0.836 7.978) 8.022 13.327 ( 0.000 0.860 3.974) 4.066 14.076 ( -0.000 8.869 -5.243) 10.303 16.919 ( -0.000 -16.203 -5.784) 17.205 ======================= Grid point 929 (364/670) ======================= q-point: ( 0.58 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.057 ( 1.054 2.854 3.085) 4.333 5.144 ( 7.824 2.389 3.389) 8.854 6.649 ( 0.460 1.057 0.793) 1.399 6.914 ( 19.052 10.323 -1.583) 21.727 8.053 ( -1.226 4.763 -2.404) 5.474 9.922 ( 1.826 2.931 -1.989) 3.985 10.465 ( 6.213 5.373 1.331) 8.322 11.122 ( -3.491 3.013 0.731) 4.669 11.350 ( 11.014 -3.422 5.694) 12.863 13.285 ( -1.713 -6.373 2.375) 7.014 14.124 ( -8.066 15.100 -6.213) 18.211 16.708 ( -6.326 -12.361 -3.354) 14.285 ======================= Grid point 930 (365/670) ======================= q-point: ( 0.63 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.122 ( 2.580 1.720 3.444) 4.634 5.356 ( 13.530 1.648 4.438) 14.334 6.675 ( 0.615 1.333 2.120) 2.578 7.437 ( 32.321 7.948 -3.032) 33.421 8.042 ( -1.340 -0.335 -1.736) 2.218 9.987 ( 3.310 2.365 -0.531) 4.102 10.598 ( 5.869 -1.529 1.647) 6.284 11.153 ( 0.301 7.294 -0.324) 7.307 11.572 ( 18.966 -4.014 4.824) 19.978 13.193 ( -2.650 -5.503 0.814) 6.162 14.012 ( -17.473 9.166 -6.431) 20.753 16.468 ( -11.015 -5.114 -1.059) 12.190 ======================= Grid point 931 (366/670) ======================= q-point: (-0.32 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.193 ( 3.379 0.227 3.019) 4.537 5.646 ( 17.409 0.952 5.347) 18.237 6.706 ( 0.306 1.440 3.161) 3.487 7.856 ( -2.128 4.768 -8.165) 9.691 8.218 ( 38.688 -5.098 2.595) 39.109 10.075 ( 4.648 2.162 1.106) 5.244 10.657 ( 5.459 -4.257 -0.309) 6.930 11.211 ( -0.678 2.445 2.361) 3.466 11.952 ( 27.012 -0.637 1.616) 27.068 13.097 ( -4.708 -3.016 0.511) 5.614 13.687 ( -24.150 2.028 -6.008) 24.968 16.242 ( -14.409 2.464 0.318) 14.622 ======================= Grid point 932 (367/670) ======================= q-point: (-0.26 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.258 ( 4.110 -1.128 1.732) 4.600 5.977 ( 19.095 -0.138 6.645) 20.218 6.729 ( -0.342 0.958 3.609) 3.750 7.716 ( -10.176 -0.856 -6.817) 12.278 8.882 ( 42.504 -9.477 0.451) 43.550 10.196 ( 5.639 4.199 2.262) 7.386 10.726 ( 9.354 -4.732 -3.849) 11.168 11.178 ( -3.120 -5.069 4.445) 7.429 12.418 ( 27.169 -0.401 0.036) 27.172 12.925 ( -15.139 -3.759 1.698) 15.691 13.302 ( -18.525 3.607 -5.189) 19.574 16.038 ( -15.834 7.806 0.816) 17.672 ======================= Grid point 933 (368/670) ======================= q-point: (-0.21 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.321 ( 4.743 -1.841 0.221) 5.093 6.310 ( 18.795 -2.592 8.645) 20.849 6.734 ( -0.821 -0.103 2.900) 3.016 7.489 ( -12.776 -0.608 -7.255) 14.705 9.346 ( 28.864 -22.167 0.381) 36.396 10.347 ( 2.969 7.500 2.101) 8.335 10.853 ( 13.265 -5.814 -8.437) 16.762 11.058 ( -1.472 -12.063 5.899) 13.508 12.581 ( -19.215 1.349 3.412) 19.562 12.795 ( 18.356 -4.855 1.387) 19.038 13.127 ( -9.671 7.776 -5.194) 13.453 15.889 ( -12.874 11.924 1.052) 17.580 ======================= Grid point 934 (369/670) ======================= q-point: (-0.16 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.380 ( 4.394 -2.035 -0.840) 4.915 6.576 ( 15.156 -12.193 9.720) 21.745 6.736 ( 0.389 3.323 2.170) 3.988 7.252 ( -13.631 3.972 -7.871) 16.234 9.379 ( 7.302 -34.929 -0.083) 35.685 10.364 ( -5.777 -0.132 0.977) 5.860 10.923 ( 4.842 -3.115 -5.846) 8.205 11.039 ( 8.345 -11.073 2.923) 14.170 12.469 ( -0.701 9.702 3.228) 10.249 12.878 ( -1.607 -9.096 4.712) 10.369 13.085 ( -2.205 7.962 -6.757) 10.673 15.871 ( -5.165 15.412 1.221) 16.300 ======================= Grid point 948 (370/670) ======================= q-point: ( 0.58 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.080 ( 0.000 1.078 0.643) 1.255 5.110 ( 0.000 1.853 8.551) 8.750 6.664 ( 0.000 1.749 2.321) 2.907 6.816 ( -0.000 4.922 -1.512) 5.149 8.091 ( -0.000 2.448 -3.689) 4.428 9.932 ( -0.000 2.894 -0.975) 3.054 10.452 ( -0.000 2.444 -0.497) 2.494 11.197 ( 0.000 0.891 0.665) 1.112 11.219 ( 0.000 -3.148 7.616) 8.241 13.233 ( 0.000 -6.362 -0.321) 6.370 14.315 ( -0.000 11.753 -6.518) 13.440 16.662 ( -0.000 -5.878 -1.214) 6.002 ======================= Grid point 949 (371/670) ======================= q-point: (-0.37 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( 1.874 0.222 2.529) 3.156 5.207 ( 6.957 0.175 8.366) 10.882 6.696 ( 0.175 2.505 3.851) 4.598 7.009 ( 20.231 0.569 -1.640) 20.305 8.070 ( -2.179 -0.495 -4.490) 5.015 9.968 ( 1.626 1.902 0.155) 2.507 10.493 ( 4.326 -2.337 -0.896) 4.998 11.204 ( 0.409 4.187 1.025) 4.330 11.301 ( 9.574 -5.290 6.755) 12.856 13.176 ( -0.968 -2.685 -2.019) 3.496 14.279 ( -9.502 1.427 -6.643) 11.682 16.599 ( -5.885 3.478 0.603) 6.862 ======================= Grid point 950 (372/670) ======================= q-point: (-0.32 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.148 ( 2.434 -1.798 3.169) 4.381 5.400 ( 13.575 -1.390 7.691) 15.664 6.739 ( -0.126 2.980 5.360) 6.134 7.463 ( 35.341 -3.798 -1.892) 35.595 7.980 ( -4.469 -3.294 -4.886) 7.396 10.026 ( 3.658 0.866 1.123) 3.923 10.528 ( 4.648 -5.351 -1.188) 7.187 11.234 ( -0.208 -1.382 3.176) 3.470 11.541 ( 20.643 -0.518 3.327) 20.916 13.132 ( -2.359 -0.019 -2.412) 3.374 14.005 ( -17.018 -5.503 -5.963) 18.854 16.529 ( -11.618 10.999 1.427) 16.062 ======================= Grid point 951 (373/670) ======================= q-point: (-0.26 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.175 ( 3.446 -4.172 1.837) 5.714 5.670 ( 17.925 -3.284 7.801) 19.823 6.776 ( -1.156 2.562 6.312) 6.909 7.825 ( -7.223 -2.077 -7.291) 10.471 8.054 ( 42.138 -12.831 0.100) 44.048 10.124 ( 6.766 1.392 1.521) 7.073 10.547 ( 5.250 -6.209 -2.495) 8.506 11.184 ( -2.497 -7.168 4.275) 8.712 11.953 ( 26.470 -0.453 1.570) 26.520 13.052 ( -6.483 -2.511 -0.806) 6.999 13.634 ( -18.551 -1.230 -5.500) 19.388 16.425 ( -16.306 14.928 1.636) 22.168 ======================= Grid point 952 (374/670) ======================= q-point: (-0.21 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( 5.177 -5.664 -0.189) 7.675 5.967 ( 19.482 -6.615 8.362) 22.209 6.786 ( -2.286 1.291 6.063) 6.607 7.644 ( -9.238 -1.072 -6.421) 11.301 8.566 ( 37.076 -22.547 -0.594) 43.397 10.302 ( 10.243 4.436 1.329) 11.241 10.568 ( 7.226 -8.595 -4.648) 12.153 11.039 ( -4.986 -11.590 3.843) 13.190 12.360 ( 23.208 -6.933 1.913) 24.297 12.849 ( -11.742 -3.999 3.291) 12.833 13.398 ( -12.767 10.209 -7.011) 17.787 16.297 ( -17.636 17.236 1.948) 24.737 ======================= Grid point 953 (375/670) ======================= q-point: (-0.16 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.241 ( 6.774 -5.963 -1.931) 9.229 6.212 ( 16.722 -13.427 7.846) 22.836 6.783 ( -0.834 1.905 5.456) 5.839 7.468 ( -10.574 3.435 -5.501) 12.404 8.790 ( 21.691 -34.235 -0.787) 40.536 10.419 ( -2.533 -5.441 1.190) 6.118 10.649 ( 14.455 -5.892 -7.740) 17.423 10.900 ( 2.473 -7.287 4.278) 8.805 12.481 ( 3.576 -14.105 3.137) 14.885 12.783 ( 2.689 2.710 6.018) 7.126 13.306 ( -10.291 14.099 -8.549) 19.436 16.211 ( -13.853 19.538 2.610) 24.092 ======================= Grid point 968 (376/670) ======================= q-point: (-0.37 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.084 ( 0.000 -1.229 0.822) 1.479 5.184 ( 0.000 -1.748 11.685) 11.815 6.742 ( 0.000 3.663 6.168) 7.174 6.809 ( -0.000 -4.421 -1.808) 4.777 8.058 ( -0.000 -2.496 -5.556) 6.091 9.966 ( 0.000 0.279 0.488) 0.562 10.413 ( -0.000 -5.246 -2.072) 5.640 11.204 ( 0.000 -3.069 7.021) 7.662 11.231 ( 0.000 1.391 2.032) 2.463 13.168 ( -0.000 1.089 -3.766) 3.921 14.299 ( -0.000 -8.480 -6.459) 10.660 16.733 ( -0.000 12.626 1.678) 12.737 ======================= Grid point 969 (377/670) ======================= q-point: (-0.32 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 2.146 -3.369 1.349) 4.216 5.236 ( 6.104 -4.425 10.536) 12.956 6.798 ( -0.047 3.616 7.901) 8.690 6.919 ( 20.213 -8.535 -1.180) 21.973 7.986 ( -2.335 -4.211 -6.153) 7.813 9.978 ( 2.005 -1.260 0.381) 2.398 10.381 ( 4.328 -7.923 -2.080) 9.265 11.211 ( 0.565 -5.102 5.652) 7.635 11.315 ( 8.981 2.566 2.970) 9.802 13.164 ( -1.323 2.333 -4.124) 4.919 14.106 ( -7.780 -11.685 -5.598) 15.113 16.835 ( -6.824 18.189 1.902) 19.520 ======================= Grid point 970 (378/670) ======================= q-point: (-0.26 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.078 ( 2.046 -7.321 1.370) 7.724 5.383 ( 13.670 -6.211 8.118) 17.069 6.848 ( -1.181 2.386 9.206) 9.584 7.273 ( 34.135 -14.567 -0.474) 37.117 7.869 ( -4.177 -3.850 -6.463) 8.605 10.021 ( 5.221 -1.599 -0.296) 5.468 10.379 ( 5.766 -9.146 -2.073) 11.008 11.155 ( -1.731 -8.536 5.252) 10.171 11.580 ( 18.650 0.920 2.351) 18.820 13.118 ( -4.304 -1.576 -1.961) 4.985 13.838 ( -11.306 -3.700 -5.481) 13.098 16.857 ( -13.538 20.217 1.853) 24.401 ======================= Grid point 971 (379/670) ======================= q-point: (-0.21 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( 4.208 -10.040 -0.509) 10.898 5.603 ( 17.713 -9.040 7.197) 21.149 6.854 ( -2.381 -0.990 8.305) 8.696 7.684 ( 22.824 -17.928 4.048) 29.304 7.769 ( 9.142 -5.386 -9.346) 14.140 10.135 ( 10.367 -0.522 -1.587) 10.501 10.375 ( 5.608 -10.299 -2.404) 11.971 11.013 ( -4.681 -12.922 4.251) 14.385 11.922 ( 21.976 -5.061 2.057) 22.645 12.980 ( -7.797 -3.860 3.403) 9.342 13.663 ( -10.336 9.135 -7.629) 15.763 16.793 ( -18.046 20.851 2.216) 27.664 ======================= Grid point 972 (380/670) ======================= q-point: (-0.16 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.034 ( 7.377 -10.708 -2.508) 13.242 5.816 ( 17.366 -13.946 6.301) 23.147 6.817 ( -1.352 -3.454 6.253) 7.270 7.635 ( -6.484 3.435 -1.048) 7.412 8.030 ( 29.477 -31.379 -2.091) 43.103 10.326 ( 6.473 -9.366 0.507) 11.397 10.348 ( 11.377 -5.519 -6.474) 14.206 10.818 ( -2.636 -11.680 3.274) 12.414 12.158 ( 15.148 -14.706 2.219) 21.228 12.881 ( -4.718 3.996 7.883) 10.018 13.587 ( -9.961 14.574 -9.883) 20.231 16.697 ( -18.249 21.758 3.360) 28.596 ======================= Grid point 988 (381/670) ======================= q-point: (-0.32 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.036 ( 0.000 -4.409 0.634) 4.454 5.160 ( 0.000 -9.029 10.596) 13.921 6.630 ( 0.000 -12.753 -1.479) 12.838 6.873 ( 0.000 3.309 10.248) 10.769 7.937 ( -0.000 -5.466 -5.943) 8.075 9.941 ( -0.000 -2.747 -0.593) 2.811 10.243 ( -0.000 -10.461 -2.142) 10.678 11.186 ( 0.000 -4.458 7.028) 8.323 11.264 ( 0.000 0.439 1.977) 2.026 13.183 ( -0.000 1.204 -3.964) 4.142 14.039 ( -0.000 -9.566 -5.125) 10.852 17.096 ( -0.000 21.796 1.727) 21.865 ======================= Grid point 989 (382/670) ======================= q-point: (-0.26 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.981 ( -0.091 -9.530 0.953) 9.578 5.150 ( 7.832 -10.664 7.674) 15.295 6.655 ( 19.354 -16.738 -0.341) 25.590 6.919 ( -0.590 -0.251 9.866) 9.887 7.855 ( -1.517 -4.482 -4.477) 6.514 9.925 ( 2.675 -3.862 -1.845) 5.047 10.172 ( 4.985 -12.092 -1.780) 13.199 11.124 ( -2.330 -8.579 5.800) 10.614 11.358 ( 9.673 -0.231 2.193) 9.921 13.149 ( -2.358 -2.703 -0.653) 3.647 13.933 ( -4.690 1.043 -5.943) 7.642 17.252 ( -7.734 22.606 1.437) 23.935 ======================= Grid point 990 (383/670) ======================= q-point: (-0.21 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.871 ( 1.775 -14.763 -0.374) 14.874 5.256 ( 14.283 -11.682 5.653) 19.298 6.852 ( 10.479 -14.585 7.777) 19.571 6.947 ( 18.545 -13.679 -0.088) 23.044 7.787 ( -2.207 -0.648 -1.466) 2.727 9.952 ( 7.240 -5.973 -3.216) 9.922 10.146 ( 6.787 -13.449 -1.736) 15.164 10.982 ( -4.563 -12.179 4.507) 13.764 11.567 ( 15.766 -3.736 1.799) 16.303 13.068 ( -4.561 -1.687 5.166) 7.094 13.876 ( -6.758 11.343 -8.305) 15.598 17.286 ( -14.458 22.267 1.674) 26.602 ======================= Grid point 991 (384/670) ======================= q-point: (-0.16 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.779 ( 6.294 -16.396 -2.533) 17.744 5.410 ( 16.627 -14.998 4.676) 22.875 6.786 ( -0.479 -11.414 5.794) 12.809 7.211 ( 30.840 -27.889 -1.345) 41.602 7.760 ( -3.029 3.628 1.644) 5.004 10.018 ( 12.719 -15.335 -3.320) 20.198 10.124 ( 6.635 -11.637 -2.926) 13.711 10.795 ( -5.411 -8.853 3.226) 10.865 11.779 ( 15.453 -10.055 1.619) 18.507 13.031 ( -4.236 5.140 9.832) 11.876 13.854 ( -8.455 15.856 -10.740) 20.935 17.229 ( -18.022 22.135 2.975) 28.699 ======================= Grid point 1008 (385/670) ======================= q-point: (-0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.907 ( 0.000 -9.686 -0.128) 9.687 4.953 ( 0.000 -18.484 6.878) 19.723 6.317 ( 0.000 -18.392 -0.343) 18.396 6.926 ( 0.000 -6.351 8.115) 10.305 7.820 ( -0.000 -2.874 -0.747) 2.970 9.838 ( -0.000 -8.404 -3.210) 8.996 10.000 ( 0.000 -13.188 -1.247) 13.247 11.080 ( 0.000 -10.573 5.945) 12.130 11.273 ( 0.000 -0.426 1.113) 1.192 13.145 ( 0.000 -2.412 3.182) 3.993 13.996 ( -0.000 9.014 -7.244) 11.565 17.543 ( -0.000 22.844 0.834) 22.859 ======================= Grid point 1009 (386/670) ======================= q-point: (-0.21 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( -2.283 -20.017 0.602) 20.156 4.930 ( 10.879 -15.861 3.223) 19.502 6.284 ( 17.326 -20.939 0.741) 27.188 6.843 ( -0.699 -13.111 3.783) 13.664 7.807 ( -0.347 0.063 3.627) 3.644 9.735 ( 3.998 -17.860 -4.533) 18.855 9.908 ( 4.731 -13.694 -0.897) 14.516 10.967 ( -3.765 -8.095 4.746) 10.111 11.344 ( 8.204 -1.714 1.018) 8.443 13.141 ( -1.781 1.670 8.069) 8.430 14.059 ( -3.377 15.030 -9.030) 17.856 17.694 ( -7.942 22.072 0.672) 23.467 ======================= Grid point 1010 (387/670) ======================= q-point: (-0.16 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 3.338 -22.851 -1.967) 23.177 4.998 ( 15.232 -18.351 2.821) 24.015 6.432 ( 24.149 -25.612 2.802) 35.313 6.700 ( 1.585 -16.638 -1.023) 16.745 7.830 ( -0.415 2.344 6.171) 6.614 9.593 ( 9.471 -31.181 -4.830) 32.944 9.880 ( 7.310 -12.852 -1.286) 14.841 10.856 ( -5.799 -0.168 3.401) 6.725 11.486 ( 11.143 -4.784 1.016) 12.169 13.181 ( -2.319 7.136 11.699) 13.899 14.106 ( -6.429 17.882 -10.843) 21.878 17.719 ( -14.006 21.293 1.641) 25.540 ======================= Grid point 1028 (388/670) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( 0.000 -27.865 2.958) 28.021 4.635 ( 0.000 -18.785 -1.085) 18.816 5.950 ( 0.000 -18.863 1.100) 18.895 6.696 ( 0.000 -19.498 0.442) 19.503 7.830 ( 0.000 0.329 7.646) 7.653 9.440 ( -0.000 -32.520 -5.887) 33.049 9.732 ( 0.000 -13.903 0.050) 13.903 10.979 ( 0.000 0.063 5.032) 5.032 11.269 ( 0.000 -0.178 0.080) 0.195 13.220 ( 0.000 5.540 11.284) 12.571 14.218 ( -0.000 18.075 -9.782) 20.553 17.971 ( -0.000 21.050 -0.168) 21.051 ======================= Grid point 1029 (389/670) ======================= q-point: (-0.16 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( -1.030 -29.637 -0.781) 29.665 4.557 ( 12.980 -24.755 0.531) 27.957 5.895 ( 13.302 -19.238 1.571) 23.441 6.489 ( 0.823 -23.159 -1.841) 23.247 7.863 ( 0.636 -0.177 9.606) 9.629 9.086 ( 4.973 -43.797 -6.657) 44.579 9.643 ( 4.927 -13.539 0.365) 14.412 10.994 ( -4.314 7.607 3.962) 9.601 11.321 ( 5.772 -0.781 0.171) 5.827 13.325 ( -0.771 9.103 13.632) 16.410 14.339 ( -3.636 19.709 -10.536) 22.643 18.103 ( -7.476 19.870 -0.045) 21.230 ======================= Grid point 1048 (390/670) ======================= q-point: (-0.16 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 0.000 -35.525 -0.028) 35.525 4.154 ( 0.000 -30.270 -1.026) 30.287 5.631 ( 0.000 -14.804 1.533) 14.883 6.221 ( 0.000 -28.239 -3.301) 28.431 7.863 ( 0.000 -7.201 12.634) 14.542 8.572 ( -0.000 -46.453 -8.941) 47.305 9.475 ( 0.000 -12.960 1.339) 13.029 11.143 ( 0.000 11.292 4.216) 12.053 11.274 ( -0.000 1.040 -0.729) 1.270 13.475 ( 0.000 11.075 15.191) 18.799 14.532 ( -0.000 20.731 -10.088) 23.055 18.347 ( -0.000 18.327 -1.224) 18.368 ======================= Grid point 1149 (391/670) ======================= q-point: ( 0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -0.000 35.590) 35.590 1.083 ( 0.000 -0.000 35.590) 35.590 2.023 ( 0.000 -0.000 67.307) 67.307 4.880 ( -0.000 0.000 -6.924) 6.924 4.880 ( -0.000 0.000 -6.924) 6.924 8.851 ( -0.000 0.000 -0.369) 0.369 8.851 ( -0.000 0.000 -0.369) 0.369 10.006 ( -0.000 0.000 -22.132) 22.132 11.488 ( 0.000 -0.000 0.319) 0.319 11.488 ( 0.000 -0.000 0.319) 0.319 15.925 ( 0.000 -0.000 6.445) 6.445 18.380 ( -0.000 0.000 -1.089) 1.089 ======================= Grid point 1150 (392/670) ======================= q-point: ( 0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 25.916 14.962 28.095) 41.047 1.745 ( 34.122 19.701 29.531) 49.240 2.534 ( 31.168 17.995 51.986) 63.228 4.872 ( 1.898 1.096 -7.976) 8.271 5.004 ( 12.596 7.272 -7.271) 16.261 8.262 ( -14.323 -8.270 0.550) 16.548 8.904 ( 3.542 2.045 0.184) 4.095 11.430 ( 11.995 6.926 -10.297) 17.259 11.460 ( -2.117 -1.222 0.129) 2.448 12.020 ( 81.285 46.930 -66.560) 115.065 15.968 ( 0.727 0.420 7.415) 7.462 18.410 ( 1.545 0.892 -11.497) 11.635 ======================= Grid point 1151 (393/670) ======================= q-point: ( 0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 32.347 18.676 20.659) 42.684 2.438 ( 21.676 12.515 34.016) 42.232 3.699 ( 55.182 31.859 26.789) 69.121 4.913 ( 4.269 2.465 -8.966) 10.231 5.390 ( 24.450 14.116 -7.995) 29.343 8.081 ( -3.927 -2.267 -5.735) 7.312 9.009 ( 5.744 3.316 0.606) 6.660 11.399 ( -3.249 -1.876 -0.048) 3.752 11.514 ( 1.620 0.935 -1.644) 2.491 13.059 ( 32.537 18.785 -54.301) 66.031 15.960 ( -4.917 -2.839 12.898) 14.092 18.320 ( -4.686 -2.706 -21.826) 22.487 ======================= Grid point 1152 (394/670) ======================= q-point: ( 0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 23.182 13.384 25.500) 36.970 3.100 ( 32.897 18.993 16.176) 41.287 4.936 ( 45.720 26.396 19.152) 56.159 5.005 ( 6.806 3.929 -9.817) 12.575 6.068 ( 39.707 22.925 -9.480) 46.820 8.008 ( -0.753 -0.434 -6.961) 7.015 9.163 ( 7.872 4.545 0.908) 9.135 11.322 ( -3.474 -2.006 -0.238) 4.018 11.497 ( -2.695 -1.556 -2.264) 3.848 13.353 ( 9.763 5.637 -32.595) 34.489 15.829 ( -11.649 -6.726 20.536) 24.550 18.078 ( -9.357 -5.402 -27.209) 29.276 ======================= Grid point 1153 (395/670) ======================= q-point: ( 0.37 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( 25.520 14.734 15.656) 33.369 3.846 ( 29.092 16.796 13.190) 36.089 5.160 ( 10.347 5.974 -10.145) 15.674 5.810 ( 29.463 17.010 13.832) 36.725 7.019 ( 42.806 24.714 -13.437) 51.221 8.044 ( 8.133 4.696 -1.764) 9.555 9.364 ( 9.747 5.627 1.175) 11.316 11.250 ( -2.702 -1.560 -0.489) 3.158 11.393 ( -5.181 -2.991 -2.259) 6.395 13.360 ( -0.500 -0.289 -21.126) 21.134 15.573 ( -18.122 -10.463 25.017) 32.615 17.757 ( -10.753 -6.208 -27.566) 30.233 ======================= Grid point 1154 (396/670) ======================= q-point: ( 0.42 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.252 ( 25.897 14.952 7.299) 30.781 4.440 ( 20.114 11.613 9.454) 25.076 5.421 ( 16.100 9.295 -8.302) 20.360 6.408 ( 21.423 12.369 10.490) 26.870 7.537 ( 9.381 5.416 -20.600) 23.274 8.557 ( 33.770 19.497 5.810) 39.425 9.601 ( 11.002 6.352 1.501) 12.793 11.204 ( -1.212 -0.700 -0.855) 1.640 11.313 ( 0.204 0.118 0.185) 0.300 13.222 ( -5.856 -3.381 -15.896) 17.274 15.176 ( -24.445 -14.113 22.304) 35.975 17.446 ( -9.619 -5.554 -21.669) 24.350 ======================= Grid point 1155 (397/670) ======================= q-point: ( 0.47 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.799 ( 10.777 6.222 4.157) 13.120 4.826 ( 24.317 14.039 0.362) 28.081 5.811 ( 19.620 11.327 -3.817) 22.974 6.833 ( 13.779 7.955 6.005) 17.006 7.561 ( 1.064 0.614 -15.146) 15.195 9.234 ( 22.301 12.876 2.470) 25.869 9.856 ( 11.137 6.430 1.901) 13.000 11.191 ( 0.420 0.242 -1.339) 1.425 11.477 ( 14.310 8.262 2.882) 16.774 13.035 ( -5.703 -3.293 -11.084) 12.893 14.641 ( -28.321 -16.351 14.071) 35.601 17.190 ( -8.580 -4.954 -12.645) 16.064 ======================= Grid point 1156 (398/670) ======================= q-point: ( 0.53 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.986 ( 6.000 3.464 0.794) 6.973 5.328 ( 21.336 12.318 -5.866) 25.325 6.218 ( 16.720 9.653 -0.488) 19.313 7.021 ( 2.383 1.376 -5.029) 5.733 7.564 ( 2.608 1.506 -1.386) 3.316 9.577 ( 10.215 5.898 0.664) 11.814 10.097 ( 9.591 5.538 2.254) 11.302 11.210 ( 1.613 0.931 -1.836) 2.615 11.847 ( 13.851 7.997 -2.351) 16.165 12.983 ( 4.880 2.818 1.180) 5.758 14.046 ( -26.552 -15.330 4.806) 31.034 16.971 ( -8.646 -4.992 -5.606) 11.449 ======================= Grid point 1157 (399/670) ======================= q-point: ( 0.58 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 3.323 1.919 -0.601) 3.884 5.725 ( 16.472 9.510 -12.606) 22.818 6.528 ( 10.712 6.185 1.303) 12.438 6.956 ( -3.875 -2.237 -8.949) 10.005 7.647 ( 2.593 1.497 8.006) 8.548 9.770 ( 7.757 4.479 -0.159) 8.959 10.282 ( 6.057 3.497 2.328) 7.371 11.246 ( 2.076 1.198 -2.104) 3.189 11.960 ( -0.263 -0.152 -11.723) 11.727 13.183 ( -0.652 -0.376 20.042) 20.056 13.626 ( -2.714 -1.567 -5.686) 6.492 16.772 ( -7.646 -4.414 -2.069) 9.068 ======================= Grid point 1158 (400/670) ======================= q-point: ( 0.63 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.134 ( 1.088 0.628 -1.083) 1.659 5.934 ( 5.590 3.228 -19.389) 20.436 6.697 ( 3.808 2.199 2.234) 4.932 6.894 ( 2.189 1.264 -4.314) 5.000 7.698 ( -0.902 -0.521 10.278) 10.331 9.918 ( 4.953 2.860 -0.383) 5.732 10.370 ( 1.038 0.599 1.932) 2.274 11.284 ( 1.746 1.008 -1.909) 2.777 11.851 ( -4.387 -2.533 -15.007) 15.839 12.998 ( -10.683 -6.168 11.724) 17.018 13.853 ( 11.318 6.534 5.714) 14.263 16.653 ( -1.605 -0.927 -0.589) 1.945 ======================= Grid point 1159 (401/670) ======================= q-point: (-0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.129 ( -1.322 -0.763 -1.171) 1.924 5.842 ( -7.129 -4.116 -18.723) 20.453 6.711 ( -3.216 -1.857 2.511) 4.483 7.037 ( 10.369 5.987 -6.347) 13.552 7.678 ( -3.743 -2.161 12.339) 13.074 9.962 ( -1.213 -0.700 0.684) 1.559 10.340 ( -4.108 -2.372 1.188) 4.890 11.306 ( 0.689 0.398 -1.324) 1.544 11.701 ( -4.154 -2.399 -16.767) 17.440 12.917 ( 0.233 0.134 9.191) 9.195 13.981 ( -2.007 -1.159 7.556) 7.903 16.738 ( 9.428 5.443 1.421) 10.979 ======================= Grid point 1160 (402/670) ======================= q-point: (-0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.063 ( -4.421 -2.552 -1.060) 5.213 5.543 ( -14.335 -8.276 -14.093) 21.740 6.572 ( -9.790 -5.652 2.170) 11.511 7.187 ( 2.229 1.287 -9.996) 10.322 7.669 ( 1.331 0.768 12.019) 12.117 9.886 ( -5.305 -3.063 2.766) 6.721 10.203 ( -8.181 -4.723 0.418) 9.456 11.305 ( -0.522 -0.301 -0.649) 0.886 11.535 ( -7.048 -4.069 -16.062) 18.006 13.029 ( 6.313 3.645 6.878) 10.022 13.884 ( -5.672 -3.275 4.622) 8.016 17.057 ( 17.335 10.008 4.189) 20.451 ======================= Grid point 1161 (403/670) ======================= q-point: (-0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.913 ( -9.116 -5.263 -0.750) 10.554 5.119 ( -20.326 -11.735 -9.567) 25.346 6.301 ( -14.649 -8.458 1.267) 16.963 7.042 ( -11.634 -6.717 -3.420) 13.863 7.799 ( 6.167 3.561 1.420) 7.262 9.752 ( -9.139 -5.277 5.181) 11.757 9.990 ( -10.708 -6.182 -0.239) 12.367 11.257 ( -12.679 -7.320 -11.870) 18.848 11.284 ( -1.017 -0.587 -0.061) 1.176 13.191 ( 6.535 3.773 -0.548) 7.565 13.878 ( 5.355 3.092 3.974) 7.350 17.494 ( 19.744 11.399 5.678) 23.494 ======================= Grid point 1162 (404/670) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( -26.179 -15.115 -5.115) 30.659 4.631 ( -16.689 -9.636 -0.090) 19.271 5.956 ( -15.688 -9.057 -0.074) 18.115 6.695 ( -18.675 -10.782 0.622) 21.573 7.897 ( 2.900 1.674 -5.914) 6.796 9.380 ( -28.688 -16.563 6.356) 33.730 9.736 ( -11.679 -6.743 -0.822) 13.510 11.037 ( -1.205 -0.696 -6.937) 7.075 11.267 ( -0.419 -0.242 0.406) 0.632 13.325 ( 7.543 4.355 -9.802) 13.112 14.134 ( 14.669 8.469 7.184) 18.399 17.946 ( 18.847 10.881 4.788) 22.283 ======================= Grid point 1169 (405/670) ======================= q-point: ( 0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 23.801 27.932) 36.697 1.916 ( 0.000 38.024 32.315) 49.901 2.736 ( 0.000 35.538 51.509) 62.579 4.870 ( -0.000 3.353 -7.880) 8.563 4.951 ( -0.000 12.970 -8.763) 15.653 8.266 ( 0.000 -19.334 0.607) 19.344 8.845 ( -0.000 1.299 -0.718) 1.484 11.399 ( -0.000 22.837 -16.044) 27.910 11.483 ( 0.000 -1.358 0.464) 1.435 11.797 ( -0.000 79.520 -53.392) 95.782 15.991 ( 0.000 0.930 7.535) 7.593 18.402 ( -0.000 3.154 -10.261) 10.735 ======================= Grid point 1170 (406/670) ======================= q-point: ( 0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 24.540 26.114 21.867) 41.980 2.440 ( 10.953 22.587 36.597) 44.379 3.527 ( 25.397 52.427 32.552) 66.732 4.884 ( 0.808 5.490 -8.992) 10.566 5.197 ( 13.751 18.521 -9.219) 24.842 8.086 ( -3.296 -6.724 -4.931) 8.966 8.929 ( 6.404 2.102 -0.178) 6.743 11.434 ( -2.709 -1.587 -0.041) 3.140 11.487 ( 1.819 1.516 -1.875) 3.020 12.606 ( 28.453 43.725 -57.902) 77.937 16.010 ( -0.975 -3.104 10.534) 11.025 18.339 ( -5.121 0.748 -17.722) 18.463 ======================= Grid point 1171 (407/670) ======================= q-point: ( 0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 28.030 26.998 17.454) 42.652 2.949 ( 14.533 17.492 31.079) 38.510 4.641 ( 35.388 44.255 22.094) 60.819 4.953 ( 3.515 8.369 -9.878) 13.416 5.714 ( 27.146 26.235 -10.458) 39.173 7.991 ( -1.064 -1.735 -7.423) 7.698 9.079 ( 7.790 4.381 0.298) 8.943 11.363 ( -3.519 -1.819 -0.203) 3.966 11.492 ( -0.264 -2.498 -2.053) 3.244 13.088 ( 16.737 13.408 -38.378) 43.963 15.948 ( -5.035 -8.910 17.076) 19.908 18.131 ( -10.639 -1.716 -24.398) 26.672 ======================= Grid point 1172 (408/670) ======================= q-point: ( 0.37 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 18.583 17.095 21.479) 33.150 3.641 ( 26.289 26.150 14.236) 39.719 5.074 ( 6.075 10.474 -10.602) 16.094 5.586 ( 26.982 26.359 15.861) 40.919 6.555 ( 39.711 33.640 -11.934) 53.395 7.984 ( 3.252 3.704 -5.082) 7.080 9.274 ( 8.861 6.842 0.666) 11.215 11.283 ( -3.588 -2.310 -0.692) 4.323 11.419 ( -2.954 -4.306 -2.528) 5.802 13.237 ( 6.175 1.004 -24.309) 25.101 15.774 ( -10.682 -14.100 23.479) 29.397 17.818 ( -12.945 -3.148 -27.520) 30.575 ======================= Grid point 1173 (409/670) ======================= q-point: ( 0.42 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 21.304 16.121 12.356) 29.436 4.308 ( 19.681 21.593 11.076) 31.245 5.297 ( 10.393 15.744 -10.150) 21.422 6.228 ( 21.050 17.022 11.647) 29.470 7.312 ( 20.266 14.631 -20.130) 32.093 8.290 ( 23.583 21.516 4.816) 32.285 9.509 ( 9.671 9.014 1.092) 13.266 11.192 ( -2.115 -5.258 -1.153) 5.784 11.341 ( -2.008 0.478 -1.270) 2.424 13.187 ( -1.106 -4.503 -17.451) 18.056 15.458 ( -18.205 -18.073 23.986) 35.120 17.491 ( -11.121 -4.091 -24.208) 26.952 ======================= Grid point 1174 (410/670) ======================= q-point: ( 0.47 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.561 ( 21.177 12.892 5.198) 25.332 4.761 ( 10.720 15.709 4.839) 19.624 5.671 ( 15.095 21.716 -5.833) 27.082 6.706 ( 15.337 11.701 8.010) 20.888 7.479 ( 4.213 2.851 -18.339) 19.032 9.012 ( 25.761 23.009 4.532) 34.837 9.773 ( 9.728 10.702 1.604) 14.551 11.143 ( 2.723 -4.343 -0.689) 5.173 11.390 ( 5.406 7.030 0.327) 8.874 13.034 ( -4.006 -5.891 -13.258) 15.051 14.973 ( -25.440 -19.796 17.276) 36.573 17.223 ( -7.799 -5.777 -15.292) 18.112 ======================= Grid point 1175 (411/670) ======================= q-point: ( 0.53 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.932 ( 8.688 6.833 1.843) 11.205 5.117 ( 16.258 15.592 -3.263) 22.761 6.125 ( 13.519 22.338 -1.479) 26.152 6.979 ( 5.080 5.178 -2.043) 7.536 7.521 ( 3.974 3.652 -6.103) 8.147 9.492 ( 10.870 12.350 2.032) 16.577 10.041 ( 8.372 11.654 2.086) 14.500 11.166 ( 3.076 -1.787 -1.692) 3.939 11.680 ( 15.675 10.893 -0.520) 19.096 12.920 ( 1.797 -2.471 -5.698) 6.465 14.370 ( -28.398 -18.770 8.848) 35.172 17.007 ( -6.183 -8.108 -6.894) 12.308 ======================= Grid point 1176 (412/670) ======================= q-point: ( 0.58 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.079 ( 2.678 5.994 -0.274) 6.570 5.514 ( 16.284 12.238 -10.031) 22.706 6.505 ( 7.777 18.352 1.027) 19.959 6.986 ( -3.352 1.928 -9.694) 10.437 7.641 ( 3.979 4.465 5.971) 8.451 9.713 ( 5.849 7.664 0.690) 9.666 10.276 ( 4.939 11.614 2.420) 12.850 11.191 ( 2.970 -1.888 -2.560) 4.352 11.931 ( 3.596 5.744 -9.248) 11.465 13.099 ( 16.650 4.082 10.197) 19.946 13.772 ( -23.410 -14.420 0.931) 27.511 16.807 ( -5.598 -9.567 -2.300) 11.321 ======================= Grid point 1177 (413/670) ======================= q-point: ( 0.63 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.151 ( 0.015 4.974 -1.092) 5.092 5.795 ( 9.680 7.894 -17.328) 21.360 6.724 ( 2.302 8.872 1.823) 9.346 6.938 ( -3.919 9.466 -5.762) 11.755 7.736 ( 0.320 1.839 9.305) 9.491 9.873 ( 5.140 6.162 -0.288) 8.029 10.425 ( -0.698 9.482 2.187) 9.756 11.219 ( 4.109 -2.324 -2.595) 5.387 11.898 ( -6.004 3.081 -13.355) 14.963 13.192 ( -14.828 -8.067 13.682) 21.729 13.650 ( 18.574 2.304 2.276) 18.854 16.640 ( -2.401 -8.220 -0.764) 8.597 ======================= Grid point 1178 (414/670) ======================= q-point: (-0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.169 ( -2.283 3.438 -1.324) 4.334 5.839 ( -2.346 1.055 -19.903) 20.069 6.845 ( 2.371 9.175 1.100) 9.540 6.972 ( -3.612 11.292 -3.051) 12.242 7.747 ( -2.745 -1.577 10.747) 11.203 9.978 ( 1.022 3.493 -0.231) 3.646 10.442 ( -6.003 4.895 1.276) 7.850 11.268 ( 3.732 -0.284 -1.614) 4.076 11.748 ( -8.346 2.087 -14.780) 17.102 12.985 ( -5.886 -1.934 8.591) 10.592 13.923 ( 9.124 -4.567 8.309) 13.158 16.613 ( 7.036 -2.942 0.156) 7.628 ======================= Grid point 1179 (415/670) ======================= q-point: (-0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.128 ( -4.823 0.888 -1.320) 5.079 5.648 ( -11.102 -3.139 -15.783) 19.550 6.852 ( -16.497 14.246 2.505) 21.941 7.080 ( 8.141 3.440 -9.630) 13.070 7.709 ( -2.192 -3.002 12.312) 12.861 9.963 ( -4.633 0.217 1.300) 4.817 10.341 ( -9.658 1.213 0.531) 9.748 11.304 ( 0.296 0.260 -0.935) 1.015 11.590 ( -7.322 2.255 -14.815) 16.679 13.002 ( 3.108 2.445 7.249) 8.257 13.914 ( -2.332 -9.876 6.428) 12.013 16.830 ( 17.882 2.632 2.184) 18.206 ======================= Grid point 1180 (416/670) ======================= q-point: (-0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.003 ( -8.452 -4.209 -1.365) 9.541 5.333 ( -17.180 -3.236 -10.478) 20.382 6.635 ( -23.533 9.753 1.592) 25.523 7.101 ( -3.453 -3.654 -8.136) 9.564 7.745 ( 4.088 0.498 6.600) 7.780 9.869 ( -6.806 -0.707 3.666) 7.763 10.153 ( -12.796 -1.221 0.179) 12.856 11.245 ( -4.344 -6.627 -4.771) 9.249 11.441 ( -9.559 5.215 -7.831) 13.412 13.124 ( 5.234 2.063 2.503) 6.158 13.825 ( 2.072 -4.764 4.454) 6.843 17.229 ( 23.017 4.923 3.729) 23.831 ======================= Grid point 1181 (417/670) ======================= q-point: (-0.16 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.718 ( -16.128 -12.972 -1.796) 20.776 4.969 ( -21.583 0.568 -4.559) 22.066 6.287 ( -26.265 5.147 0.203) 26.766 6.871 ( -13.587 -8.839 -2.013) 16.333 7.840 ( 3.972 1.489 -3.017) 5.206 9.685 ( -18.106 -5.673 5.590) 19.780 9.904 ( -13.971 -2.822 -0.081) 14.253 11.023 ( -5.706 -8.591 -6.538) 12.212 11.354 ( -6.443 6.244 -1.162) 9.047 13.217 ( 5.636 1.684 -7.225) 9.317 13.978 ( 13.577 3.565 7.372) 15.856 17.682 ( 23.373 4.867 3.168) 24.084 ======================= Grid point 1189 (418/670) ======================= q-point: ( 0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 33.842 20.235) 39.430 2.702 ( 0.000 21.946 38.305) 44.146 3.988 ( 0.000 61.282 27.883) 67.327 4.906 ( -0.000 5.939 -8.792) 10.610 5.258 ( -0.000 25.652 -11.375) 28.061 8.028 ( -0.000 -6.022 -5.731) 8.313 8.898 ( -0.000 4.703 -0.377) 4.719 11.444 ( 0.000 -2.792 0.344) 2.813 11.469 ( -0.000 -0.057 -2.032) 2.033 12.632 ( -0.000 39.675 -49.980) 63.813 16.012 ( 0.000 -6.122 11.793) 13.288 18.338 ( -0.000 0.600 -19.599) 19.609 ======================= Grid point 1190 (419/670) ======================= q-point: ( 0.32 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 18.759 33.486 17.075) 42.009 3.072 ( 5.761 19.699 33.936) 39.660 4.778 ( 14.318 52.590 21.820) 58.710 4.961 ( 2.610 9.443 -9.220) 13.453 5.617 ( 13.814 33.976 -12.935) 38.891 7.963 ( -0.392 -1.378 -7.031) 7.175 9.006 ( 6.039 6.160 0.092) 8.627 11.393 ( -2.380 -2.563 -0.373) 3.518 11.453 ( 0.366 -3.879 -2.060) 4.407 12.885 ( 10.272 18.735 -36.489) 42.285 15.957 ( -1.870 -11.610 15.784) 19.683 18.205 ( -7.591 -0.504 -23.453) 24.656 ======================= Grid point 1191 (420/670) ======================= q-point: ( 0.37 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 10.343 19.158 25.299) 33.378 3.547 ( 23.655 31.238 14.652) 41.833 5.069 ( 4.386 12.425 -10.264) 16.702 5.545 ( 17.488 31.606 15.289) 39.224 6.312 ( 27.634 42.970 -12.552) 52.608 7.966 ( 2.082 5.573 -5.310) 7.974 9.201 ( 8.560 8.250 0.539) 11.900 11.310 ( -3.644 -4.480 -1.733) 6.029 11.397 ( -0.613 -4.495 -1.722) 4.852 13.052 ( 8.031 3.987 -24.401) 25.996 15.822 ( -5.021 -17.278 20.831) 27.526 17.936 ( -13.238 -1.402 -26.035) 29.241 ======================= Grid point 1192 (421/670) ======================= q-point: ( 0.42 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 14.221 18.076 16.471) 28.289 4.249 ( 20.197 26.476 12.063) 35.418 5.284 ( 8.041 18.996 -10.705) 23.240 6.120 ( 17.563 20.322 10.625) 28.885 7.071 ( 22.094 24.878 -17.613) 37.647 8.205 ( 14.437 23.447 2.702) 27.667 9.449 ( 9.606 10.888 1.050) 14.558 11.170 ( -3.874 -8.729 -2.164) 9.792 11.363 ( -0.322 0.541 -1.231) 1.383 13.071 ( 2.654 -3.991 -17.438) 18.085 15.580 ( -10.361 -21.777 23.124) 33.411 17.596 ( -14.457 -2.564 -24.677) 28.715 ======================= Grid point 1193 (422/670) ======================= q-point: ( 0.47 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.407 ( 16.252 15.439 8.747) 24.062 4.765 ( 11.580 18.747 6.562) 22.992 5.658 ( 13.153 27.228 -6.945) 31.025 6.601 ( 15.663 14.789 7.443) 22.792 7.367 ( 7.092 6.949 -18.699) 21.171 8.872 ( 24.151 32.370 5.691) 40.785 9.734 ( 9.791 13.448 1.714) 16.723 11.042 ( 0.636 -8.687 -1.042) 8.772 11.398 ( 2.014 5.772 -1.199) 6.230 12.970 ( -1.396 -7.065 -13.744) 15.516 15.193 ( -18.110 -23.584 19.255) 35.425 17.270 ( -11.313 -5.266 -17.839) 21.770 ======================= Grid point 1194 (423/670) ======================= q-point: ( 0.53 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( 14.254 10.853 2.750) 18.125 5.086 ( 7.608 16.295 0.031) 17.984 6.148 ( 13.229 27.989 -1.473) 30.993 6.938 ( 7.896 9.640 -1.780) 12.588 7.470 ( 5.299 7.212 -8.316) 12.217 9.472 ( 12.009 21.503 3.608) 24.892 10.038 ( 8.844 15.377 2.310) 17.889 11.041 ( 6.924 -5.654 -1.212) 9.021 11.568 ( 9.787 11.192 -0.919) 14.896 12.842 ( -0.248 -5.874 -9.347) 11.043 14.658 ( -24.702 -22.066 11.783) 35.156 17.002 ( -7.358 -9.438 -9.052) 15.005 ======================= Grid point 1195 (424/670) ======================= q-point: ( 0.58 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.078 ( 6.311 7.442 -0.398) 9.765 5.387 ( 10.979 15.694 -6.206) 20.133 6.571 ( 8.271 19.271 1.960) 21.062 7.045 ( -0.814 9.638 -11.025) 14.667 7.652 ( 5.132 10.907 4.154) 12.749 9.740 ( 2.495 12.056 1.764) 12.438 10.332 ( 6.436 16.569 2.853) 18.003 11.090 ( 4.726 -4.652 -3.186) 7.357 11.875 ( 10.180 11.406 -4.996) 16.083 12.872 ( 12.364 -1.142 0.500) 12.426 14.055 ( -26.355 -18.202 5.542) 32.505 16.773 ( -4.959 -12.958 -3.059) 14.207 ======================= Grid point 1196 (425/670) ======================= q-point: ( 0.63 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.200 ( 1.269 6.573 -1.586) 6.879 5.676 ( 9.680 12.615 -13.046) 20.568 6.756 ( 1.358 3.573 -0.305) 3.834 7.137 ( -1.687 20.282 -4.180) 20.776 7.819 ( -1.021 11.022 6.993) 13.093 9.876 ( 2.566 8.756 0.143) 9.125 10.565 ( 0.455 15.808 2.630) 16.032 11.099 ( 4.556 -5.037 -3.574) 7.675 11.999 ( -3.085 8.822 -10.524) 14.074 13.216 ( 21.442 -1.050 13.252) 25.229 13.517 ( -18.244 -11.859 -0.750) 21.773 16.571 ( -2.499 -13.725 -0.672) 13.967 ======================= Grid point 1197 (426/670) ======================= q-point: ( 0.68 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.246 ( -1.812 5.040 -1.997) 5.716 5.827 ( 1.381 8.412 -17.851) 19.782 6.802 ( 3.851 2.400 -1.842) 4.897 7.286 ( -5.570 20.809 3.219) 21.781 7.863 ( -7.333 8.117 6.634) 12.794 9.996 ( 2.267 6.755 -0.842) 7.175 10.625 ( -7.424 7.992 0.251) 10.911 11.170 ( 7.325 0.569 -1.018) 7.417 11.919 ( -10.828 7.745 -11.683) 17.712 13.126 ( -11.698 -4.958 7.034) 14.523 13.643 ( 19.992 -7.519 7.559) 22.658 16.455 ( 4.042 -10.402 -0.191) 11.162 ======================= Grid point 1198 (427/670) ======================= q-point: (-0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.221 ( -4.649 2.125 -2.072) 5.516 5.770 ( -8.645 5.285 -15.813) 18.781 6.934 ( 8.624 3.605 -6.756) 11.533 7.348 ( -13.979 21.635 6.174) 26.488 7.790 ( -8.606 1.521 7.043) 11.225 10.048 ( -2.612 4.006 -0.251) 4.789 10.523 ( -9.350 2.395 -0.854) 9.689 11.286 ( 3.030 1.763 -0.070) 3.506 11.758 ( -11.808 9.218 -11.228) 18.721 13.022 ( -1.435 0.424 5.567) 5.765 13.786 ( 6.946 -14.489 7.581) 17.766 16.542 ( 15.396 -4.700 0.655) 16.110 ======================= Grid point 1199 (428/670) ======================= q-point: (-0.21 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( -8.322 -2.384 -1.882) 8.859 5.573 ( -14.939 5.127 -10.779) 19.122 7.041 ( 3.702 -0.772 -9.775) 10.481 7.242 ( -27.141 22.855 2.488) 35.570 7.717 ( 0.010 -3.335 8.769) 9.382 9.998 ( -6.437 2.823 1.856) 7.270 10.364 ( -11.640 0.655 -0.378) 11.664 11.249 ( -4.565 -5.710 -3.651) 8.171 11.663 ( -10.050 13.224 -6.718) 17.917 13.072 ( 3.376 0.206 3.188) 4.648 13.726 ( 2.782 -11.999 5.356) 13.431 16.858 ( 24.031 -1.235 1.740) 24.125 ======================= Grid point 1200 (429/670) ======================= q-point: (-0.16 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.873 ( -14.167 -6.925 -0.854) 15.792 5.314 ( -18.868 5.578 -6.243) 20.642 6.907 ( -34.077 15.294 -1.217) 37.371 6.956 ( -6.939 -5.648 -4.059) 9.825 7.772 ( 4.643 -0.302 1.646) 4.936 9.915 ( -9.634 2.840 4.303) 10.927 10.136 ( -15.230 -1.006 0.291) 15.266 11.029 ( -8.501 -10.944 -5.190) 14.798 11.587 ( -11.805 11.246 -2.309) 16.467 13.118 ( 3.945 -1.740 -4.811) 6.461 13.798 ( 12.052 -1.511 7.408) 14.227 17.288 ( 26.755 -0.569 1.223) 26.789 ======================= Grid point 1209 (430/670) ======================= q-point: ( 0.32 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 0.000 36.286 15.945) 39.635 3.327 ( 0.000 19.866 31.723) 37.430 4.985 ( -0.000 8.550 -9.672) 12.909 5.226 ( 0.000 44.403 18.895) 48.256 5.845 ( -0.000 46.983 -14.310) 49.114 7.945 ( -0.000 2.498 -6.335) 6.810 9.025 ( -0.000 8.531 0.490) 8.545 11.384 ( 0.000 -3.415 -0.039) 3.416 11.393 ( -0.000 -6.142 -3.018) 6.844 12.862 ( -0.000 13.954 -28.896) 32.089 15.893 ( 0.000 -15.893 16.903) 23.202 18.189 ( -0.000 -0.781 -24.537) 24.549 ======================= Grid point 1210 (431/670) ======================= q-point: ( 0.37 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 14.895 34.042 14.186) 39.774 3.646 ( 4.010 19.613 25.634) 32.525 5.080 ( 4.112 11.634 -10.243) 16.036 5.686 ( 6.783 28.924 11.474) 31.848 6.398 ( 11.897 50.251 -12.259) 53.076 7.999 ( 1.611 11.791 -3.750) 12.477 9.169 ( 5.679 10.295 0.958) 11.796 11.291 ( -2.290 -8.495 -2.994) 9.293 11.355 ( 0.474 -3.096 -0.530) 3.177 12.918 ( 4.165 5.007 -20.699) 21.699 15.759 ( -1.986 -20.675 19.174) 28.267 18.027 ( -8.255 -1.402 -25.282) 26.632 ======================= Grid point 1211 (432/670) ======================= q-point: ( 0.42 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 7.638 18.725 17.780) 26.927 4.220 ( 18.900 27.873 12.481) 35.914 5.296 ( 8.799 18.909 -10.575) 23.384 6.106 ( 11.320 20.843 7.720) 24.944 6.982 ( 13.333 29.351 -15.523) 35.780 8.273 ( 9.274 30.257 2.253) 31.727 9.408 ( 9.000 12.412 1.406) 15.396 11.135 ( -3.954 -10.565 -2.319) 11.517 11.351 ( 1.487 -0.190 -0.976) 1.789 12.935 ( 2.919 -2.374 -15.198) 15.656 15.549 ( -4.889 -24.797 20.606) 32.610 17.738 ( -13.876 -2.465 -23.897) 27.743 ======================= Grid point 1212 (433/670) ======================= q-point: ( 0.47 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 10.564 16.393 10.586) 22.190 4.759 ( 13.787 18.848 7.838) 24.633 5.687 ( 13.577 28.690 -7.389) 32.589 6.515 ( 14.099 15.005 5.065) 21.203 7.280 ( 6.892 12.171 -16.133) 21.353 8.882 ( 18.160 39.308 5.112) 43.601 9.709 ( 10.399 14.885 2.044) 18.273 10.962 ( -2.914 -10.745 -1.119) 11.190 11.403 ( 3.096 4.285 -1.567) 5.514 12.870 ( 0.008 -6.242 -12.226) 13.727 15.242 ( -9.892 -26.959 18.781) 34.313 17.386 ( -15.014 -4.868 -19.135) 24.804 ======================= Grid point 1213 (434/670) ======================= q-point: ( 0.53 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.723 ( 11.587 12.707 4.380) 17.746 5.114 ( 8.578 15.158 1.866) 17.517 6.194 ( 13.365 28.166 -0.896) 31.189 6.874 ( 11.772 12.066 -3.621) 17.241 7.441 ( 5.844 11.888 -7.721) 15.333 9.529 ( 13.245 30.740 4.270) 33.743 10.046 ( 10.187 17.017 2.728) 20.020 10.861 ( 3.869 -9.206 -0.683) 10.010 11.539 ( 6.277 9.866 -1.973) 11.859 12.759 ( -0.876 -6.327 -9.615) 11.543 14.817 ( -16.565 -25.855 13.411) 33.507 17.038 ( -12.160 -9.164 -11.734) 19.223 ======================= Grid point 1214 (435/670) ======================= q-point: ( 0.58 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.012 ( 9.481 8.553 -0.326) 12.772 5.389 ( 7.184 15.902 -2.639) 17.647 6.595 ( 8.385 13.492 3.459) 16.258 7.103 ( 4.451 15.196 -12.426) 20.128 7.706 ( 8.012 19.376 2.963) 21.176 9.878 ( -0.243 18.240 2.743) 18.447 10.383 ( 8.732 17.964 3.327) 20.249 10.906 ( 9.291 -6.956 -2.390) 11.850 11.799 ( 11.222 13.820 -2.723) 18.009 12.700 ( 4.207 -3.943 -4.812) 7.510 14.294 ( -21.748 -21.771 7.560) 31.688 16.731 ( -8.019 -13.930 -4.948) 16.817 ======================= Grid point 1215 (436/670) ======================= q-point: ( 0.63 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.199 ( 5.245 5.870 -2.771) 8.345 5.647 ( 6.824 15.924 -7.463) 18.864 6.749 ( 2.308 1.579 0.211) 2.804 7.285 ( 2.910 15.246 -3.639) 15.943 8.034 ( 1.299 27.016 3.744) 27.305 9.978 ( -3.221 11.616 0.797) 12.080 10.699 ( 5.673 18.529 3.869) 19.760 10.949 ( 4.967 -6.968 -4.276) 9.566 12.073 ( 4.607 13.634 -6.797) 15.916 12.847 ( 18.569 -3.990 3.461) 19.306 13.754 ( -22.183 -15.900 3.995) 27.584 16.471 ( -4.109 -16.619 -1.151) 17.158 ======================= Grid point 1216 (437/670) ======================= q-point: ( 0.68 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.289 ( 1.182 4.064 -3.530) 5.512 5.852 ( 3.114 14.697 -12.275) 19.400 6.773 ( 1.113 0.818 -1.671) 2.168 7.448 ( 2.607 7.260 6.029) 9.790 8.249 ( -11.069 31.173 1.589) 33.118 10.044 ( -0.207 8.629 -0.944) 8.683 10.814 ( -6.851 3.889 -2.143) 8.165 11.048 ( 9.803 6.000 1.442) 11.584 12.150 ( -7.298 13.545 -8.696) 17.673 13.189 ( 24.976 -10.352 8.026) 28.203 13.317 ( -16.010 -8.697 2.830) 18.438 16.283 ( 1.204 -15.470 -0.060) 15.517 ======================= Grid point 1217 (438/670) ======================= q-point: (-0.26 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.295 ( -2.608 1.837 -3.326) 4.608 5.931 ( -5.129 13.307 -13.637) 19.732 6.826 ( 4.981 1.880 -4.038) 6.682 7.549 ( 2.028 0.131 11.903) 12.075 8.265 ( -23.022 30.994 -0.516) 38.612 10.118 ( -0.039 6.627 -1.493) 6.793 10.682 ( -8.680 0.176 -2.448) 9.020 11.244 ( 4.988 4.142 1.110) 6.577 12.074 ( -13.766 15.643 -7.010) 21.986 13.090 ( -6.092 -2.534 2.306) 6.990 13.447 ( 17.611 -17.508 8.178) 26.145 16.247 ( 10.661 -10.830 0.095) 15.197 ======================= Grid point 1218 (439/670) ======================= q-point: (-0.21 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.214 ( -6.676 -0.679 -2.277) 7.087 5.858 ( -12.969 12.117 -10.876) 20.816 6.922 ( 6.042 0.356 -8.282) 10.258 7.610 ( 2.567 -3.058 13.674) 14.245 8.079 ( -31.897 26.730 -1.641) 41.649 10.141 ( -4.366 6.231 -0.128) 7.609 10.533 ( -8.779 0.113 -1.115) 8.850 11.253 ( -3.220 -5.203 -2.305) 6.538 12.003 ( -13.132 19.977 -3.840) 24.213 13.037 ( 0.323 -2.692 1.233) 2.979 13.511 ( 9.288 -16.588 6.458) 20.079 16.438 ( 21.445 -6.357 0.374) 22.371 ======================= Grid point 1219 (440/670) ======================= q-point: (-0.16 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.042 ( -11.542 -2.508 -0.315) 11.816 5.675 ( -17.915 10.118 -7.527) 21.908 6.935 ( -0.084 -3.746 -8.078) 8.905 7.675 ( -3.444 3.820 9.740) 11.014 7.718 ( -29.792 13.819 -2.998) 32.977 10.113 ( -7.020 7.989 2.706) 10.974 10.363 ( -11.964 -0.579 0.230) 11.980 11.054 ( -8.709 -11.148 -3.994) 14.699 11.942 ( -15.428 16.101 -2.115) 22.399 13.015 ( 2.608 -5.673 -3.687) 7.252 13.588 ( 12.175 -5.633 7.497) 15.368 16.806 ( 27.472 -4.492 -0.318) 27.839 ======================= Grid point 1229 (441/670) ======================= q-point: ( 0.37 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( 0.000 33.179 13.461) 35.806 3.881 ( 0.000 19.304 21.916) 29.206 5.119 ( -0.000 12.544 -10.211) 16.175 5.923 ( 0.000 24.753 6.609) 25.620 6.730 ( -0.000 42.502 -12.253) 44.233 8.145 ( -0.000 24.592 -0.664) 24.600 9.232 ( -0.000 12.078 1.501) 12.171 11.212 ( -0.000 -9.791 -2.470) 10.098 11.317 ( -0.000 -3.149 -0.616) 3.209 12.866 ( -0.000 2.601 -15.644) 15.858 15.620 ( 0.000 -24.204 18.516) 30.474 18.000 ( -0.000 -2.271 -24.571) 24.676 ======================= Grid point 1230 (442/670) ======================= q-point: ( 0.42 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 2.861 18.192 16.170) 24.507 4.265 ( 11.326 26.993 11.904) 31.600 5.293 ( 7.937 18.174 -9.891) 22.161 6.193 ( 4.369 19.683 4.140) 20.582 7.060 ( 4.362 25.119 -13.473) 28.836 8.497 ( 4.980 39.096 2.369) 39.483 9.411 ( 5.787 13.633 1.903) 14.932 11.087 ( -2.848 -9.774 -1.053) 10.235 11.306 ( 2.178 -1.643 -0.943) 2.887 12.842 ( 0.944 -1.050 -11.724) 11.809 15.415 ( -1.935 -27.236 17.908) 32.653 17.824 ( -8.208 -3.639 -22.684) 24.396 ======================= Grid point 1231 (443/670) ======================= q-point: ( 0.47 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( 5.544 15.966 10.214) 19.748 4.728 ( 13.263 17.210 8.035) 23.166 5.690 ( 15.863 27.886 -7.289) 32.900 6.469 ( 8.476 12.924 2.281) 15.623 7.277 ( 4.035 15.559 -12.009) 20.064 9.044 ( 11.288 41.308 2.981) 42.926 9.691 ( 9.800 15.435 2.349) 18.434 10.930 ( -4.790 -8.755 0.353) 9.986 11.363 ( 4.862 2.244 -1.275) 5.504 12.790 ( -0.594 -3.372 -9.382) 9.987 15.144 ( -4.613 -29.053 16.156) 33.561 17.522 ( -13.848 -5.763 -18.941) 24.161 ======================= Grid point 1232 (444/670) ======================= q-point: ( 0.53 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( 7.577 12.777 4.962) 15.661 5.089 ( 11.328 12.476 3.149) 17.143 6.234 ( 14.466 28.242 -1.439) 31.763 6.752 ( 13.467 10.256 -4.019) 17.398 7.458 ( 4.884 15.093 -6.010) 16.964 9.627 ( 13.304 32.073 2.272) 34.797 10.039 ( 11.516 17.195 3.001) 20.912 10.776 ( -3.971 -7.331 0.895) 8.386 11.509 ( 7.405 7.999 -1.807) 11.049 12.704 ( -2.113 -3.231 -7.594) 8.519 14.802 ( -8.648 -28.707 12.604) 32.523 17.148 ( -15.570 -9.030 -13.429) 22.456 ======================= Grid point 1233 (445/670) ======================= q-point: ( 0.58 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.950 ( 7.971 9.146 0.711) 12.153 5.388 ( 9.697 12.894 -0.420) 16.139 6.593 ( 6.195 9.804 3.589) 12.140 7.097 ( 11.336 18.806 -11.754) 24.906 7.750 ( 11.367 21.139 2.037) 24.088 10.059 ( 5.377 20.628 1.840) 21.396 10.408 ( 10.295 17.905 3.268) 20.911 10.695 ( 3.727 -6.889 0.087) 7.833 11.751 ( 9.841 13.469 -2.534) 16.873 12.628 ( -1.113 -1.669 -5.269) 5.638 14.387 ( -13.459 -25.566 8.079) 30.001 16.760 ( -13.520 -13.120 -7.372) 20.231 ======================= Grid point 1234 (446/670) ======================= q-point: ( 0.63 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( 6.565 5.991 -2.211) 9.158 5.662 ( 8.034 14.489 -3.454) 16.924 6.718 ( 3.042 1.065 1.666) 3.628 7.346 ( 3.608 13.317 -5.202) 14.746 8.230 ( 12.115 31.191 2.379) 33.545 10.202 ( -6.650 13.581 1.082) 15.161 10.697 ( 9.780 2.627 -1.193) 10.197 10.810 ( 8.791 8.185 2.980) 12.376 12.061 ( 10.627 15.321 -3.580) 18.987 12.619 ( 4.401 -2.742 -1.793) 5.487 13.929 ( -16.816 -19.964 4.510) 26.490 16.409 ( -9.094 -16.454 -2.674) 18.989 ======================= Grid point 1235 (447/670) ======================= q-point: ( 0.68 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.268 ( 3.882 3.758 -3.620) 6.503 5.906 ( 5.340 15.678 -6.645) 17.846 6.758 ( 1.241 0.367 -0.369) 1.345 7.466 ( 1.749 3.853 3.138) 5.267 8.690 ( 1.424 36.808 0.502) 36.839 10.189 ( -6.895 9.728 -0.660) 11.942 10.798 ( 5.616 -5.168 -3.109) 8.241 11.066 ( 4.045 16.300 3.761) 17.210 12.323 ( 2.487 16.414 -5.642) 17.534 12.724 ( 16.368 -11.601 2.944) 20.277 13.501 ( -15.874 -12.595 3.089) 20.498 16.135 ( -3.224 -17.051 -0.362) 17.357 ======================= Grid point 1236 (448/670) ======================= q-point: ( 0.74 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.320 ( 0.321 2.163 -3.581) 4.196 6.086 ( 0.140 16.529 -9.545) 19.087 6.779 ( 1.355 1.009 -2.142) 2.728 7.513 ( 2.193 -4.252 9.021) 10.211 8.945 ( -14.972 37.708 -0.726) 40.578 10.185 ( -1.951 6.536 -1.850) 7.067 10.780 ( -3.005 -0.778 -1.858) 3.618 11.244 ( 1.110 8.369 1.051) 8.508 12.415 ( -8.047 17.812 -4.038) 19.958 12.919 ( 21.564 -20.226 3.179) 29.736 13.212 ( -8.715 -5.521 3.739) 10.973 15.992 ( 4.933 -14.160 0.138) 14.995 ======================= Grid point 1237 (449/670) ======================= q-point: (-0.21 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( -3.818 1.043 -2.272) 4.564 6.147 ( -8.390 16.420 -10.384) 21.162 6.815 ( 3.663 0.005 -5.027) 6.220 7.531 ( 3.746 -8.396 11.753) 14.921 8.897 ( -30.034 31.479 -1.028) 43.520 10.238 ( 0.548 7.178 -1.800) 7.420 10.682 ( -8.652 1.843 0.207) 8.849 11.249 ( -3.163 -3.625 -2.098) 5.249 12.421 ( -12.197 21.021 -0.634) 24.312 12.972 ( 4.399 -13.964 -2.897) 14.924 13.174 ( 10.688 -10.782 7.547) 16.954 16.047 ( 15.513 -9.549 -0.053) 18.216 ======================= Grid point 1238 (450/670) ======================= q-point: (-0.16 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.200 ( -8.262 0.572 -0.087) 8.282 6.051 ( -16.313 13.316 -8.737) 22.799 6.851 ( 3.269 -1.999 -7.184) 8.142 7.567 ( 5.774 -7.420 9.277) 13.208 8.565 ( -38.740 20.560 -0.223) 43.858 10.308 ( -2.900 11.190 0.058) 11.560 10.536 ( -10.452 0.186 1.916) 10.628 11.075 ( -7.608 -10.318 -3.296) 13.237 12.375 ( -16.806 16.944 -1.105) 23.890 12.886 ( 2.865 -10.161 -4.365) 11.424 13.327 ( 14.578 -6.622 7.550) 17.702 16.311 ( 24.352 -6.191 -0.976) 25.145 ======================= Grid point 1249 (451/670) ======================= q-point: ( 0.42 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 0.000 16.768 12.653) 21.007 4.447 ( 0.000 22.160 9.973) 24.300 5.371 ( -0.000 20.855 -8.462) 22.506 6.343 ( -0.000 15.784 1.464) 15.852 7.202 ( -0.000 19.372 -10.992) 22.273 8.860 ( -0.000 42.177 1.568) 42.206 9.503 ( 0.000 14.507 2.264) 14.683 11.035 ( 0.000 -6.553 1.520) 6.727 11.259 ( -0.000 -2.239 -1.230) 2.555 12.799 ( -0.000 -0.206 -8.616) 8.619 15.212 ( 0.000 -29.001 15.362) 32.818 17.780 ( -0.000 -5.482 -20.736) 21.449 ======================= Grid point 1250 (452/670) ======================= q-point: ( 0.47 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.546 ( 1.917 14.510 8.278) 16.815 4.723 ( 7.806 14.285 6.747) 17.621 5.680 ( 12.561 26.738 -5.848) 30.115 6.493 ( 2.776 9.838 -0.109) 10.223 7.359 ( 1.435 16.964 -8.063) 18.838 9.290 ( 5.248 35.776 -0.045) 36.158 9.709 ( 6.346 15.401 2.513) 16.846 10.960 ( -4.703 -2.783 3.530) 6.506 11.284 ( 5.124 0.221 -0.926) 5.212 12.771 ( -1.294 1.332 -6.451) 6.713 14.958 ( -1.852 -29.821 12.665) 32.451 17.585 ( -7.959 -7.699 -17.679) 20.861 ======================= Grid point 1251 (453/670) ======================= q-point: ( 0.53 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.741 ( 3.957 11.646 4.386) 13.059 5.013 ( 11.093 9.741 3.591) 15.193 6.225 ( 18.907 28.862 -2.584) 34.599 6.635 ( 7.383 5.630 -2.387) 9.587 7.530 ( 2.663 16.209 -4.416) 17.009 9.700 ( 9.784 22.691 -1.592) 24.762 10.019 ( 10.970 16.284 2.976) 19.858 10.854 ( -7.612 0.304 3.657) 8.450 11.431 ( 9.175 5.543 -0.204) 10.722 12.736 ( -3.841 4.236 -4.815) 7.475 14.659 ( -4.118 -29.321 9.533) 31.105 17.264 ( -13.673 -10.194 -13.537) 21.774 ======================= Grid point 1252 (454/670) ======================= q-point: ( 0.58 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.928 ( 5.407 8.671 1.511) 10.330 5.308 ( 12.338 9.256 1.330) 15.481 6.603 ( 3.890 7.205 2.580) 8.585 7.000 ( 20.358 22.462 -8.695) 31.537 7.761 ( 8.749 16.719 0.668) 18.881 10.033 ( 12.379 9.065 -2.424) 15.534 10.390 ( 12.758 16.161 4.132) 21.000 10.744 ( -8.509 3.153 2.460) 9.402 11.686 ( 11.839 10.609 -0.686) 15.912 12.694 ( -6.091 6.919 -3.299) 9.790 14.319 ( -6.928 -27.127 6.173) 28.671 16.864 ( -15.993 -12.737 -8.798) 22.257 ======================= Grid point 1253 (455/670) ======================= q-point: ( 0.63 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 5.578 6.018 -0.478) 8.219 5.610 ( 12.021 10.584 -0.503) 16.024 6.687 ( 2.414 0.891 2.084) 3.312 7.397 ( 5.517 16.322 -6.840) 18.537 8.223 ( 21.350 24.509 2.708) 32.617 10.268 ( 10.678 0.716 -2.091) 10.904 10.658 ( -6.347 4.901 0.290) 8.024 10.767 ( 12.382 14.657 5.537) 19.970 12.010 ( 12.501 14.109 -2.054) 18.962 12.640 ( -6.753 5.433 -2.120) 8.923 13.951 ( -9.642 -23.076 3.457) 25.248 16.449 ( -14.625 -14.680 -4.406) 21.186 ======================= Grid point 1254 (456/670) ======================= q-point: ( 0.68 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.224 ( 4.548 4.041 -1.700) 6.317 5.903 ( 10.027 12.422 -2.339) 16.134 6.733 ( 2.065 0.053 1.429) 2.512 7.511 ( -1.337 5.927 -1.540) 6.268 8.852 ( 18.594 30.434 0.892) 35.676 10.363 ( -0.277 0.977 -0.781) 1.281 10.660 ( 2.476 3.608 -2.190) 4.893 11.114 ( 10.508 13.011 5.840) 17.714 12.336 ( 9.512 14.631 -2.483) 17.627 12.554 ( -3.834 -2.721 -1.803) 5.035 13.592 ( -10.581 -16.930 2.287) 20.095 16.085 ( -10.027 -15.094 -1.385) 18.174 ======================= Grid point 1255 (457/670) ======================= q-point: ( 0.74 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( 2.451 2.836 -2.121) 4.307 6.160 ( 6.388 14.239 -4.495) 16.241 6.769 ( 1.265 0.881 -0.035) 1.542 7.491 ( -2.240 -3.221 3.401) 5.192 9.373 ( 5.933 32.248 -0.423) 32.792 10.308 ( -6.120 2.114 -1.197) 6.584 10.756 ( 4.272 2.996 -0.905) 5.296 11.370 ( 0.942 13.832 2.117) 14.024 12.424 ( 8.479 -20.443 1.509) 22.183 12.619 ( 2.555 15.951 -2.935) 16.419 13.310 ( -8.644 -8.844 1.672) 12.479 15.834 ( -2.641 -13.322 -0.071) 13.582 ======================= Grid point 1256 (458/670) ======================= q-point: (-0.21 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.345 ( -0.656 2.336 -1.548) 2.878 6.350 ( 0.501 16.024 -7.320) 17.624 6.783 ( -0.522 1.067 -2.418) 2.694 7.425 ( 1.010 -10.325 8.046) 13.129 9.597 ( -16.567 28.136 -1.059) 32.669 10.258 ( 0.943 2.090 -1.681) 2.843 10.821 ( -1.726 4.484 2.473) 5.404 11.355 ( -13.014 5.130 -3.314) 14.376 12.478 ( 22.677 -24.132 2.544) 33.213 12.754 ( -3.629 15.266 0.408) 15.696 13.137 ( -5.789 -3.648 0.033) 6.843 15.759 ( 7.281 -9.423 0.034) 11.908 ======================= Grid point 1257 (459/670) ======================= q-point: (-0.16 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.322 ( -4.494 2.389 -0.030) 5.090 6.400 ( -11.130 15.662 -9.639) 21.496 6.767 ( 1.405 -1.663 -3.909) 4.474 7.407 ( 6.158 -11.077 9.496) 15.837 9.351 ( -34.139 13.808 -0.612) 36.830 10.366 ( 5.189 5.892 -1.822) 8.059 10.781 ( -11.360 6.248 6.199) 14.370 11.111 ( -10.692 -6.544 -4.810) 13.427 12.614 ( 11.841 -14.528 -3.174) 19.009 12.800 ( -10.169 14.718 0.138) 17.890 13.081 ( 7.632 -5.371 4.188) 10.229 15.898 ( 17.385 -4.973 -0.745) 18.097 ======================= Grid point 1269 (460/670) ======================= q-point: ( 0.47 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 0.000 12.351 6.163) 13.804 4.794 ( 0.000 10.265 4.227) 11.101 5.807 ( -0.000 26.644 -3.758) 26.908 6.547 ( -0.000 6.095 -1.116) 6.196 7.493 ( -0.000 17.221 -5.228) 17.998 9.535 ( -0.000 24.461 -2.771) 24.618 9.808 ( 0.000 15.175 2.528) 15.384 11.040 ( 0.000 4.347 7.644) 8.794 11.217 ( -0.000 -1.179 -1.630) 2.012 12.810 ( -0.000 7.561 -4.064) 8.584 14.722 ( 0.000 -29.332 8.989) 30.678 17.513 ( -0.000 -10.025 -15.460) 18.426 ======================= Grid point 1270 (461/670) ======================= q-point: ( 0.53 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( 1.130 9.756 3.759) 10.516 4.951 ( 7.080 7.444 2.950) 10.688 6.182 ( 14.984 26.249 -2.325) 30.314 6.601 ( 1.775 3.042 -1.062) 3.679 7.647 ( 0.747 15.971 -3.352) 16.336 9.740 ( 4.373 12.804 -4.061) 14.127 10.023 ( 7.128 14.999 2.593) 16.808 11.023 ( -7.727 3.688 5.225) 10.030 11.318 ( 9.375 3.223 2.009) 10.115 12.878 ( -3.444 13.937 -2.156) 14.517 14.455 ( -1.834 -27.508 5.331) 28.080 17.295 ( -7.606 -12.178 -12.375) 18.955 ======================= Grid point 1271 (462/670) ======================= q-point: ( 0.58 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.943 ( 2.967 7.437 2.226) 8.311 5.185 ( 11.601 6.530 2.429) 13.532 6.614 ( 2.918 5.339 1.926) 6.382 6.806 ( 24.014 21.034 -5.070) 32.323 7.806 ( 2.987 13.174 -1.221) 13.564 9.908 ( 7.614 4.306 -3.958) 9.601 10.338 ( 11.962 14.086 3.343) 18.780 10.935 ( -8.004 3.676 2.574) 9.176 11.556 ( 12.843 5.217 2.992) 14.182 12.934 ( -8.024 17.474 -0.703) 19.241 14.167 ( -4.013 -24.394 1.925) 24.796 16.959 ( -13.168 -13.586 -8.719) 20.833 ======================= Grid point 1272 (463/670) ======================= q-point: ( 0.63 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.071 ( 4.025 5.502 1.517) 6.984 5.474 ( 14.111 6.947 1.902) 15.843 6.668 ( 1.598 0.749 1.903) 2.596 7.389 ( 16.127 20.411 -6.817) 26.892 8.063 ( 17.099 12.498 2.336) 21.308 10.057 ( 9.771 -0.893 -2.999) 10.260 10.676 ( 11.347 7.916 6.002) 15.081 10.865 ( -5.730 8.636 -0.856) 10.400 11.866 ( 16.429 6.864 1.637) 17.880 12.924 ( -12.966 15.970 -0.104) 20.571 13.864 ( -6.311 -20.773 -0.499) 21.716 16.558 ( -15.684 -13.598 -5.057) 21.365 ======================= Grid point 1273 (464/670) ======================= q-point: ( 0.68 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.189 ( 4.054 3.929 0.935) 5.722 5.793 ( 14.476 8.145 1.339) 16.664 6.706 ( 1.755 0.070 2.202) 2.816 7.604 ( -1.757 9.037 -5.424) 10.686 8.668 ( 31.718 18.623 1.983) 36.835 10.197 ( 10.228 -3.900 -1.357) 11.030 10.759 ( -2.818 3.633 0.070) 4.599 11.047 ( 9.794 10.372 4.464) 14.947 12.239 ( 17.576 9.916 -0.509) 20.187 12.788 ( -18.552 9.704 -1.010) 20.961 13.562 ( -6.980 -17.512 -0.653) 18.863 16.163 ( -14.867 -11.879 -2.164) 19.153 ======================= Grid point 1274 (465/670) ======================= q-point: ( 0.74 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.286 ( 3.308 2.869 0.271) 4.387 6.111 ( 12.535 9.760 0.571) 15.897 6.745 ( 2.132 0.014 2.058) 2.964 7.556 ( -6.651 0.334 -2.979) 7.296 9.362 ( 25.806 20.639 0.684) 33.051 10.290 ( 5.461 -5.385 0.423) 7.682 10.779 ( -0.270 7.674 -3.164) 8.305 11.327 ( 14.128 3.864 6.270) 15.932 12.462 ( -23.552 -0.444 -2.014) 23.642 12.613 ( 12.936 11.105 -2.418) 17.220 13.317 ( -4.504 -12.444 1.019) 13.273 15.839 ( -10.792 -8.943 -0.556) 14.027 ======================= Grid point 1275 (466/670) ======================= q-point: ( 0.79 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.355 ( 1.823 2.461 -0.190) 3.068 6.389 ( 8.259 11.251 -1.007) 13.993 6.793 ( 2.052 1.307 0.833) 2.572 7.394 ( -7.049 -7.616 0.038) 10.377 9.882 ( 11.868 19.755 -0.131) 23.046 10.252 ( -3.206 -6.698 0.138) 7.427 10.857 ( 1.533 5.716 -0.814) 5.974 11.657 ( 11.605 12.334 2.183) 17.075 11.990 ( -15.063 -20.353 -1.024) 25.341 12.862 ( 4.294 9.363 -1.078) 10.357 13.180 ( -2.401 -5.548 0.722) 6.089 15.649 ( -3.005 -5.140 -0.021) 5.954 ======================= Grid point 1276 (467/670) ======================= q-point: (-0.16 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.390 ( -0.626 2.578 -0.012) 2.652 6.585 ( 2.859 11.569 -4.453) 12.721 6.808 ( -5.512 4.202 -3.075) 7.583 7.229 ( 1.725 -14.537 6.186) 15.892 9.920 ( -23.600 2.617 -0.737) 23.757 10.256 ( 10.790 0.177 -0.545) 10.805 10.917 ( 0.503 2.167 2.827) 3.597 11.408 ( -26.851 -1.841 -1.682) 26.967 12.145 ( 26.881 -3.242 -1.147) 27.100 12.953 ( 2.111 0.905 2.909) 3.706 13.083 ( -7.337 0.227 -1.703) 7.535 15.657 ( 7.405 -0.385 -0.220) 7.418 ======================= Grid point 1289 (468/670) ======================= q-point: ( 0.53 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( 0.000 7.902 4.581) 9.134 4.954 ( 0.000 5.442 1.396) 5.618 6.277 ( -0.000 22.566 -1.667) 22.628 6.610 ( -0.000 1.836 -0.015) 1.836 7.779 ( -0.000 14.248 -2.943) 14.549 9.784 ( -0.000 7.057 -4.574) 8.410 10.105 ( 0.000 13.578 2.099) 13.739 11.192 ( -0.000 -0.378 -1.465) 1.513 11.214 ( 0.000 4.405 10.433) 11.325 13.077 ( -0.000 19.998 0.289) 20.000 14.235 ( 0.000 -22.759 0.659) 22.768 17.196 ( -0.000 -13.987 -10.237) 17.333 ======================= Grid point 1290 (469/670) ======================= q-point: ( 0.58 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.985 ( 0.665 5.758 3.261) 6.651 5.084 ( 7.597 4.880 3.235) 9.592 6.612 ( 11.656 15.131 0.447) 19.105 6.639 ( 6.146 5.413 -1.310) 8.294 7.894 ( 0.224 10.975 -2.685) 11.301 9.848 ( 2.943 4.024 -3.929) 6.347 10.301 ( 7.738 11.744 1.927) 14.196 11.090 ( -7.015 1.201 2.070) 7.412 11.399 ( 10.669 0.846 6.637) 12.594 13.230 ( -4.634 17.268 2.526) 18.056 14.028 ( -2.965 -13.798 -4.126) 14.704 16.967 ( -7.011 -14.564 -7.413) 17.782 ======================= Grid point 1291 (470/670) ======================= q-point: ( 0.63 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 2.500 4.497 3.361) 6.146 5.310 ( 12.461 4.508 4.074) 13.863 6.660 ( 1.024 0.864 2.029) 2.431 7.176 ( 27.217 17.445 -3.686) 32.537 7.988 ( 3.011 6.024 -1.423) 6.883 9.934 ( 4.957 2.294 -2.604) 6.051 10.570 ( 10.996 6.540 3.045) 13.151 11.017 ( -4.820 5.051 0.171) 6.984 11.637 ( 15.351 -0.038 5.803) 16.411 13.256 ( -7.758 7.600 3.757) 11.492 13.834 ( -8.745 -3.273 -7.675) 12.087 16.651 ( -12.050 -12.880 -4.372) 18.172 ======================= Grid point 1292 (471/670) ======================= q-point: ( 0.68 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 3.176 3.153 3.332) 5.580 5.606 ( 15.696 4.728 4.525) 17.006 6.693 ( 1.098 0.716 2.545) 2.863 7.662 ( 7.704 12.448 -7.762) 16.570 8.242 ( 28.254 3.952 2.331) 28.624 10.040 ( 6.322 1.145 -0.822) 6.477 10.735 ( 5.029 -2.878 3.049) 6.547 11.073 ( 1.841 11.139 -0.010) 11.290 11.962 ( 21.183 1.394 3.387) 21.497 13.158 ( -10.681 2.398 3.259) 11.422 13.594 ( -14.815 -1.208 -8.299) 17.024 16.309 ( -14.621 -8.686 -1.855) 17.107 ======================= Grid point 1293 (472/670) ======================= q-point: ( 0.74 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.258 ( 3.274 1.831 2.523) 4.521 5.944 ( 16.720 5.345 4.976) 18.245 6.726 ( 1.063 0.421 2.863) 3.083 7.675 ( -7.061 2.824 -7.199) 10.472 8.923 ( 40.461 5.731 1.435) 40.890 10.155 ( 6.194 0.281 1.032) 6.286 10.778 ( 4.143 -1.334 -1.330) 4.551 11.210 ( 3.999 3.336 4.026) 6.583 12.376 ( 23.112 4.412 0.099) 23.530 12.939 ( -22.513 4.465 0.597) 22.959 13.300 ( -10.170 -6.863 -4.593) 13.101 15.998 ( -14.832 -3.463 -0.460) 15.238 ======================= Grid point 1294 (473/670) ======================= q-point: (-0.21 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.331 ( 3.160 0.972 1.205) 3.519 6.288 ( 15.186 6.424 5.375) 17.343 6.757 ( 1.754 -0.616 2.865) 3.415 7.497 ( -11.066 -2.491 -6.739) 13.193 9.587 ( 32.689 -0.330 0.961) 32.705 10.241 ( 1.885 1.644 1.748) 3.052 10.857 ( 5.070 2.318 -4.877) 7.407 11.310 ( 11.059 -9.396 5.869) 15.654 12.497 ( -32.639 5.762 -1.348) 33.171 12.768 ( 16.557 5.841 -2.437) 17.726 13.134 ( -2.212 -6.878 0.606) 7.250 15.759 ( -11.811 1.362 0.036) 11.889 ======================= Grid point 1309 (474/670) ======================= q-point: ( 0.58 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.041 ( 0.000 3.095 0.821) 3.202 5.072 ( 0.000 5.030 8.060) 9.501 6.625 ( -0.000 14.270 -1.671) 14.367 6.642 ( 0.000 1.199 2.010) 2.340 7.978 ( -0.000 8.213 -3.715) 9.015 9.854 ( -0.000 4.243 -3.115) 5.264 10.338 ( -0.000 9.049 0.726) 9.078 11.185 ( -0.000 0.404 -0.351) 0.535 11.303 ( 0.000 -1.778 10.808) 10.953 13.368 ( 0.000 -0.024 4.338) 4.338 14.006 ( -0.000 8.001 -9.199) 12.191 16.865 ( -0.000 -13.987 -5.233) 14.934 ======================= Grid point 1310 (475/670) ======================= q-point: ( 0.63 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.087 ( 1.778 2.763 2.684) 4.242 5.200 ( 6.700 3.441 8.500) 11.357 6.666 ( 0.438 1.528 2.685) 3.120 6.896 ( 18.660 10.410 -2.013) 21.462 8.020 ( -0.725 4.385 -4.271) 6.164 9.904 ( 1.968 4.046 -1.774) 4.837 10.474 ( 7.042 4.704 0.364) 8.477 11.133 ( -4.340 2.748 1.430) 5.332 11.420 ( 10.462 -3.672 8.657) 14.067 13.307 ( -1.363 -9.113 1.998) 9.429 14.046 ( -8.095 16.207 -9.716) 20.557 16.679 ( -6.177 -10.306 -2.694) 12.314 ======================= Grid point 1311 (476/670) ======================= q-point: ( 0.68 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( 2.642 1.666 3.933) 5.022 5.417 ( 12.588 2.389 8.384) 15.312 6.702 ( 0.521 2.056 3.410) 4.016 7.404 ( 30.162 8.361 -3.848) 31.535 8.017 ( 1.025 -1.110 -3.330) 3.657 9.983 ( 3.592 3.434 -0.116) 4.971 10.612 ( 6.625 -2.792 1.197) 7.288 11.153 ( 0.173 7.979 0.182) 7.983 11.630 ( 17.248 -4.685 7.113) 19.236 13.198 ( -1.823 -7.681 0.196) 7.897 13.935 ( -17.401 10.393 -9.185) 22.252 16.460 ( -10.958 -3.600 -0.647) 11.552 ======================= Grid point 1312 (477/670) ======================= q-point: (-0.26 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.225 ( 2.882 -0.207 3.587) 4.606 5.712 ( 16.820 1.647 8.396) 18.871 6.742 ( -0.000 2.367 4.145) 4.773 7.767 ( -0.707 4.646 -10.053) 11.097 8.241 ( 37.501 -5.387 2.026) 37.940 10.088 ( 4.991 2.906 1.454) 5.955 10.656 ( 4.736 -5.787 0.306) 7.484 11.233 ( 0.226 3.775 1.958) 4.258 11.975 ( 25.243 -1.534 3.149) 25.485 13.101 ( -3.310 -4.457 0.386) 5.565 13.617 ( -23.979 3.405 -8.104) 25.540 16.245 ( -14.519 3.311 0.285) 14.895 ======================= Grid point 1313 (478/670) ======================= q-point: (-0.21 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.276 ( 3.471 -1.890 1.986) 4.423 6.053 ( 18.878 0.677 8.835) 20.854 6.769 ( -1.020 1.810 4.523) 4.977 7.635 ( -9.755 -0.646 -9.556) 13.671 8.888 ( 42.408 -10.020 0.846) 43.584 10.218 ( 5.781 4.357 2.213) 7.570 10.695 ( 7.497 -5.772 -2.390) 9.759 11.219 ( -2.234 -5.079 3.815) 6.734 12.418 ( 26.084 0.194 0.052) 26.085 12.946 ( -14.498 -3.765 2.450) 15.178 13.244 ( -17.091 3.716 -6.649) 18.711 16.045 ( -15.981 8.372 0.488) 18.048 ======================= Grid point 1329 (479/670) ======================= q-point: ( 0.63 0.63 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.087 ( 0.000 1.083 0.960) 1.447 5.216 ( 0.000 2.547 13.210) 13.453 6.695 ( 0.000 2.631 4.051) 4.830 6.798 ( -0.000 4.917 -2.183) 5.379 8.045 ( -0.000 2.080 -5.797) 6.159 9.923 ( -0.000 3.920 -0.759) 3.993 10.443 ( -0.000 1.706 -1.227) 2.101 11.207 ( 0.000 1.525 1.387) 2.061 11.308 ( 0.000 -4.439 10.557) 11.452 13.225 ( -0.000 -8.454 -1.472) 8.582 14.237 ( -0.000 12.638 -9.422) 15.764 16.652 ( -0.000 -4.027 -0.700) 4.087 ======================= Grid point 1330 (480/670) ======================= q-point: (-0.32 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.127 ( 3.127 -0.037 1.601) 3.514 5.316 ( 5.147 0.323 13.734) 14.670 6.740 ( -0.009 3.862 5.089) 6.389 6.991 ( 20.116 0.775 -2.134) 20.244 8.015 ( -1.858 -0.914 -6.650) 6.965 9.970 ( 1.826 2.555 0.249) 3.151 10.483 ( 5.008 -3.008 -1.232) 5.970 11.217 ( -0.307 4.239 1.594) 4.539 11.380 ( 9.017 -6.006 9.478) 14.395 13.151 ( -0.536 -4.011 -3.213) 5.167 14.202 ( -9.347 2.539 -8.891) 13.148 16.605 ( -5.938 4.617 0.606) 7.546 ======================= Grid point 1331 (481/670) ======================= q-point: (-0.26 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.176 ( 2.852 -2.411 2.665) 4.588 5.495 ( 12.299 -1.842 11.580) 16.992 6.798 ( -0.523 4.641 6.584) 8.072 7.439 ( 33.847 -2.572 -3.219) 34.096 7.925 ( -2.817 -4.427 -6.261) 8.169 10.036 ( 4.037 0.847 0.933) 4.230 10.519 ( 4.930 -6.321 -0.494) 8.031 11.262 ( 0.078 0.772 2.412) 2.534 11.587 ( 18.905 -2.635 6.073) 20.030 13.105 ( -1.403 -0.681 -3.136) 3.502 13.939 ( -16.761 -4.161 -7.527) 18.838 16.540 ( -11.732 11.525 0.841) 16.467 ======================= Grid point 1332 (482/670) ======================= q-point: (-0.21 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.193 ( 3.023 -5.256 1.978) 6.378 5.756 ( 17.660 -3.874 9.817) 20.573 6.844 ( -1.947 3.923 7.554) 8.732 7.732 ( -5.246 0.015 -11.327) 12.482 8.063 ( 40.226 -14.240 1.555) 42.700 10.136 ( 7.215 0.540 0.848) 7.285 10.531 ( 4.670 -7.029 -0.723) 8.469 11.223 ( -2.705 -6.491 3.696) 7.944 11.973 ( 25.597 -0.622 2.454) 25.722 13.045 ( -4.695 -1.960 -0.681) 5.133 13.575 ( -18.762 -0.834 -6.527) 19.882 16.437 ( -16.349 15.378 0.686) 22.455 ======================= Grid point 1349 (483/670) ======================= q-point: (-0.32 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.093 ( 0.000 -1.308 1.080) 1.696 5.316 ( 0.000 -2.791 15.268) 15.521 6.789 ( -0.000 -4.212 -2.380) 4.838 6.809 ( 0.000 5.436 7.549) 9.302 7.992 ( -0.000 -2.518 -7.947) 8.336 9.969 ( 0.000 0.328 0.213) 0.391 10.392 ( -0.000 -5.449 -2.164) 5.862 11.252 ( 0.000 1.506 2.174) 2.644 11.288 ( 0.000 -4.187 10.344) 11.160 13.125 ( -0.000 0.441 -4.997) 5.016 14.228 ( -0.000 -6.988 -8.110) 10.705 16.746 ( -0.000 13.089 0.989) 13.126 ======================= Grid point 1350 (484/670) ======================= q-point: (-0.26 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 2.683 -3.538 1.194) 4.598 5.354 ( 4.905 -6.351 13.576) 15.770 6.873 ( 6.419 0.967 5.459) 8.482 6.913 ( 13.670 -3.735 1.985) 14.310 7.915 ( -2.293 -3.792 -8.477) 9.566 9.979 ( 2.162 -1.886 -0.251) 2.881 10.363 ( 4.663 -8.087 -1.632) 9.477 11.262 ( -0.287 -2.755 4.205) 5.035 11.362 ( 8.946 -0.619 7.360) 11.601 13.120 ( -0.793 2.596 -4.987) 5.678 14.045 ( -7.689 -10.309 -6.648) 14.477 16.847 ( -6.828 18.321 0.549) 19.560 ======================= Grid point 1351 (485/670) ======================= q-point: (-0.21 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 1.957 -8.054 1.536) 8.429 5.472 ( 12.990 -8.057 9.943) 18.235 6.943 ( -1.853 3.073 10.114) 10.732 7.263 ( 34.305 -13.682 -1.619) 36.968 7.799 ( -4.167 -2.761 -7.869) 9.323 10.014 ( 5.446 -2.804 -1.214) 6.245 10.365 ( 5.872 -9.510 -0.758) 11.203 11.206 ( -2.259 -8.108 4.997) 9.789 11.611 ( 18.038 -0.095 4.143) 18.508 13.098 ( -2.993 0.638 -2.260) 3.804 13.781 ( -11.580 -3.843 -5.905) 13.555 16.866 ( -13.391 20.475 0.068) 24.466 ======================= Grid point 1369 (486/670) ======================= q-point: (-0.26 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( 0.000 -4.711 0.855) 4.788 5.274 ( 0.000 -11.483 12.782) 17.183 6.613 ( -0.000 -12.210 -1.904) 12.358 6.977 ( 0.000 3.883 11.008) 11.673 7.868 ( -0.000 -3.732 -8.194) 9.004 9.930 ( -0.000 -3.671 -1.555) 3.987 10.224 ( -0.000 -10.238 -1.699) 10.378 11.272 ( 0.000 -5.801 10.569) 12.056 11.281 ( 0.000 0.164 1.664) 1.672 13.142 ( -0.000 3.125 -4.679) 5.626 13.987 ( -0.000 -8.998 -5.604) 10.601 17.103 ( -0.000 21.820 -0.359) 21.822 ======================= Grid point 1370 (487/670) ======================= q-point: (-0.21 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.991 ( 0.152 -9.540 1.102) 9.604 5.235 ( 6.942 -13.651 9.563) 18.055 6.648 ( 20.021 -16.079 -1.011) 25.698 7.014 ( -1.248 -1.862 9.576) 9.835 7.805 ( -1.618 -0.897 -5.769) 6.058 9.902 ( 2.693 -4.954 -2.972) 6.374 10.159 ( 5.077 -11.940 -0.981) 13.011 11.187 ( -3.174 -8.944 6.681) 11.606 11.386 ( 9.946 -1.804 3.868) 10.823 13.141 ( -1.618 1.413 -1.157) 2.440 13.875 ( -4.954 -0.049 -5.704) 7.555 17.254 ( -7.540 22.806 -1.194) 24.050 ======================= Grid point 1389 (488/670) ======================= q-point: (-0.21 -0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.908 ( 0.000 -10.231 0.318) 10.236 5.029 ( 0.000 -21.134 8.670) 22.843 6.311 ( 0.000 -17.555 -0.840) 17.575 6.996 ( 0.000 -9.805 6.037) 11.514 7.811 ( -0.000 2.092 -1.033) 2.333 9.800 ( -0.000 -9.430 -4.505) 10.451 9.991 ( 0.000 -12.795 -0.527) 12.805 11.154 ( 0.000 -12.542 9.187) 15.547 11.281 ( 0.000 -0.802 0.614) 1.010 13.174 ( 0.000 2.555 2.580) 3.631 13.929 ( -0.000 7.361 -6.317) 9.700 17.535 ( -0.000 23.150 -2.517) 23.287 ======================= Grid point 1530 (489/670) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -0.000 33.692) 33.692 1.421 ( 0.000 -0.000 33.692) 33.692 2.666 ( 0.000 -0.000 64.670) 64.670 4.803 ( -0.000 0.000 -8.829) 8.829 4.803 ( -0.000 0.000 -8.829) 8.829 8.847 ( -0.000 0.000 -0.418) 0.418 8.847 ( -0.000 0.000 -0.418) 0.418 9.764 ( -0.000 0.000 -27.385) 27.385 11.492 ( 0.000 -0.000 0.367) 0.367 11.492 ( 0.000 -0.000 0.367) 0.367 15.992 ( 0.000 -0.000 7.241) 7.241 18.368 ( -0.000 0.000 -1.302) 1.302 ======================= Grid point 1531 (490/670) ======================= q-point: ( 0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 22.313 12.883 28.041) 38.081 2.025 ( 35.825 20.684 28.262) 50.100 3.057 ( 19.562 11.294 54.372) 58.877 4.785 ( 1.731 0.999 -9.743) 9.946 4.925 ( 12.732 7.351 -8.928) 17.201 8.254 ( -17.547 -10.131 -2.303) 20.393 8.904 ( 3.747 2.164 -0.180) 4.331 11.177 ( 61.625 35.579 -42.265) 82.764 11.462 ( -2.196 -1.268 0.289) 2.552 11.620 ( 24.219 13.983 -16.180) 32.309 16.041 ( 1.600 0.924 7.539) 7.762 18.322 ( -3.992 -2.305 -7.130) 8.490 ======================= Grid point 1532 (491/670) ======================= q-point: ( 0.32 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 29.767 17.186 21.400) 40.489 2.766 ( 20.779 11.997 33.309) 41.051 3.981 ( 48.051 27.742 30.465) 63.298 4.817 ( 4.112 2.374 -10.624) 11.637 5.305 ( 24.098 13.913 -9.341) 29.352 8.016 ( -5.068 -2.926 -7.689) 9.663 9.012 ( 5.943 3.431 -0.018) 6.863 11.400 ( -3.344 -1.930 0.220) 3.867 11.496 ( 1.924 1.111 -2.016) 3.000 12.552 ( 41.352 23.875 -49.269) 68.611 16.080 ( -1.554 -0.897 11.663) 11.801 18.131 ( -9.326 -5.384 -17.072) 20.184 ======================= Grid point 1533 (492/670) ======================= q-point: ( 0.37 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 31.273 18.056 17.067) 39.941 3.283 ( 18.599 10.738 26.885) 34.409 4.901 ( 6.718 3.879 -11.482) 13.857 5.135 ( 42.800 24.711 21.236) 53.791 5.965 ( 39.298 22.689 -11.514) 46.816 7.933 ( 0.097 0.056 -8.375) 8.375 9.169 ( 8.082 4.666 0.127) 9.333 11.321 ( -3.602 -2.080 0.122) 4.161 11.472 ( -3.036 -1.753 -2.864) 4.526 13.040 ( 16.499 9.526 -31.256) 36.605 16.028 ( -8.169 -4.717 20.344) 22.424 17.819 ( -11.670 -6.737 -25.677) 28.998 ======================= Grid point 1534 (493/670) ======================= q-point: ( 0.42 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 21.177 12.226 16.755) 29.642 3.981 ( 27.697 15.991 14.353) 35.054 5.052 ( 10.759 6.212 -11.955) 17.242 5.951 ( 27.259 15.738 14.814) 34.788 6.875 ( 38.770 22.384 -16.017) 47.546 8.027 ( 13.274 7.664 -1.541) 15.405 9.371 ( 9.994 5.770 0.351) 11.546 11.247 ( -2.887 -1.667 -0.066) 3.334 11.367 ( -4.600 -2.656 -3.011) 6.106 13.156 ( 2.605 1.504 -20.392) 20.613 15.820 ( -17.892 -10.330 25.663) 32.945 17.488 ( -9.340 -5.393 -27.429) 29.473 ======================= Grid point 1535 (494/670) ======================= q-point: ( 0.47 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 22.332 12.893 7.609) 26.886 4.535 ( 17.536 10.124 9.986) 22.577 5.335 ( 18.225 10.522 -9.251) 22.988 6.514 ( 19.861 11.467 11.075) 25.468 7.330 ( 10.397 6.003 -21.715) 24.812 8.612 ( 33.351 19.255 5.631) 38.920 9.612 ( 11.297 6.522 0.725) 13.065 11.197 ( -1.468 -0.848 -0.410) 1.744 11.308 ( 1.637 0.945 -1.274) 2.279 13.070 ( -4.111 -2.374 -15.064) 15.794 15.385 ( -27.495 -15.874 20.237) 37.650 17.248 ( -5.701 -3.291 -18.663) 19.790 ======================= Grid point 1536 (495/670) ======================= q-point: ( 0.53 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.826 ( 21.353 12.328 -0.295) 24.658 4.837 ( 8.733 5.042 3.549) 10.690 5.775 ( 21.583 12.461 -3.336) 25.144 6.881 ( 9.748 5.628 3.176) 11.696 7.421 ( 6.091 3.516 -12.874) 14.669 9.264 ( 21.005 12.127 3.583) 24.518 9.871 ( 11.445 6.608 1.232) 13.273 11.180 ( 0.115 0.066 -0.927) 0.937 11.488 ( 14.360 8.291 -0.751) 16.599 12.935 ( -2.622 -1.514 -9.283) 9.764 14.764 ( -31.719 -18.313 11.121) 38.277 17.088 ( -5.437 -3.139 -8.133) 10.274 ======================= Grid point 1537 (496/670) ======================= q-point: ( 0.58 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( 5.171 2.985 0.301) 5.978 5.261 ( 18.598 10.737 -7.640) 22.793 6.216 ( 17.683 10.209 0.132) 20.419 6.954 ( -0.845 -0.488 -8.547) 8.602 7.570 ( 7.734 4.465 2.467) 9.264 9.590 ( 9.518 5.495 1.885) 11.151 10.116 ( 9.826 5.673 1.763) 11.483 11.194 ( 1.342 0.775 -1.540) 2.185 11.796 ( 10.045 5.799 -7.900) 14.033 13.006 ( 12.117 6.996 3.119) 14.335 14.092 ( -29.888 -17.256 4.628) 34.821 16.932 ( -7.195 -4.154 -2.222) 8.600 ======================= Grid point 1538 (497/670) ======================= q-point: ( 0.63 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.081 ( 3.040 1.755 -0.891) 3.621 5.589 ( 13.577 7.839 -15.082) 21.755 6.544 ( 11.184 6.457 1.854) 13.046 6.872 ( -2.491 -1.438 -8.341) 8.823 7.726 ( 4.106 2.371 8.211) 9.482 9.773 ( 7.243 4.182 0.628) 8.388 10.304 ( 6.095 3.519 2.124) 7.352 11.226 ( 1.980 1.143 -2.034) 3.060 11.833 ( -1.642 -0.948 -13.950) 14.078 13.383 ( 0.473 0.273 20.565) 20.572 13.570 ( -1.846 -1.066 -5.798) 6.178 16.760 ( -7.316 -4.224 -0.390) 8.456 ======================= Grid point 1539 (498/670) ======================= q-point: ( 0.68 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.123 ( 1.030 0.595 -1.266) 1.737 5.738 ( 4.416 2.550 -20.448) 21.075 6.721 ( 3.973 2.294 2.670) 5.308 6.847 ( 3.075 1.775 -5.240) 6.330 7.799 ( -0.173 -0.100 10.288) 10.290 9.915 ( 4.952 2.859 -0.159) 5.721 10.390 ( 0.820 0.473 2.093) 2.297 11.264 ( 1.910 1.103 -2.128) 3.065 11.702 ( -4.968 -2.868 -15.289) 16.330 13.097 ( -11.652 -6.727 8.469) 15.898 13.926 ( 12.809 7.395 9.105) 17.369 16.648 ( -1.302 -0.751 -0.300) 1.533 ======================= Grid point 1540 (499/670) ======================= q-point: (-0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.117 ( -1.273 -0.735 -1.273) 1.944 5.657 ( -5.296 -3.058 -18.964) 19.926 6.737 ( -3.319 -1.916 2.759) 4.722 6.966 ( 8.247 4.762 -7.920) 12.386 7.797 ( -2.851 -1.646 11.828) 12.278 9.967 ( -0.503 -0.291 0.402) 0.706 10.354 ( -4.473 -2.583 1.672) 5.429 11.291 ( 1.014 0.586 -1.773) 2.125 11.543 ( -4.439 -2.563 -15.415) 16.245 13.001 ( -0.051 -0.029 7.885) 7.885 14.060 ( -3.119 -1.801 8.522) 9.252 16.749 ( 10.515 6.071 0.735) 12.164 ======================= Grid point 1541 (500/670) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.053 ( -4.289 -2.476 -1.004) 5.053 5.405 ( -12.154 -7.017 -14.016) 19.834 6.593 ( -10.139 -5.854 2.144) 11.902 7.084 ( 3.247 1.875 -10.901) 11.527 7.778 ( -1.276 -0.737 10.308) 10.412 9.911 ( -4.204 -2.427 2.302) 5.372 10.210 ( -8.565 -4.945 1.103) 9.951 11.295 ( -0.168 -0.097 -1.206) 1.222 11.390 ( -6.095 -3.519 -13.655) 15.362 13.091 ( 4.551 2.627 5.747) 7.787 13.933 ( -6.950 -4.013 5.323) 9.630 17.089 ( 18.375 10.609 2.420) 21.355 ======================= Grid point 1550 (501/670) ======================= q-point: ( 0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 19.408 28.216) 34.246 2.215 ( 0.000 42.129 29.347) 51.343 3.249 ( 0.000 21.995 52.868) 57.261 4.785 ( -0.000 3.503 -9.562) 10.183 4.859 ( -0.000 12.602 -10.124) 16.165 8.257 ( 0.000 -22.235 -2.695) 22.397 8.839 ( -0.000 1.281 -0.379) 1.336 11.058 ( -0.000 81.315 -45.474) 93.167 11.487 ( 0.000 -1.353 0.355) 1.399 11.546 ( -0.000 12.110 -7.604) 14.300 16.065 ( 0.000 1.800 7.501) 7.714 18.321 ( -0.000 -3.058 -6.777) 7.435 ======================= Grid point 1551 (502/670) ======================= q-point: ( 0.32 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 22.920 22.973 22.715) 39.611 2.784 ( 10.744 26.148 33.906) 44.144 3.859 ( 20.583 41.865 34.793) 58.197 4.789 ( 0.357 5.671 -10.530) 11.965 5.102 ( 14.147 17.604 -10.010) 24.703 8.028 ( -4.615 -7.956 -7.008) 11.563 8.927 ( 6.591 2.147 -0.153) 6.933 11.432 ( -1.894 -0.934 -0.491) 2.169 11.466 ( 2.046 3.119 -2.394) 4.433 12.088 ( 30.323 47.779 -47.958) 74.177 16.108 ( 0.459 -0.613 9.573) 9.603 18.189 ( -7.569 -4.638 -13.390) 16.066 ======================= Grid point 1552 (503/670) ======================= q-point: ( 0.37 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 26.879 25.056 18.041) 40.936 3.256 ( 10.847 15.305 31.504) 36.666 4.832 ( 10.285 14.997 -1.530) 18.249 4.879 ( 26.261 34.859 12.997) 45.538 5.605 ( 26.926 24.840 -11.716) 38.462 7.911 ( -1.181 -1.219 -8.907) 9.067 9.080 ( 7.906 4.540 -0.062) 9.117 11.362 ( -3.509 -2.168 0.014) 4.125 11.471 ( -0.715 -2.747 -2.327) 3.671 12.730 ( 21.994 20.163 -34.703) 45.767 16.111 ( -1.896 -5.969 16.234) 17.400 17.905 ( -13.311 -4.802 -21.778) 25.972 ======================= Grid point 1553 (504/670) ======================= q-point: ( 0.42 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 14.482 14.477 21.500) 29.691 3.788 ( 25.146 24.788 15.773) 38.672 4.962 ( 5.771 10.699 -12.260) 17.265 5.744 ( 25.009 23.266 16.252) 37.827 6.429 ( 38.499 32.509 -13.857) 52.259 7.933 ( 5.833 6.601 -5.293) 10.277 9.278 ( 8.992 7.117 0.076) 11.468 11.277 ( -3.573 -3.156 -0.436) 4.787 11.392 ( -2.986 -3.653 -2.885) 5.530 13.009 ( 9.311 4.462 -22.262) 24.540 16.006 ( -8.535 -13.327 24.156) 28.879 17.550 ( -13.579 -2.970 -27.296) 30.631 ======================= Grid point 1554 (505/670) ======================= q-point: ( 0.47 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 17.426 14.182 12.256) 25.593 4.423 ( 17.823 19.459 12.430) 29.169 5.191 ( 11.615 17.086 -11.468) 23.630 6.343 ( 20.204 15.288 11.776) 27.939 7.111 ( 18.177 13.641 -21.089) 31.004 8.335 ( 26.025 23.588 4.449) 35.404 9.517 ( 9.837 9.418 0.397) 13.625 11.181 ( -1.750 -5.752 -1.018) 6.097 11.326 ( -1.623 1.250 -1.797) 2.725 13.024 ( 0.387 -2.949 -15.965) 16.240 15.687 ( -20.067 -19.850 22.724) 36.236 17.264 ( -7.931 -1.540 -22.154) 23.581 ======================= Grid point 1555 (506/670) ======================= q-point: ( 0.53 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.606 ( 18.145 11.998 4.201) 22.155 4.809 ( 7.957 12.759 4.905) 15.817 5.617 ( 17.275 23.725 -5.131) 29.793 6.777 ( 12.769 8.813 5.957) 16.619 7.304 ( 7.479 6.051 -16.848) 19.401 9.059 ( 24.640 22.358 5.024) 33.649 9.785 ( 9.896 11.182 0.881) 14.959 11.135 ( 2.653 -4.467 -0.823) 5.261 11.385 ( 6.032 7.239 -1.404) 9.527 12.913 ( -2.144 -4.592 -11.454) 12.525 15.125 ( -28.830 -21.636 13.456) 38.475 17.096 ( -3.935 -3.740 -10.405) 11.736 ======================= Grid point 1556 (507/670) ======================= q-point: ( 0.58 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.943 ( 8.155 6.158 0.372) 10.225 5.084 ( 12.581 13.973 -3.429) 19.112 6.116 ( 14.579 23.486 -0.388) 27.646 6.932 ( 1.242 1.685 -7.462) 7.750 7.487 ( 9.412 7.910 -0.799) 12.321 9.518 ( 9.961 11.842 3.186) 15.799 10.058 ( 8.529 12.118 1.432) 14.888 11.150 ( 2.808 -2.409 -1.568) 4.018 11.653 ( 13.147 10.037 -4.854) 17.238 12.877 ( 6.862 -0.030 -3.195) 7.570 14.445 ( -30.976 -19.938 6.579) 37.421 16.960 ( -4.066 -7.258 -2.639) 8.728 ======================= Grid point 1557 (508/670) ======================= q-point: ( 0.63 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( 2.364 5.619 -0.849) 6.155 5.409 ( 12.977 10.941 -11.314) 20.399 6.521 ( 8.139 19.193 2.079) 20.951 6.890 ( -2.683 1.841 -9.901) 10.422 7.702 ( 5.994 5.755 6.404) 10.491 9.725 ( 5.154 7.165 1.657) 8.980 10.297 ( 4.981 11.949 1.917) 13.087 11.167 ( 3.033 -2.638 -2.371) 4.667 11.826 ( 0.853 5.466 -11.894) 13.117 13.190 ( 23.643 6.799 7.879) 25.832 13.792 ( -27.075 -15.934 3.399) 31.600 16.797 ( -5.046 -9.446 0.160) 10.711 ======================= Grid point 1558 (509/670) ======================= q-point: ( 0.68 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( -0.021 4.777 -1.355) 4.966 5.622 ( 6.987 7.059 -17.902) 20.472 6.738 ( 2.464 6.304 0.650) 6.799 6.889 ( -2.448 13.698 -3.931) 14.460 7.824 ( 1.329 1.913 8.710) 9.016 9.873 ( 4.764 5.734 0.221) 7.458 10.446 ( -0.825 9.284 1.935) 9.519 11.194 ( 4.448 -2.490 -2.549) 5.699 11.765 ( -7.033 3.842 -13.673) 15.848 13.292 ( -17.970 -9.773 6.566) 21.484 13.704 ( 23.326 4.050 8.891) 25.289 16.637 ( -2.496 -8.289 0.124) 8.657 ======================= Grid point 1559 (510/670) ======================= q-point: (-0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.156 ( -2.192 3.309 -1.429) 4.219 5.647 ( -1.967 2.232 -19.296) 19.524 6.835 ( 5.095 4.748 -3.137) 7.638 6.957 ( -7.910 15.670 0.150) 17.554 7.849 ( -1.598 -1.809 10.101) 10.386 9.975 ( 1.387 3.452 -0.304) 3.732 10.456 ( -6.011 4.095 1.427) 7.412 11.252 ( 3.981 0.434 -1.827) 4.402 11.609 ( -9.259 2.892 -13.703) 16.789 13.059 ( -5.526 -2.450 6.536) 8.903 14.012 ( 8.808 -5.155 9.764) 14.124 16.613 ( 7.495 -2.641 -0.115) 7.948 ======================= Grid point 1560 (511/670) ======================= q-point: (-0.21 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.116 ( -4.656 0.726 -1.273) 4.881 5.495 ( -9.419 -0.979 -15.287) 17.982 6.875 ( -16.351 13.884 1.983) 21.542 6.985 ( 5.877 3.037 -9.595) 11.655 7.822 ( -1.964 -3.494 10.634) 11.364 9.973 ( -3.604 0.610 0.826) 3.748 10.349 ( -9.553 0.511 1.104) 9.630 11.291 ( -0.261 -0.039 -1.998) 2.015 11.458 ( -7.011 4.305 -11.987) 14.538 13.067 ( 2.807 1.455 6.082) 6.855 13.979 ( -3.749 -10.905 6.854) 13.414 16.846 ( 18.839 3.059 0.887) 19.106 ======================= Grid point 1570 (512/670) ======================= q-point: ( 0.32 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.000 30.555 21.531) 37.379 3.067 ( 0.000 22.491 36.542) 42.908 4.261 ( 0.000 53.651 27.464) 60.272 4.813 ( -0.000 6.023 -10.284) 11.918 5.145 ( -0.000 24.008 -11.471) 26.608 7.963 ( -0.000 -6.896 -7.616) 10.274 8.897 ( -0.000 4.875 0.281) 4.883 11.447 ( 0.000 -2.868 0.090) 2.870 11.450 ( -0.000 0.062 -1.779) 1.780 12.180 ( -0.000 47.321 -42.436) 63.561 16.122 ( 0.000 -2.996 10.767) 11.176 18.164 ( -0.000 -4.886 -16.243) 16.962 ======================= Grid point 1571 (513/670) ======================= q-point: ( 0.37 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 17.934 31.243 18.227) 40.373 3.402 ( 3.731 16.514 33.527) 37.559 4.854 ( 1.419 8.649 -10.397) 13.599 5.000 ( 14.329 50.783 21.001) 56.792 5.485 ( 14.160 31.735 -13.867) 37.416 7.888 ( -0.587 -0.657 -8.389) 8.435 9.010 ( 5.978 6.409 0.543) 8.781 11.388 ( -2.483 -3.097 -0.584) 4.012 11.434 ( 0.245 -4.154 -1.789) 4.530 12.553 ( 12.352 26.588 -31.368) 42.935 16.108 ( -0.375 -8.507 15.173) 17.399 17.985 ( -8.612 -4.046 -21.770) 23.758 ======================= Grid point 1572 (514/670) ======================= q-point: ( 0.42 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( 19.945 27.094 15.637) 37.100 3.750 ( 10.172 18.260 25.040) 32.617 4.961 ( 3.947 12.458 -11.917) 17.686 5.692 ( 16.151 26.609 14.621) 34.390 6.185 ( 27.601 43.474 -13.204) 53.161 7.912 ( 3.362 8.654 -5.814) 10.954 9.207 ( 8.482 8.625 0.586) 12.111 11.294 ( -3.612 -5.869 -1.615) 7.079 11.380 ( -0.797 -3.441 -1.646) 3.897 12.831 ( 9.869 8.667 -20.866) 24.655 16.027 ( -2.927 -16.145 21.416) 26.980 17.681 ( -13.962 -1.795 -26.264) 29.799 ======================= Grid point 1573 (515/670) ======================= q-point: ( 0.47 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 11.159 15.396 15.133) 24.302 4.377 ( 18.715 24.365 14.094) 33.802 5.173 ( 8.553 20.253 -12.024) 25.058 6.222 ( 17.445 17.856 10.171) 26.956 6.897 ( 19.365 23.220 -18.012) 35.194 8.229 ( 17.272 26.964 2.307) 32.104 9.458 ( 9.614 11.427 0.751) 14.952 11.151 ( -3.540 -8.809 -1.823) 9.667 11.350 ( -0.424 0.773 -1.358) 1.619 12.913 ( 3.453 -1.750 -14.926) 15.420 15.805 ( -10.387 -23.454 23.013) 34.462 17.356 ( -12.803 -0.123 -24.322) 27.486 ======================= Grid point 1574 (516/670) ======================= q-point: ( 0.53 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( 13.399 13.571 7.334) 20.433 4.831 ( 8.845 15.660 6.711) 19.197 5.594 ( 15.309 30.082 -5.922) 34.269 6.666 ( 14.276 11.243 5.693) 19.042 7.191 ( 8.509 10.410 -17.033) 21.700 8.926 ( 23.968 32.063 5.335) 40.385 9.748 ( 9.845 14.119 1.141) 17.251 11.031 ( 0.927 -8.455 -1.268) 8.599 11.385 ( 2.124 5.646 -1.551) 6.228 12.847 ( -0.651 -5.691 -11.490) 12.838 15.366 ( -20.823 -25.678 15.964) 36.712 17.112 ( -7.460 -2.922 -14.173) 16.281 ======================= Grid point 1575 (517/670) ======================= q-point: ( 0.58 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( 12.277 9.863 0.840) 15.771 5.088 ( 5.329 14.443 0.350) 15.399 6.142 ( 14.353 30.271 0.303) 33.503 6.893 ( 4.271 4.374 -7.298) 9.521 7.415 ( 10.007 12.546 -2.981) 16.323 9.511 ( 11.182 20.896 4.258) 24.080 10.057 ( 8.889 16.068 1.605) 18.433 11.025 ( 6.369 -6.037 -1.900) 8.979 11.550 ( 9.325 10.948 -2.608) 14.616 12.763 ( 2.213 -4.346 -6.776) 8.349 14.756 ( -27.296 -23.176 8.161) 36.726 16.934 ( -4.308 -8.533 -4.610) 10.612 ======================= Grid point 1576 (518/670) ======================= q-point: ( 0.63 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.065 ( 6.203 6.771 -2.144) 9.430 5.328 ( 7.472 14.631 -5.622) 17.364 6.599 ( 7.986 20.064 3.752) 21.919 6.933 ( 0.011 9.620 -11.563) 15.042 7.694 ( 7.047 12.338 4.280) 14.839 9.761 ( 1.694 11.396 2.666) 11.825 10.356 ( 6.407 17.270 2.104) 18.540 11.059 ( 4.485 -5.455 -3.258) 7.777 11.812 ( 6.920 11.133 -7.596) 15.150 12.884 ( 17.451 0.527 1.780) 17.550 14.104 ( -27.766 -18.740 4.519) 33.802 16.758 ( -3.693 -12.905 -0.036) 13.423 ======================= Grid point 1577 (519/670) ======================= q-point: ( 0.68 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.180 ( 1.628 5.890 -2.604) 6.642 5.551 ( 6.008 12.317 -12.288) 18.407 6.747 ( 0.552 1.870 -1.825) 2.670 7.111 ( 0.650 25.078 -1.067) 25.109 7.881 ( 0.122 9.885 5.792) 11.458 9.881 ( 1.902 8.008 0.827) 8.272 10.587 ( -0.097 15.612 1.675) 15.702 11.066 ( 5.200 -4.855 -3.001) 7.721 11.894 ( -4.520 9.687 -10.838) 15.223 13.311 ( 27.043 -0.165 4.993) 27.501 13.541 ( -21.528 -12.784 6.603) 25.894 16.572 ( -2.456 -13.945 0.775) 14.181 ======================= Grid point 1578 (520/670) ======================= q-point: ( 0.74 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.223 ( -1.350 4.414 -2.568) 5.282 5.661 ( -0.354 9.580 -16.034) 18.681 6.776 ( 3.066 1.942 -3.451) 5.008 7.323 ( -5.836 24.938 4.093) 25.936 7.925 ( -5.478 5.017 5.945) 9.515 9.989 ( 2.155 6.260 -0.629) 6.650 10.625 ( -7.373 6.289 -0.231) 9.694 11.162 ( 7.493 2.338 -0.687) 7.880 11.808 ( -11.663 9.146 -10.850) 18.369 13.175 ( -10.868 -5.608 3.287) 12.663 13.732 ( 20.272 -8.062 10.349) 24.147 16.454 ( 3.915 -10.418 0.045) 11.129 ======================= Grid point 1579 (521/670) ======================= q-point: (-0.21 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.200 ( -4.195 1.646 -2.276) 5.048 5.622 ( -7.905 7.687 -14.363) 18.108 6.865 ( 6.239 2.534 -7.137) 9.812 7.400 ( -16.762 25.872 4.645) 31.175 7.859 ( -5.091 -2.434 7.108) 9.076 10.044 ( -1.827 4.054 -0.629) 4.491 10.518 ( -8.727 1.467 -0.221) 8.852 11.280 ( 2.061 1.539 -1.195) 2.837 11.660 ( -12.143 12.003 -8.900) 19.255 13.070 ( -0.799 -0.700 4.192) 4.324 13.862 ( 5.919 -15.575 8.056) 18.508 16.545 ( 15.860 -4.448 -0.096) 16.473 ======================= Grid point 1590 (522/670) ======================= q-point: ( 0.37 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 0.000 34.244 17.343) 38.385 3.634 ( 0.000 15.300 30.832) 34.420 4.884 ( -0.000 8.612 -11.054) 14.013 5.407 ( 0.000 36.652 17.913) 40.795 5.701 ( -0.000 50.535 -14.943) 52.698 7.878 ( -0.000 4.250 -7.386) 8.522 9.034 ( 0.000 8.782 1.260) 8.872 11.366 ( -0.000 -6.625 -2.425) 7.055 11.382 ( 0.000 -3.565 -0.380) 3.585 12.604 ( -0.000 20.807 -23.789) 31.605 16.058 ( 0.000 -13.555 16.942) 21.697 17.950 ( -0.000 -2.898 -24.437) 24.608 ======================= Grid point 1591 (523/670) ======================= q-point: ( 0.42 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( 14.095 32.294 15.375) 38.445 3.892 ( 2.950 15.289 24.365) 28.916 4.973 ( 3.858 11.800 -11.688) 17.051 5.786 ( 6.924 24.198 8.632) 26.608 6.286 ( 11.228 50.278 -10.209) 52.519 7.959 ( 2.283 15.466 -4.445) 16.253 9.181 ( 5.544 10.596 1.514) 12.054 11.266 ( -2.212 -8.595 -2.146) 9.131 11.349 ( 0.304 -3.009 -0.762) 3.118 12.736 ( 4.622 9.478 -16.409) 19.505 15.950 ( -0.991 -20.161 19.933) 28.368 17.775 ( -8.354 -1.125 -26.441) 27.752 ======================= Grid point 1592 (524/670) ======================= q-point: ( 0.47 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 5.897 15.765 14.951) 22.513 4.355 ( 17.751 25.170 14.983) 34.251 5.187 ( 9.019 20.121 -11.826) 25.021 6.177 ( 11.851 18.505 7.040) 23.075 6.835 ( 11.344 28.297 -14.368) 33.703 8.290 ( 10.958 33.288 1.180) 35.065 9.422 ( 8.892 12.853 1.547) 15.705 11.117 ( -3.899 -9.942 -1.428) 10.774 11.341 ( 1.303 -0.307 -1.045) 1.698 12.803 ( 2.957 0.044 -11.843) 12.207 15.751 ( -4.241 -26.527 20.928) 34.053 17.501 ( -12.994 -0.044 -24.686) 27.897 ======================= Grid point 1593 (525/670) ======================= q-point: ( 0.53 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.463 ( 8.520 13.974 8.450) 18.419 4.838 ( 11.420 15.547 8.035) 20.897 5.619 ( 15.704 31.642 -6.312) 35.884 6.558 ( 13.168 11.437 3.871) 17.866 7.132 ( 7.088 15.755 -13.872) 22.156 8.926 ( 18.833 39.017 3.879) 43.498 9.728 ( 10.406 15.489 1.713) 18.738 10.953 ( -2.981 -10.024 -0.697) 10.481 11.388 ( 2.903 4.059 -1.441) 5.194 12.765 ( -0.106 -4.734 -9.419) 10.542 15.417 ( -11.012 -29.504 16.830) 35.707 17.205 ( -12.356 -2.153 -17.529) 21.553 ======================= Grid point 1594 (526/670) ======================= q-point: ( 0.58 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( 9.601 11.168 2.578) 14.951 5.133 ( 6.781 13.488 1.797) 15.203 6.197 ( 15.294 31.083 1.313) 34.667 6.820 ( 8.073 6.504 -7.123) 12.578 7.385 ( 9.252 17.080 -3.778) 19.789 9.569 ( 13.310 29.925 3.906) 32.984 10.069 ( 10.199 17.659 1.983) 20.489 10.852 ( 3.249 -8.927 -1.084) 9.562 11.520 ( 6.158 9.579 -1.988) 11.560 12.678 ( -0.269 -4.984 -6.966) 8.570 14.931 ( -18.731 -27.476 9.849) 34.681 16.939 ( -8.856 -7.831 -8.277) 14.431 ======================= Grid point 1595 (527/670) ======================= q-point: ( 0.63 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.001 ( 8.127 7.893 -1.808) 11.473 5.367 ( 5.268 14.868 -1.841) 15.880 6.639 ( 7.593 12.584 5.478) 15.685 6.982 ( 5.658 17.008 -12.125) 21.640 7.732 ( 9.360 20.612 2.396) 22.765 9.907 ( -0.769 17.422 3.185) 17.727 10.411 ( 8.906 18.650 2.408) 20.807 10.880 ( 8.170 -7.060 -3.003) 11.208 11.767 ( 9.946 13.598 -3.643) 17.237 12.665 ( 6.889 -2.790 -2.412) 7.814 14.355 ( -23.227 -22.444 4.867) 32.664 16.697 ( -5.817 -13.765 -1.853) 15.058 ======================= Grid point 1596 (528/670) ======================= q-point: ( 0.68 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.165 ( 4.947 5.536 -3.903) 8.388 5.581 ( 3.934 15.537 -5.862) 17.065 6.745 ( 0.725 0.889 -1.277) 1.716 7.266 ( 6.352 19.253 -0.187) 20.275 8.064 ( 1.601 25.479 2.297) 25.633 9.989 ( -3.972 10.672 1.459) 11.480 10.729 ( 4.967 19.097 2.316) 19.868 10.910 ( 5.256 -6.960 -3.683) 9.467 12.004 ( 2.430 14.164 -7.086) 16.023 12.880 ( 21.647 -3.697 3.171) 22.189 13.792 ( -22.292 -16.235 3.707) 27.825 16.468 ( -3.383 -16.886 0.656) 17.234 ======================= Grid point 1597 (529/670) ======================= q-point: ( 0.74 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.250 ( 1.490 3.809 -4.284) 5.924 5.744 ( 0.281 15.296 -9.820) 18.179 6.751 ( 0.622 1.060 -2.765) 3.025 7.512 ( 4.706 9.886 7.182) 13.094 8.259 ( -10.982 29.219 0.485) 31.219 10.037 ( -0.721 7.838 -0.464) 7.885 10.790 ( -6.440 1.806 -2.670) 7.202 11.062 ( 9.326 8.345 1.321) 12.584 12.070 ( -7.988 15.120 -7.545) 18.691 13.214 ( 15.725 -9.823 -1.363) 18.591 13.393 ( -5.158 -10.299 10.948) 15.892 16.285 ( 1.078 -15.682 0.600) 15.731 ======================= Grid point 1598 (530/670) ======================= q-point: (-0.21 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.261 ( -2.075 1.931 -3.601) 4.583 5.809 ( -5.945 14.669 -11.319) 19.459 6.784 ( 3.315 1.435 -4.489) 5.762 7.662 ( 3.377 1.390 11.275) 11.852 8.257 ( -23.197 30.016 -1.228) 37.955 10.103 ( 0.159 6.306 -1.585) 6.504 10.664 ( -8.093 0.330 -1.315) 8.206 11.246 ( 4.011 3.397 -0.598) 5.290 12.015 ( -13.900 18.480 -5.100) 23.680 13.102 ( -4.307 -4.074 0.375) 5.941 13.533 ( 16.342 -18.219 9.029) 26.087 16.247 ( 10.581 -10.781 -0.124) 15.106 ======================= Grid point 1610 (531/670) ======================= q-point: ( 0.42 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( 0.000 31.512 14.949) 34.878 4.086 ( 0.000 14.765 19.577) 24.521 5.013 ( -0.000 13.043 -11.644) 17.484 5.979 ( 0.000 22.543 5.122) 23.117 6.621 ( -0.000 40.455 -9.948) 41.660 8.133 ( -0.000 28.264 -1.826) 28.322 9.250 ( 0.000 12.281 2.128) 12.464 11.194 ( 0.000 -8.929 -1.045) 8.990 11.310 ( -0.000 -3.340 -0.943) 3.471 12.734 ( -0.000 5.791 -11.492) 12.868 15.804 ( 0.000 -24.996 19.316) 31.590 17.752 ( -0.000 -0.620 -26.269) 26.277 ======================= Grid point 1611 (532/670) ======================= q-point: ( 0.47 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( 1.980 15.270 12.812) 20.031 4.392 ( 10.899 23.646 13.908) 29.518 5.191 ( 8.044 19.863 -11.033) 24.104 6.235 ( 4.826 17.739 4.646) 18.962 6.939 ( 3.535 25.415 -11.504) 28.120 8.511 ( 5.623 40.303 0.524) 40.697 9.432 ( 5.699 13.854 2.263) 15.150 11.084 ( -3.097 -8.370 0.420) 8.935 11.297 ( 2.191 -1.758 -1.034) 2.993 12.745 ( 0.729 0.880 -8.143) 8.223 15.590 ( -1.555 -29.431 18.100) 34.586 17.596 ( -7.685 -0.859 -23.891) 25.111 ======================= Grid point 1612 (533/670) ======================= q-point: ( 0.53 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.515 ( 4.399 13.426 7.635) 16.059 4.808 ( 11.732 13.870 8.097) 19.889 5.622 ( 17.247 30.596 -6.473) 35.714 6.493 ( 7.971 10.171 2.990) 13.263 7.170 ( 3.958 18.776 -9.975) 21.627 9.064 ( 12.080 40.330 1.072) 42.114 9.714 ( 9.785 15.779 2.233) 18.701 10.939 ( -5.298 -7.338 1.417) 9.161 11.352 ( 4.634 2.315 -0.943) 5.265 12.713 ( -1.017 -2.028 -6.362) 6.754 15.297 ( -4.702 -31.937 14.932) 35.568 17.338 ( -12.336 -2.835 -18.625) 22.519 ======================= Grid point 1613 (534/670) ======================= q-point: ( 0.58 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( 6.277 11.148 3.286) 13.209 5.119 ( 9.898 10.977 2.826) 15.049 6.230 ( 17.354 31.059 0.558) 35.582 6.709 ( 9.487 6.093 -4.378) 12.096 7.410 ( 6.937 18.816 -3.937) 20.437 9.643 ( 14.296 30.384 0.802) 33.589 10.065 ( 11.559 17.691 2.244) 21.252 10.788 ( -4.920 -6.219 1.554) 8.081 11.494 ( 6.897 8.093 -1.169) 10.697 12.643 ( -2.339 -1.960 -5.018) 5.873 14.913 ( -9.558 -31.118 9.964) 34.044 17.025 ( -13.164 -7.050 -11.500) 18.848 ======================= Grid point 1614 (535/670) ======================= q-point: ( 0.63 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.952 ( 6.617 8.449 -0.086) 10.732 5.386 ( 8.376 12.292 0.038) 14.875 6.641 ( 5.726 7.773 6.046) 11.391 6.984 ( 11.659 21.082 -11.148) 26.546 7.767 ( 12.615 22.620 1.331) 25.934 10.074 ( 6.657 18.996 1.165) 20.162 10.433 ( 10.052 17.828 1.871) 20.552 10.697 ( 2.157 -5.357 0.439) 5.792 11.730 ( 9.255 13.375 -1.855) 16.371 12.587 ( -0.629 -0.593 -3.134) 3.251 14.452 ( -14.565 -26.911 5.194) 31.038 16.699 ( -11.109 -12.398 -4.923) 17.360 ======================= Grid point 1615 (536/670) ======================= q-point: ( 0.68 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.120 ( 5.451 6.035 -2.321) 8.457 5.635 ( 6.343 14.246 -2.193) 15.748 6.731 ( 1.639 0.590 0.732) 1.889 7.309 ( 6.910 15.588 -2.290) 17.204 8.247 ( 11.678 30.653 1.137) 32.822 10.214 ( -6.771 12.418 1.410) 14.214 10.682 ( 9.976 -1.765 -1.678) 10.269 10.835 ( 7.405 13.889 1.741) 15.836 12.027 ( 9.422 15.561 -3.097) 18.453 12.609 ( 6.338 -2.657 -0.240) 6.876 13.963 ( -17.253 -20.496 2.597) 26.917 16.392 ( -7.605 -16.506 -0.841) 18.193 ======================= Grid point 1616 (537/670) ======================= q-point: ( 0.74 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.233 ( 3.244 4.232 -3.391) 6.319 5.851 ( 3.136 15.852 -4.702) 16.829 6.749 ( 0.207 0.883 -1.564) 1.808 7.503 ( 4.873 4.388 4.423) 7.910 8.691 ( 1.022 36.350 -0.339) 36.366 10.185 ( -7.456 8.819 -0.096) 11.549 10.774 ( 5.342 -4.275 -1.796) 7.074 11.089 ( 3.463 16.313 0.807) 16.696 12.274 ( 1.355 17.488 -4.180) 18.031 12.752 ( 18.154 -12.036 2.675) 21.946 13.529 ( -15.289 -13.134 2.526) 20.313 16.136 ( -2.805 -17.299 0.534) 17.533 ======================= Grid point 1617 (538/670) ======================= q-point: ( 0.79 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.287 ( 0.260 2.939 -3.283) 4.414 6.004 ( -1.881 16.944 -7.289) 18.541 6.754 ( 0.400 1.103 -2.863) 3.094 7.599 ( 4.428 -4.258 8.450) 10.447 8.935 ( -15.178 37.625 -1.136) 40.587 10.168 ( -2.296 6.120 -1.578) 6.725 10.771 ( -3.058 0.756 -0.033) 3.151 11.240 ( 0.627 6.974 -1.846) 7.241 12.385 ( -7.674 20.163 -1.974) 21.665 12.938 ( 18.552 -19.190 0.898) 26.707 13.254 ( -5.050 -8.632 4.763) 11.077 15.994 ( 4.798 -14.275 0.289) 15.062 ======================= Grid point 1630 (539/670) ======================= q-point: ( 0.47 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( 0.000 13.606 9.885) 16.818 4.547 ( 0.000 18.767 10.531) 21.520 5.285 ( -0.000 23.557 -8.976) 25.209 6.366 ( 0.000 13.708 3.651) 14.186 7.104 ( -0.000 21.287 -9.322) 23.239 8.865 ( -0.000 41.519 -0.603) 41.523 9.527 ( 0.000 14.585 2.554) 14.807 11.059 ( 0.000 -4.295 3.425) 5.493 11.246 ( -0.000 -2.407 -1.410) 2.789 12.730 ( -0.000 1.107 -5.353) 5.466 15.361 ( 0.000 -31.808 15.006) 35.170 17.572 ( -0.000 -2.379 -21.629) 21.760 ======================= Grid point 1631 (540/670) ======================= q-point: ( 0.53 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.616 ( 1.282 12.331 6.033) 13.787 4.788 ( 7.403 11.279 6.392) 14.929 5.626 ( 12.975 29.238 -5.240) 32.414 6.505 ( 2.675 7.804 2.885) 8.740 7.286 ( 1.414 19.556 -6.979) 20.813 9.280 ( 5.672 34.138 -2.046) 34.667 9.733 ( 6.340 15.477 2.478) 16.908 11.001 ( -5.691 -0.974 4.726) 7.461 11.278 ( 5.493 0.760 -0.311) 5.554 12.721 ( -1.561 2.391 -3.778) 4.735 15.076 ( -1.728 -32.999 11.466) 34.977 17.412 ( -7.263 -4.702 -17.691) 19.693 ======================= Grid point 1632 (541/670) ======================= q-point: ( 0.58 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.779 ( 3.261 10.375 3.292) 11.362 5.047 ( 10.385 8.555 3.197) 13.830 6.205 ( 20.777 30.585 -1.641) 37.011 6.623 ( 4.910 3.522 0.306) 6.050 7.490 ( 3.602 18.411 -3.825) 19.146 9.677 ( 10.477 21.050 -3.068) 23.712 10.045 ( 11.103 16.581 2.291) 20.087 10.894 ( -8.412 0.850 4.353) 9.509 11.435 ( 8.552 6.621 1.041) 10.866 12.699 ( -4.173 5.361 -2.850) 7.367 14.742 ( -4.122 -32.349 7.522) 33.466 17.135 ( -12.304 -7.819 -12.538) 19.229 ======================= Grid point 1633 (542/670) ======================= q-point: ( 0.63 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.943 ( 4.508 8.262 1.536) 9.536 5.323 ( 11.457 9.071 1.555) 14.696 6.643 ( 3.573 4.779 5.545) 8.146 6.916 ( 19.385 24.431 -8.369) 32.291 7.765 ( 10.561 18.208 0.081) 21.049 10.005 ( 13.194 7.967 -3.129) 15.728 10.421 ( 12.856 17.233 2.190) 21.611 10.774 ( -9.069 2.501 3.626) 10.082 11.687 ( 10.534 11.336 0.794) 15.495 12.668 ( -6.296 7.963 -2.080) 10.362 14.368 ( -7.022 -29.465 3.831) 30.532 16.785 ( -14.267 -11.288 -7.205) 19.567 ======================= Grid point 1634 (543/670) ======================= q-point: ( 0.68 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.092 ( 4.499 6.280 0.301) 7.731 5.610 ( 10.844 10.839 0.452) 15.339 6.710 ( 1.876 0.354 2.426) 3.087 7.338 ( 7.344 17.252 -4.978) 19.399 8.244 ( 20.912 24.652 1.463) 32.360 10.248 ( 11.873 0.097 -2.032) 12.046 10.660 ( -7.603 6.150 0.407) 9.787 10.815 ( 12.448 14.043 3.897) 19.166 11.997 ( 11.279 14.401 -0.352) 18.296 12.623 ( -6.675 5.794 -1.420) 8.952 13.975 ( -9.526 -24.380 1.437) 26.214 16.413 ( -13.103 -14.107 -2.916) 19.473 ======================= Grid point 1635 (544/670) ======================= q-point: ( 0.74 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.212 ( 3.488 4.693 -0.666) 5.885 5.888 ( 8.423 12.972 -0.753) 15.485 6.744 ( 1.109 0.546 0.606) 1.377 7.500 ( 1.483 5.499 -0.637) 5.731 8.858 ( 17.907 30.408 0.313) 35.290 10.357 ( 0.119 0.657 -0.280) 0.724 10.645 ( 2.092 3.463 -0.752) 4.115 11.153 ( 9.299 14.253 2.113) 17.149 12.318 ( 9.270 15.270 -0.987) 17.891 12.543 ( -3.154 -3.919 -0.551) 5.061 13.607 ( -10.260 -17.283 0.758) 20.113 16.075 ( -9.153 -15.075 -0.476) 17.643 ======================= Grid point 1636 (545/670) ======================= q-point: ( 0.79 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.293 ( 1.739 3.668 -1.292) 4.260 6.126 ( 4.228 14.949 -2.509) 15.736 6.762 ( -0.060 1.494 -1.269) 1.961 7.524 ( 0.982 -4.306 3.389) 5.567 9.368 ( 5.428 32.319 -0.583) 32.777 10.297 ( -6.767 2.256 -0.929) 7.193 10.758 ( 5.498 3.140 1.235) 6.451 11.369 ( -1.807 14.190 -2.317) 14.492 12.442 ( 10.367 -21.153 2.057) 23.646 12.603 ( 2.974 16.604 -0.304) 16.871 13.320 ( -8.742 -9.343 0.340) 12.800 15.835 ( -2.412 -13.467 0.246) 13.683 ======================= Grid point 1650 (546/670) ======================= q-point: ( 0.53 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.740 ( 0.000 11.136 4.946) 12.185 4.832 ( 0.000 8.122 3.674) 8.914 5.772 ( -0.000 28.341 -3.234) 28.525 6.555 ( 0.000 4.726 3.029) 5.614 7.443 ( -0.000 19.016 -5.069) 19.680 9.501 ( -0.000 23.151 -4.257) 23.539 9.832 ( 0.000 15.086 2.383) 15.273 11.123 ( 0.000 6.375 9.387) 11.347 11.201 ( -0.000 -1.221 -1.519) 1.949 12.780 ( -0.000 8.610 -2.199) 8.886 14.803 ( 0.000 -32.754 7.472) 33.596 17.363 ( -0.000 -7.165 -15.195) 16.799 ======================= Grid point 1651 (547/670) ======================= q-point: ( 0.58 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.853 ( 0.511 9.167 3.641) 9.877 4.980 ( 7.263 6.838 2.855) 10.376 6.161 ( 15.130 26.963 -2.058) 30.986 6.610 ( 1.276 2.198 2.961) 3.902 7.612 ( 1.096 17.029 -3.746) 17.471 9.696 ( 4.629 12.451 -4.892) 14.156 10.045 ( 7.241 14.928 2.037) 16.716 11.070 ( -8.153 2.260 4.154) 9.425 11.353 ( 8.964 5.417 5.152) 11.672 12.862 ( -3.661 15.260 -1.297) 15.746 14.498 ( -1.606 -31.067 3.473) 31.301 17.178 ( -7.023 -9.696 -11.606) 16.674 ======================= Grid point 1652 (548/670) ======================= q-point: ( 0.63 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.969 ( 2.438 7.474 3.089) 8.447 5.211 ( 11.208 6.810 2.917) 13.435 6.649 ( 2.111 2.686 4.966) 6.028 6.757 ( 23.642 23.298 -4.869) 33.548 7.790 ( 4.310 13.760 -2.061) 14.566 9.868 ( 7.977 4.666 -4.204) 10.152 10.364 ( 12.514 14.478 1.885) 19.229 10.963 ( -8.378 2.153 3.162) 9.210 11.596 ( 11.391 6.299 5.241) 14.032 12.927 ( -8.479 19.021 -0.778) 20.840 14.176 ( -3.401 -27.903 -0.013) 28.109 16.879 ( -12.216 -11.664 -7.575) 18.511 ======================= Grid point 1653 (549/670) ======================= q-point: ( 0.68 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.093 ( 3.244 5.956 2.904) 7.378 5.497 ( 13.338 7.656 2.999) 15.669 6.694 ( 1.493 0.264 3.124) 3.473 7.327 ( 15.254 20.029 -5.720) 25.818 8.079 ( 18.508 13.156 0.798) 22.721 10.029 ( 10.203 -0.145 -2.677) 10.549 10.723 ( 13.311 9.644 3.445) 16.795 10.864 ( -7.420 6.070 0.656) 9.610 11.893 ( 14.552 7.414 3.833) 16.775 12.919 ( -13.783 17.327 -0.853) 22.157 13.852 ( -5.022 -23.739 -2.089) 24.354 16.514 ( -14.693 -12.333 -3.917) 19.579 ======================= Grid point 1654 (550/670) ======================= q-point: ( 0.74 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.205 ( 3.032 4.483 2.339) 5.896 5.814 ( 13.327 9.191 2.948) 16.455 6.729 ( 1.433 0.207 2.325) 2.739 7.551 ( -0.111 8.304 -5.327) 9.866 8.683 ( 31.144 18.707 1.211) 36.351 10.187 ( 10.792 -3.007 -0.612) 11.220 10.762 ( -4.994 2.984 0.645) 5.854 11.081 ( 11.739 10.645 2.281) 16.010 12.245 ( 15.996 9.883 1.831) 18.892 12.774 ( -19.466 10.053 -1.840) 21.986 13.550 ( -5.176 -18.902 -1.768) 19.678 16.146 ( -14.164 -11.279 -1.398) 18.160 ======================= Grid point 1670 (551/670) ======================= q-point: ( 0.58 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 0.000 8.685 6.074) 10.598 4.967 ( 0.000 4.894 1.301) 5.064 6.260 ( -0.000 22.800 -1.706) 22.863 6.629 ( 0.000 1.304 3.826) 4.042 7.746 ( -0.000 14.567 -3.893) 15.078 9.737 ( -0.000 7.573 -4.899) 9.019 10.123 ( -0.000 13.233 1.502) 13.318 11.180 ( -0.000 -0.147 -0.957) 0.968 11.325 ( 0.000 4.317 12.305) 13.040 13.079 ( -0.000 22.054 0.076) 22.054 14.232 ( 0.000 -27.101 -1.294) 27.132 17.100 ( -0.000 -11.604 -9.336) 14.893 ======================= Grid point 1671 (552/670) ======================= q-point: ( 0.63 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.018 ( 0.912 5.490 3.214) 6.427 5.128 ( 6.961 6.361 5.965) 11.158 6.599 ( 16.402 18.945 -2.575) 25.190 6.657 ( 0.894 1.200 4.511) 4.753 7.862 ( 0.735 10.858 -3.959) 11.581 9.810 ( 3.120 4.938 -3.857) 7.000 10.315 ( 8.084 11.426 0.919) 14.027 11.109 ( -6.478 0.672 1.817) 6.762 11.479 ( 9.074 1.175 9.756) 13.376 13.252 ( -5.130 20.384 1.862) 21.102 13.976 ( -2.247 -19.155 -6.391) 20.317 16.900 ( -6.640 -12.432 -6.356) 15.461 ======================= Grid point 1672 (553/670) ======================= q-point: ( 0.68 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.111 ( 2.490 4.710 4.112) 6.730 5.362 ( 11.489 5.849 6.690) 14.525 6.687 ( 0.989 0.630 3.353) 3.553 7.141 ( 25.528 17.209 -3.324) 30.966 7.967 ( 4.899 5.819 -2.926) 8.150 9.911 ( 5.266 3.399 -2.173) 6.634 10.591 ( 12.304 6.713 1.383) 14.085 11.024 ( -5.842 3.970 1.273) 7.178 11.704 ( 13.786 0.240 8.084) 15.983 13.292 ( -8.787 9.985 3.537) 13.763 13.745 ( -7.068 -7.589 -10.495) 14.754 16.613 ( -11.583 -11.168 -3.393) 16.444 ======================= Grid point 1673 (554/670) ======================= q-point: (-0.26 -0.42 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.208 ( 2.638 3.302 4.279) 6.015 5.662 ( 14.670 6.050 7.043) 17.361 6.722 ( 0.958 0.855 3.104) 3.359 7.585 ( 7.128 11.175 -7.777) 15.368 8.257 ( 29.318 4.425 0.863) 29.662 10.035 ( 6.710 2.267 -0.153) 7.084 10.763 ( 4.393 -4.156 2.759) 6.647 11.071 ( 2.877 11.953 -0.506) 12.305 12.006 ( 19.064 1.027 5.590) 19.893 13.190 ( -12.268 3.722 3.071) 13.183 13.501 ( -11.973 -3.640 -10.634) 16.422 16.294 ( -14.328 -7.598 -1.245) 16.266 ======================= Grid point 1690 (555/670) ======================= q-point: ( 0.63 0.63 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.050 ( 0.000 3.043 1.010) 3.206 5.168 ( 0.000 6.761 11.534) 13.370 6.607 ( -0.000 14.130 -2.070) 14.280 6.674 ( 0.000 0.968 4.429) 4.534 7.934 ( -0.000 7.779 -5.294) 9.409 9.825 ( -0.000 5.366 -2.808) 6.056 10.341 ( -0.000 8.385 -0.146) 8.387 11.185 ( 0.000 0.980 0.443) 1.075 11.419 ( 0.000 -2.434 12.918) 13.145 13.412 ( 0.000 -1.265 4.779) 4.943 13.898 ( -0.000 6.987 -13.102) 14.848 16.819 ( -0.000 -11.855 -4.192) 12.575 ======================= Grid point 1691 (556/670) ======================= q-point: (-0.32 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.109 ( 3.090 2.459 1.849) 4.360 5.307 ( 4.848 5.215 13.306) 15.092 6.698 ( 0.343 1.842 3.606) 4.063 6.877 ( 18.238 10.103 -1.754) 20.923 7.970 ( -0.164 3.789 -6.018) 7.114 9.888 ( 2.160 5.173 -1.336) 5.763 10.472 ( 7.715 4.209 -0.611) 8.809 11.149 ( -4.608 2.696 1.944) 5.681 11.517 ( 9.355 -4.007 11.157) 15.101 13.323 ( -0.823 -12.834 1.199) 12.916 13.938 ( -8.144 18.092 -12.324) 23.357 16.657 ( -6.059 -8.477 -1.872) 10.587 ======================= Grid point 1692 (557/670) ======================= q-point: (-0.26 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.195 ( 3.481 1.323 3.297) 4.973 5.520 ( 10.658 3.460 12.692) 16.931 6.739 ( 0.334 2.786 3.939) 4.836 7.364 ( 27.581 8.266 -4.259) 29.106 7.977 ( 3.845 -1.782 -4.781) 6.389 9.984 ( 3.954 4.343 0.295) 5.881 10.621 ( 7.726 -3.381 0.713) 8.463 11.156 ( -0.507 8.119 0.448) 8.148 11.710 ( 15.465 -5.218 9.237) 18.754 13.195 ( -0.695 -10.095 -0.979) 10.166 13.837 ( -17.302 11.995 -10.742) 23.636 16.455 ( -10.951 -2.465 -0.307) 11.229 ======================= Grid point 1710 (558/670) ======================= q-point: (-0.32 -0.32 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.098 ( 0.000 1.103 1.189) 1.622 5.364 ( 0.000 3.313 16.946) 17.267 6.741 ( 0.000 3.291 5.199) 6.153 6.774 ( -0.000 4.856 -2.632) 5.524 7.979 ( -0.000 1.499 -7.731) 7.875 9.917 ( -0.000 4.788 -0.447) 4.809 10.429 ( -0.000 1.185 -1.757) 2.120 11.223 ( 0.000 1.976 1.890) 2.735 11.423 ( 0.000 -5.362 12.882) 13.954 13.203 ( -0.000 -10.707 -3.020) 11.125 14.136 ( -0.000 13.764 -11.132) 17.702 16.648 ( 0.000 -2.604 -0.279) 2.619 ======================= Grid point 1711 (559/670) ======================= q-point: (-0.26 -0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.142 ( 3.695 -0.177 1.457) 3.976 5.468 ( 3.903 0.052 17.229) 17.666 6.792 ( -0.053 5.370 5.280) 7.531 6.970 ( 19.726 0.846 -2.014) 19.846 7.941 ( -1.391 -1.511 -8.601) 8.843 9.972 ( 2.059 2.907 0.310) 3.575 10.470 ( 5.783 -3.267 -1.417) 6.791 11.234 ( -1.006 4.052 1.841) 4.563 11.484 ( 8.179 -6.468 11.860) 15.792 13.113 ( 0.019 -5.204 -4.689) 7.005 14.109 ( -9.140 3.856 -9.987) 14.076 16.610 ( -5.991 5.186 0.411) 7.934 ======================= Grid point 1730 (560/670) ======================= q-point: (-0.26 -0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 0.000 -1.392 1.238) 1.863 5.477 ( 0.000 -4.270 17.745) 18.252 6.764 ( -0.000 -4.007 -2.710) 4.837 6.887 ( 0.000 7.372 8.205) 11.030 7.904 ( -0.000 -2.739 -10.144) 10.508 9.970 ( -0.000 0.023 -0.088) 0.091 10.372 ( -0.000 -5.413 -2.015) 5.775 11.272 ( 0.000 1.421 2.073) 2.514 11.403 ( 0.000 -4.901 13.191) 14.072 13.070 ( -0.000 0.037 -6.391) 6.391 14.145 ( -0.000 -5.277 -8.776) 10.241 16.752 ( -0.000 12.910 0.124) 12.911 ======================= Grid point 1911 (561/670) ======================= q-point: ( 0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 -0.000 31.016) 31.016 1.737 ( 0.000 -0.000 31.016) 31.016 3.278 ( 0.000 -0.000 60.726) 60.726 4.710 ( -0.000 0.000 -10.253) 10.253 4.710 ( -0.000 0.000 -10.253) 10.253 8.843 ( -0.000 0.000 -0.421) 0.421 8.843 ( -0.000 0.000 -0.421) 0.421 9.479 ( -0.000 0.000 -30.895) 30.895 11.495 ( 0.000 -0.000 0.375) 0.375 11.495 ( 0.000 -0.000 0.375) 0.375 16.063 ( 0.000 -0.000 7.228) 7.228 18.355 ( -0.000 0.000 -1.387) 1.387 ======================= Grid point 1912 (562/670) ======================= q-point: ( 0.32 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 19.606 11.319 26.252) 34.665 2.296 ( 35.809 20.674 27.217) 49.502 3.576 ( 11.693 6.751 51.487) 53.228 4.684 ( 1.560 0.901 -10.881) 11.029 4.833 ( 13.072 7.547 -9.559) 17.866 8.216 ( -19.726 -11.389 -5.559) 23.447 8.901 ( 3.813 2.202 -0.526) 4.435 10.751 ( 72.473 41.842 -41.461) 93.392 11.466 ( -2.219 -1.281 0.417) 2.596 11.545 ( 5.209 3.007 -3.520) 6.969 16.113 ( 2.084 1.203 7.146) 7.540 18.264 ( -7.662 -4.424 -4.907) 10.117 ======================= Grid point 1913 (563/670) ======================= q-point: ( 0.37 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 27.615 15.944 20.444) 37.878 3.084 ( 21.601 12.471 31.877) 40.476 4.274 ( 40.499 23.382 28.723) 54.881 4.709 ( 3.894 2.248 -11.516) 12.363 5.215 ( 23.510 13.574 -8.639) 28.489 7.932 ( -5.963 -3.443 -9.436) 11.681 9.009 ( 6.045 3.490 -0.645) 7.009 11.403 ( -3.387 -1.956 0.464) 3.939 11.474 ( 2.901 1.675 -2.416) 4.130 12.111 ( 45.652 26.357 -40.838) 66.682 16.186 ( 1.573 0.908 10.226) 10.386 17.986 ( -14.244 -8.224 -12.871) 20.885 ======================= Grid point 1914 (564/670) ======================= q-point: ( 0.42 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 30.031 17.338 16.633) 38.459 3.546 ( 14.400 8.314 26.946) 31.664 4.784 ( 6.445 3.721 -12.353) 14.422 5.340 ( 40.453 23.355 20.323) 50.940 5.847 ( 38.114 22.005 -12.639) 45.789 7.848 ( 1.392 0.804 -8.968) 9.111 9.166 ( 8.247 4.761 -0.676) 9.547 11.324 ( -3.689 -2.130 0.472) 4.286 11.442 ( -3.498 -2.020 -3.208) 5.158 12.753 ( 22.043 12.726 -27.354) 37.364 16.224 ( -3.671 -2.119 19.706) 20.157 17.582 ( -15.566 -8.987 -23.019) 29.205 ======================= Grid point 1915 (565/670) ======================= q-point: ( 0.47 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 16.822 9.712 16.935) 25.770 4.124 ( 26.646 15.384 14.868) 34.173 4.929 ( 10.990 6.345 -13.360) 18.427 6.093 ( 25.271 14.590 14.175) 32.441 6.710 ( 34.839 20.114 -17.862) 44.016 8.015 ( 18.433 10.642 -0.763) 21.298 9.371 ( 10.245 5.915 -0.521) 11.841 11.249 ( -3.047 -1.759 0.371) 3.538 11.335 ( -4.202 -2.426 -3.529) 6.000 12.968 ( 5.234 3.022 -18.104) 19.086 16.070 ( -18.593 -10.735 25.556) 33.378 17.228 ( -7.193 -4.153 -25.860) 27.161 ======================= Grid point 1916 (566/670) ======================= q-point: ( 0.53 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( 18.561 10.716 7.667) 22.762 4.632 ( 14.185 8.190 9.679) 19.026 5.243 ( 21.277 12.284 -9.437) 26.319 6.619 ( 17.828 10.293 10.204) 22.977 7.119 ( 11.884 6.861 -21.295) 25.333 8.667 ( 33.442 19.307 5.552) 39.012 9.615 ( 11.628 6.714 -0.145) 13.428 11.196 ( -1.721 -0.994 0.094) 1.990 11.288 ( 2.404 1.388 -2.841) 3.972 12.932 ( -2.379 -1.374 -13.046) 13.333 15.561 ( -31.327 -18.087 15.249) 39.256 17.094 ( -0.963 -0.556 -12.359) 12.409 ======================= Grid point 1917 (567/670) ======================= q-point: ( 0.58 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.822 ( 18.006 10.396 -0.552) 20.799 4.866 ( 6.818 3.936 2.395) 8.228 5.747 ( 23.549 13.596 -2.333) 27.293 6.879 ( 4.036 2.330 -4.100) 6.207 7.328 ( 12.993 7.501 -5.547) 15.996 9.303 ( 20.037 11.569 4.494) 23.570 9.879 ( 11.820 6.824 0.405) 13.655 11.174 ( -0.222 -0.128 -0.388) 0.465 11.462 ( 13.282 7.668 -4.519) 15.988 12.857 ( 0.769 0.444 -6.807) 6.864 14.853 ( -34.053 -19.661 6.975) 39.935 17.037 ( -2.982 -1.722 -2.258) 4.117 ======================= Grid point 1918 (568/670) ======================= q-point: ( 0.63 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( 4.514 2.606 -0.218) 5.217 5.183 ( 15.390 8.886 -8.282) 19.606 6.221 ( 18.561 10.716 0.729) 21.444 6.862 ( -1.602 -0.925 -10.092) 10.261 7.606 ( 10.627 6.136 4.626) 13.114 9.614 ( 8.737 5.044 3.018) 10.530 10.130 ( 10.183 5.879 1.046) 11.804 11.181 ( 0.982 0.567 -1.039) 1.538 11.700 ( 7.041 4.065 -11.434) 14.030 13.038 ( 17.260 9.965 3.119) 20.173 14.136 ( -31.088 -17.949 4.442) 36.171 16.928 ( -6.635 -3.830 1.343) 7.778 ======================= Grid point 1919 (569/670) ======================= q-point: ( 0.68 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.071 ( 2.819 1.628 -1.060) 3.424 5.439 ( 10.644 6.145 -15.452) 19.744 6.564 ( 11.622 6.710 2.181) 13.596 6.794 ( -1.036 -0.598 -7.575) 7.669 7.805 ( 5.255 3.034 7.733) 9.830 9.783 ( 6.516 3.762 1.437) 7.660 10.323 ( 6.324 3.651 1.667) 7.491 11.207 ( 1.728 0.998 -1.719) 2.633 11.693 ( -2.263 -1.307 -14.622) 14.854 13.514 ( -6.255 -3.611 -5.473) 9.062 13.578 ( 6.911 3.990 19.042) 20.647 16.765 ( -7.695 -4.443 1.268) 8.975 ======================= Grid point 1920 (570/670) ======================= q-point: ( 0.74 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.110 ( 0.986 0.569 -1.299) 1.727 5.542 ( 3.580 2.067 -19.463) 19.897 6.748 ( 4.109 2.372 2.805) 5.511 6.794 ( 3.169 1.830 -5.613) 6.700 7.895 ( 0.620 0.358 9.320) 9.348 9.915 ( 4.680 2.702 0.122) 5.406 10.410 ( 0.807 0.466 2.045) 2.247 11.243 ( 1.907 1.101 -2.134) 3.067 11.556 ( -5.040 -2.910 -14.497) 15.622 13.163 ( -10.967 -6.332 5.309) 13.732 14.026 ( 12.787 7.383 11.108) 18.477 16.647 ( -1.513 -0.874 -0.035) 1.748 ======================= Grid point 1931 (571/670) ======================= q-point: ( 0.32 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 16.547 26.708) 31.418 2.487 ( 0.000 43.974 26.573) 51.380 3.748 ( 0.000 12.260 48.750) 50.268 4.686 ( -0.000 3.585 -10.664) 11.250 4.760 ( -0.000 12.682 -9.753) 15.999 8.212 ( -0.000 -23.816 -6.502) 24.688 8.837 ( -0.000 1.433 0.004) 1.433 10.641 ( -0.000 83.162 -38.712) 91.731 11.490 ( 0.000 -1.412 0.207) 1.427 11.508 ( -0.000 2.020 -1.947) 2.806 16.136 ( 0.000 2.331 6.899) 7.282 18.265 ( -0.000 -7.416 -4.864) 8.869 ======================= Grid point 1932 (572/670) ======================= q-point: ( 0.37 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 21.144 20.807 21.801) 36.814 3.099 ( 11.747 30.868 30.827) 45.179 4.181 ( 15.775 30.976 29.803) 45.789 4.682 ( -0.015 5.691 -11.126) 12.497 5.013 ( 14.429 16.917 -7.343) 23.415 7.949 ( -5.547 -8.703 -9.105) 13.763 8.926 ( 6.349 2.459 -0.128) 6.810 11.405 ( 8.305 14.605 -7.709) 18.485 11.446 ( -1.170 0.952 -1.053) 1.840 11.691 ( 24.358 37.249 -31.563) 54.562 16.195 ( 1.649 1.574 8.311) 8.618 18.076 ( -9.656 -9.813 -10.021) 17.028 ======================= Grid point 1933 (573/670) ======================= q-point: ( 0.42 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 25.645 23.811 17.268) 39.023 3.557 ( 7.840 13.480 30.277) 34.056 4.729 ( 2.471 7.570 -11.913) 14.329 5.072 ( 33.378 41.132 17.422) 55.763 5.497 ( 25.137 21.699 -9.094) 34.430 7.820 ( -0.980 -0.450 -9.655) 9.715 9.078 ( 7.710 4.927 -0.442) 9.160 11.363 ( -3.408 -2.561 0.257) 4.271 11.448 ( -1.349 -3.023 -2.396) 4.086 12.421 ( 25.794 25.571 -28.533) 46.188 16.263 ( 1.616 -2.252 14.823) 15.080 17.709 ( -16.513 -9.405 -18.380) 26.437 ======================= Grid point 1934 (574/670) ======================= q-point: ( 0.47 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 13.747 13.165 18.853) 26.791 3.948 ( 21.285 22.757 17.284) 35.633 4.838 ( 5.338 10.589 -13.068) 17.647 5.896 ( 23.060 20.191 14.697) 33.992 6.288 ( 36.935 31.513 -14.994) 50.814 7.884 ( 8.966 9.730 -4.590) 14.004 9.276 ( 8.931 7.563 -0.551) 11.716 11.274 ( -3.544 -4.183 -0.297) 5.490 11.364 ( -3.117 -2.785 -2.784) 5.022 12.809 ( 11.594 7.448 -18.576) 23.129 16.244 ( -6.194 -12.325 24.781) 28.362 17.289 ( -14.450 -3.574 -26.383) 30.292 ======================= Grid point 1935 (575/670) ======================= q-point: ( 0.53 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 13.852 11.816 11.378) 21.470 4.548 ( 15.332 17.201 13.005) 26.459 5.075 ( 13.460 19.160 -12.337) 26.467 6.454 ( 19.433 13.585 10.926) 26.107 6.905 ( 16.701 13.421 -20.911) 29.938 8.377 ( 28.139 25.176 4.298) 38.001 9.517 ( 9.905 9.933 -0.367) 14.032 11.171 ( -1.423 -6.318 -1.117) 6.572 11.307 ( -1.670 1.944 -1.931) 3.209 12.881 ( 1.551 -1.479 -13.279) 13.451 15.891 ( -23.898 -22.281 18.387) 37.492 17.071 ( -2.697 1.327 -16.594) 16.864 ======================= Grid point 1936 (576/670) ======================= q-point: ( 0.58 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 14.959 10.385 3.306) 18.508 4.852 ( 5.337 10.332 3.660) 12.192 5.574 ( 19.522 26.059 -3.540) 32.753 6.806 ( 7.623 4.249 -1.071) 8.793 7.170 ( 13.320 10.970 -9.518) 19.707 9.109 ( 24.065 21.939 5.299) 32.993 9.790 ( 10.044 11.726 0.047) 15.439 11.126 ( 2.868 -4.938 -1.071) 5.810 11.364 ( 5.330 7.417 -2.997) 9.613 12.813 ( -0.223 -3.195 -8.782) 9.348 15.229 ( -31.806 -22.796 7.634) 39.870 17.027 ( -0.194 -2.533 -3.340) 4.196 ======================= Grid point 1937 (577/670) ======================= q-point: ( 0.63 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.938 ( 8.511 5.536 -1.378) 10.247 5.053 ( 8.103 12.277 -2.821) 14.978 6.117 ( 15.371 24.817 0.595) 29.198 6.842 ( -0.292 0.239 -10.350) 10.356 7.499 ( 12.682 10.018 2.775) 16.398 9.554 ( 9.201 11.335 4.155) 15.179 10.068 ( 8.731 12.641 0.594) 15.375 11.135 ( 2.835 -3.280 -1.434) 4.567 11.589 ( 9.938 9.462 -7.981) 15.874 12.856 ( 11.199 2.144 -1.262) 11.471 14.497 ( -31.931 -20.240 3.939) 38.010 16.956 ( -2.802 -7.196 1.944) 7.963 ======================= Grid point 1938 (578/670) ======================= q-point: ( 0.68 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.062 ( 2.476 5.090 -1.454) 5.845 5.299 ( 9.285 9.827 -10.907) 17.371 6.544 ( 8.228 20.378 2.683) 22.139 6.797 ( -1.369 2.081 -9.086) 9.421 7.763 ( 7.380 6.243 6.024) 11.390 9.745 ( 4.357 6.544 2.581) 8.274 10.313 ( 5.161 12.304 1.142) 13.392 11.145 ( 3.123 -3.496 -2.075) 5.127 11.706 ( -0.973 5.940 -12.617) 13.979 13.246 ( 25.709 7.720 3.582) 27.081 13.840 ( -26.192 -15.712 6.208) 31.167 16.810 ( -5.227 -9.863 2.549) 11.450 ======================= Grid point 1939 (579/670) ======================= q-point: ( 0.74 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.125 ( 0.127 4.465 -1.551) 4.728 5.453 ( 4.509 6.686 -16.434) 18.306 6.730 ( 1.950 2.383 -2.393) 3.900 6.868 ( -1.114 18.854 -0.304) 18.889 7.904 ( 2.392 1.875 7.553) 8.141 9.878 ( 4.171 5.150 0.783) 6.673 10.462 ( -0.675 9.057 1.407) 9.190 11.170 ( 4.615 -2.615 -2.326) 5.792 11.635 ( -7.709 4.885 -12.879) 15.785 13.326 ( -15.071 -8.810 1.019) 17.487 13.813 ( 22.217 3.300 12.754) 25.829 16.643 ( -3.155 -8.722 1.002) 9.329 ======================= Grid point 1951 (580/670) ======================= q-point: ( 0.37 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.000 28.101 21.111) 35.148 3.409 ( 0.000 25.088 33.639) 41.964 4.491 ( 0.000 45.420 16.995) 48.496 4.708 ( -0.000 5.981 -11.108) 12.616 5.058 ( -0.000 22.209 -4.170) 22.597 7.880 ( -0.000 -7.157 -9.412) 11.824 8.903 ( 0.000 5.150 0.911) 5.230 11.434 ( -0.000 1.369 -1.476) 2.014 11.446 ( 0.000 -2.994 -0.175) 2.999 11.812 ( -0.000 50.957 -33.015) 60.717 16.220 ( 0.000 0.195 9.364) 9.366 18.021 ( -0.000 -10.973 -13.102) 17.090 ======================= Grid point 1952 (581/670) ======================= q-point: ( 0.42 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 16.959 29.658 17.961) 38.598 3.717 ( 1.949 13.663 30.954) 33.891 4.744 ( 1.143 8.366 -11.722) 14.446 5.168 ( 16.016 54.681 8.013) 57.539 5.378 ( 12.163 23.749 -3.187) 26.872 7.802 ( -0.575 0.388 -9.153) 9.179 9.017 ( 5.610 6.799 0.912) 8.862 11.382 ( -2.321 -3.886 -0.541) 4.558 11.418 ( -0.169 -4.164 -1.486) 4.424 12.281 ( 13.730 32.906 -24.294) 43.146 16.251 ( 1.257 -4.477 14.103) 14.850 17.784 ( -9.752 -9.398 -19.317) 23.591 ======================= Grid point 1953 (582/670) ======================= q-point: ( 0.47 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 20.355 26.939 15.310) 37.073 3.984 ( 6.368 14.197 22.424) 27.293 4.840 ( 3.508 12.245 -12.645) 17.949 5.820 ( 15.733 21.124 10.743) 28.446 6.063 ( 26.417 45.013 -11.055) 53.350 7.856 ( 5.022 11.793 -5.530) 13.960 9.212 ( 8.105 9.153 0.518) 12.237 11.280 ( -3.577 -6.864 -1.277) 7.845 11.365 ( -1.033 -2.620 -1.380) 3.136 12.651 ( 10.928 12.579 -15.936) 23.057 16.238 ( -0.544 -14.384 21.974) 26.269 17.427 ( -14.867 -3.563 -25.778) 29.971 ======================= Grid point 1954 (583/670) ======================= q-point: ( 0.53 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( 8.779 12.638 12.579) 19.875 4.519 ( 16.797 22.195 14.919) 31.580 5.051 ( 9.425 22.070 -12.962) 27.275 6.316 ( 17.604 15.760 9.117) 25.326 6.725 ( 16.678 22.551 -17.022) 32.809 8.250 ( 19.842 29.533 2.023) 35.637 9.463 ( 9.403 12.065 0.313) 15.300 11.135 ( -3.456 -8.769 -1.465) 9.539 11.337 ( -0.577 0.921 -1.197) 1.617 12.784 ( 3.761 0.223 -11.362) 11.971 16.023 ( -12.046 -25.983 21.208) 35.637 17.129 ( -9.366 2.623 -21.729) 23.807 ======================= Grid point 1955 (584/670) ======================= q-point: ( 0.58 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 10.832 11.465 5.495) 16.702 4.889 ( 5.947 12.717 4.991) 14.900 5.546 ( 17.801 33.421 -3.799) 38.056 6.701 ( 10.735 6.295 0.825) 12.472 7.049 ( 11.820 15.447 -10.964) 22.328 8.976 ( 24.310 31.835 4.737) 40.334 9.756 ( 9.778 14.814 0.410) 17.755 11.017 ( 0.835 -8.348 -1.594) 8.540 11.369 ( 1.830 5.543 -1.617) 6.057 12.749 ( -0.068 -4.360 -8.400) 9.464 15.494 ( -24.388 -27.125 9.903) 37.798 17.004 ( -2.524 -1.597 -7.466) 8.041 ======================= Grid point 1956 (585/670) ======================= q-point: ( 0.63 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.835 ( 10.209 8.708 -0.522) 13.428 5.091 ( 3.613 13.139 0.029) 13.627 6.152 ( 15.260 32.732 1.613) 36.150 6.805 ( 1.944 1.672 -9.933) 10.259 7.407 ( 13.177 15.020 0.919) 20.002 9.554 ( 10.816 20.356 4.606) 23.507 10.069 ( 8.928 16.766 0.707) 19.008 11.003 ( 6.029 -6.521 -2.633) 9.263 11.519 ( 7.707 10.813 -3.683) 13.779 12.711 ( 4.539 -2.890 -4.020) 6.716 14.815 ( -28.956 -23.407 3.748) 37.422 16.915 ( -1.725 -8.726 0.664) 8.919 ======================= Grid point 1957 (586/670) ======================= q-point: ( 0.68 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.038 ( 6.216 6.165 -3.415) 9.398 5.280 ( 4.045 13.802 -4.412) 15.044 6.641 ( 6.881 19.841 4.668) 21.513 6.825 ( 1.922 11.685 -10.451) 15.794 7.734 ( 8.343 12.417 3.747) 15.422 9.791 ( 0.977 10.651 3.445) 11.237 10.371 ( 6.387 17.862 1.014) 18.997 11.027 ( 4.616 -6.128 -3.279) 8.344 11.733 ( 4.103 11.446 -8.237) 14.686 12.902 ( 20.380 1.640 1.797) 20.525 14.142 ( -27.371 -18.640 3.295) 33.279 16.772 ( -3.105 -13.550 2.959) 14.213 ======================= Grid point 1958 (587/670) ======================= q-point: ( 0.74 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.149 ( 2.338 5.089 -3.627) 6.672 5.442 ( 2.311 12.530 -9.810) 16.080 6.721 ( 0.035 1.093 -3.315) 3.491 7.115 ( 1.994 28.555 1.804) 28.681 7.931 ( 1.363 8.585 4.405) 9.744 9.892 ( 1.132 7.149 1.537) 7.400 10.597 ( -0.402 15.007 0.296) 15.015 11.041 ( 5.819 -4.191 -2.225) 7.508 11.792 ( -5.649 10.810 -9.902) 15.710 13.320 ( 18.816 -1.673 -1.843) 18.980 13.636 ( -11.027 -11.150 11.463) 19.424 16.586 ( -2.943 -14.599 2.156) 15.048 ======================= Grid point 1971 (588/670) ======================= q-point: ( 0.42 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( 0.000 32.785 17.408) 37.120 3.917 ( 0.000 10.801 26.716) 28.816 4.772 ( -0.000 8.440 -11.738) 14.457 5.517 ( -0.000 30.256 -6.415) 30.929 5.611 ( 0.000 53.947 7.817) 54.511 7.803 ( -0.000 6.206 -7.861) 10.016 9.049 ( 0.000 9.042 1.893) 9.238 11.347 ( -0.000 -6.857 -1.468) 7.012 11.377 ( -0.000 -3.736 -0.685) 3.798 12.403 ( -0.000 26.370 -17.249) 31.511 16.223 ( 0.000 -10.175 16.772) 19.617 17.716 ( -0.000 -6.941 -23.463) 24.468 ======================= Grid point 1972 (589/670) ======================= q-point: ( 0.47 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 13.336 31.075 15.757) 37.306 4.108 ( 2.181 11.378 19.403) 22.599 4.855 ( 3.552 11.655 -12.513) 17.465 5.848 ( 8.241 23.659 4.109) 25.388 6.209 ( 9.241 47.336 -5.339) 48.524 7.914 ( 3.107 18.810 -4.675) 19.630 9.198 ( 5.217 10.907 1.880) 12.235 11.251 ( -2.289 -8.326 -0.995) 8.692 11.341 ( 0.247 -3.030 -0.885) 3.166 12.602 ( 4.719 13.056 -11.117) 17.785 16.148 ( 0.059 -19.364 20.779) 28.403 17.515 ( -8.404 -1.859 -26.853) 28.199 ======================= Grid point 1973 (590/670) ======================= q-point: ( 0.53 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 4.820 13.229 11.093) 17.924 4.504 ( 16.266 22.290 15.296) 31.550 5.067 ( 9.580 21.837 -12.732) 27.032 6.245 ( 12.397 17.257 6.957) 22.358 6.705 ( 9.129 27.522 -12.241) 31.474 8.296 ( 12.617 35.376 0.171) 37.559 9.437 ( 8.550 13.297 1.461) 15.876 11.108 ( -4.101 -9.224 -0.485) 10.107 11.332 ( 1.197 -0.367 -0.880) 1.530 12.707 ( 2.622 1.979 -7.701) 8.372 15.953 ( -4.335 -29.008 20.357) 35.702 17.263 ( -11.211 2.563 -23.877) 26.502 ======================= Grid point 1974 (591/670) ======================= q-point: ( 0.58 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.532 ( 6.941 11.830 5.648) 14.833 4.908 ( 8.705 12.267 5.961) 16.181 5.567 ( 18.415 35.047 -4.234) 39.816 6.589 ( 10.678 7.688 2.477) 13.389 7.016 ( 8.346 19.763 -9.670) 23.532 8.957 ( 19.859 38.605 2.429) 43.481 9.742 ( 10.210 16.037 1.141) 19.046 10.948 ( -3.459 -9.292 -0.331) 9.920 11.376 ( 2.667 3.943 -1.038) 4.872 12.689 ( -0.433 -3.478 -5.954) 6.909 15.562 ( -13.390 -31.848 12.497) 36.739 17.054 ( -8.262 -0.059 -13.099) 15.488 ======================= Grid point 1975 (592/670) ======================= q-point: ( 0.63 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 7.861 9.890 1.054) 12.677 5.147 ( 5.450 12.470 0.938) 13.642 6.216 ( 17.236 34.282 2.395) 38.446 6.746 ( 4.373 2.900 -7.432) 9.098 7.363 ( 11.944 19.643 -0.847) 23.005 9.603 ( 14.029 29.146 3.166) 32.501 10.084 ( 10.150 18.208 1.015) 20.871 10.840 ( 2.134 -8.576 -1.496) 8.963 11.502 ( 5.635 9.449 -1.613) 11.120 12.624 ( 0.235 -3.883 -3.963) 5.553 15.004 ( -20.955 -28.160 4.922) 35.445 16.882 ( -5.225 -7.726 -3.249) 9.877 ======================= Grid point 1976 (593/670) ======================= q-point: ( 0.68 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.980 ( 6.751 7.490 -2.244) 10.331 5.352 ( 3.786 14.249 -1.461) 14.816 6.694 ( 4.251 7.837 4.806) 10.128 6.876 ( 9.434 23.398 -8.598) 26.653 7.751 ( 10.127 20.618 1.561) 23.023 9.939 ( -0.894 16.597 3.445) 16.974 10.429 ( 9.017 19.217 1.163) 21.259 10.848 ( 7.324 -7.017 -3.557) 10.748 11.732 ( 8.103 13.711 -3.524) 16.312 12.651 ( 8.982 -1.942 -0.512) 9.204 14.388 ( -23.802 -22.466 1.893) 32.785 16.696 ( -4.035 -14.481 1.519) 15.110 ======================= Grid point 1977 (594/670) ======================= q-point: ( 0.74 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 4.371 5.522 -3.903) 8.052 5.532 ( 1.581 15.347 -4.256) 16.004 6.724 ( -0.350 0.918 -2.866) 3.030 7.282 ( 8.758 21.816 3.352) 23.747 8.079 ( 1.903 24.051 0.756) 24.138 10.006 ( -4.654 9.685 2.122) 10.953 10.741 ( 3.474 18.698 -0.190) 19.019 10.879 ( 6.751 -6.073 -2.492) 9.416 11.940 ( 0.677 15.091 -5.886) 16.212 12.906 ( 22.560 -3.437 2.032) 22.911 13.826 ( -20.755 -16.356 3.150) 26.612 16.483 ( -3.126 -17.676 2.398) 18.109 ======================= Grid point 1991 (595/670) ======================= q-point: ( 0.47 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.111 ( 0.000 30.295 15.709) 34.126 4.250 ( 0.000 10.988 13.605) 17.488 4.894 ( -0.000 13.273 -12.692) 18.364 6.028 ( 0.000 22.988 5.383) 23.609 6.537 ( -0.000 37.217 -7.366) 37.939 8.110 ( -0.000 31.087 -2.818) 31.214 9.272 ( 0.000 12.413 2.524) 12.667 11.192 ( 0.000 -7.850 0.557) 7.869 11.299 ( -0.000 -3.509 -1.176) 3.700 12.645 ( -0.000 8.175 -6.632) 10.527 15.995 ( 0.000 -26.160 20.030) 32.948 17.492 ( -0.000 0.793 -26.970) 26.982 ======================= Grid point 1992 (596/670) ======================= q-point: ( 0.53 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( 1.255 12.798 8.372) 15.345 4.527 ( 10.415 20.261 13.621) 26.542 5.079 ( 8.456 22.300 -11.787) 26.603 6.290 ( 4.980 16.807 7.214) 18.956 6.836 ( 2.726 25.492 -9.717) 27.416 8.507 ( 6.298 40.957 -1.242) 41.457 9.454 ( 5.474 13.992 2.355) 15.208 11.095 ( -3.594 -6.922 1.711) 7.985 11.287 ( 2.366 -1.747 -0.884) 3.071 12.686 ( 0.374 2.187 -4.009) 4.582 15.764 ( -1.487 -32.300 17.447) 36.741 17.364 ( -6.761 2.111 -23.419) 24.467 ======================= Grid point 1993 (597/670) ======================= q-point: ( 0.58 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( 3.654 11.712 4.433) 13.045 4.878 ( 9.913 10.625 5.933) 15.696 5.567 ( 19.144 33.552 -4.807) 38.927 6.532 ( 6.381 7.853 5.216) 11.384 7.084 ( 4.408 21.578 -7.786) 23.359 9.065 ( 13.017 39.311 -0.829) 41.418 9.734 ( 9.560 16.008 1.823) 18.734 10.956 ( -6.012 -5.935 2.128) 8.712 11.345 ( 4.454 2.604 -0.316) 5.169 12.668 ( -1.552 -1.200 -2.903) 3.503 15.430 ( -5.501 -34.914 12.095) 37.357 17.167 ( -9.999 -0.180 -16.055) 18.915 ======================= Grid point 1994 (598/670) ======================= q-point: ( 0.63 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.767 ( 5.269 10.261 1.792) 11.673 5.141 ( 8.816 10.175 1.638) 13.563 6.238 ( 20.439 33.876 0.666) 39.570 6.678 ( 4.722 2.766 -1.519) 5.679 7.380 ( 8.901 20.980 -2.312) 22.907 9.643 ( 15.580 28.799 -0.719) 32.751 10.082 ( 11.412 17.953 1.232) 21.308 10.805 ( -6.118 -4.888 1.893) 8.056 11.487 ( 6.330 8.425 -0.228) 10.541 12.608 ( -2.610 -1.244 -2.177) 3.619 14.991 ( -10.970 -32.860 5.961) 35.152 16.930 ( -10.123 -5.981 -7.783) 14.101 ======================= Grid point 1995 (599/670) ======================= q-point: ( 0.68 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.951 ( 5.398 8.311 -0.122) 9.911 5.387 ( 7.429 12.160 0.056) 14.250 6.701 ( 2.593 2.835 4.906) 6.231 6.891 ( 14.579 26.444 -6.626) 30.915 7.776 ( 13.259 23.203 0.457) 26.728 10.082 ( 8.545 17.414 0.397) 19.401 10.445 ( 9.936 17.395 0.583) 20.041 10.701 ( -0.062 -3.314 0.249) 3.324 11.717 ( 8.413 13.589 -0.690) 15.997 12.567 ( -0.191 -0.100 -1.035) 1.057 14.486 ( -15.515 -27.499 1.798) 31.625 16.667 ( -8.667 -12.608 -1.734) 15.397 ======================= Grid point 1996 (600/670) ======================= q-point: ( 0.74 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.101 ( 4.266 6.409 -1.474) 7.839 5.619 ( 5.001 14.335 -1.253) 15.234 6.729 ( 0.096 0.882 -1.184) 1.479 7.305 ( 9.760 16.112 1.634) 18.909 8.252 ( 11.276 30.416 -0.165) 32.439 10.229 ( -6.521 11.299 1.766) 13.164 10.668 ( 9.735 -3.167 -1.139) 10.301 10.839 ( 6.476 16.496 -0.999) 17.750 12.004 ( 8.042 16.140 -1.602) 18.104 12.612 ( 7.751 -2.719 0.740) 8.247 13.979 ( -17.088 -20.661 0.600) 26.819 16.393 ( -6.418 -17.180 1.096) 18.373 ======================= Grid point 2011 (601/670) ======================= q-point: ( 0.53 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 0.000 11.855 5.060) 12.890 4.648 ( 0.000 14.369 9.966) 17.487 5.199 ( -0.000 27.334 -8.533) 28.635 6.421 ( 0.000 12.121 7.925) 14.482 7.019 ( -0.000 22.773 -8.250) 24.221 8.849 ( -0.000 40.822 -2.582) 40.904 9.552 ( 0.000 14.547 2.566) 14.771 11.100 ( 0.000 -1.985 4.897) 5.284 11.232 ( -0.000 -2.500 -1.440) 2.885 12.696 ( -0.000 1.713 -1.701) 2.414 15.501 ( 0.000 -35.110 13.610) 37.655 17.365 ( -0.000 0.836 -20.611) 20.628 ======================= Grid point 2012 (602/670) ======================= q-point: ( 0.58 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.661 ( 0.922 11.498 3.192) 11.968 4.843 ( 6.839 8.622 4.532) 11.901 5.581 ( 13.541 31.578 -3.832) 34.571 6.553 ( 2.072 6.011 7.126) 9.551 7.222 ( 1.613 21.537 -6.201) 22.470 9.251 ( 6.101 32.830 -3.679) 33.594 9.756 ( 6.196 15.417 2.149) 16.754 11.048 ( -6.736 0.251 4.714) 8.226 11.280 ( 5.919 2.014 0.971) 6.327 12.698 ( -1.835 2.628 -0.863) 3.320 15.178 ( -1.857 -36.270 9.127) 37.446 17.247 ( -6.262 -1.890 -15.749) 17.053 ======================= Grid point 2013 (603/670) ======================= q-point: ( 0.63 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( 2.752 10.205 2.368) 10.832 5.073 ( 9.841 8.100 2.042) 12.909 6.190 ( 22.197 31.549 -1.723) 38.613 6.647 ( 2.299 1.971 4.632) 5.534 7.455 ( 4.681 19.750 -3.360) 20.573 9.642 ( 11.162 19.957 -4.082) 23.228 10.063 ( 10.956 16.611 1.358) 19.945 10.936 ( -8.875 1.259 4.213) 9.905 11.452 ( 7.692 8.194 2.515) 11.516 12.681 ( -4.444 5.511 -0.804) 7.125 14.802 ( -4.439 -34.997 4.609) 35.577 17.025 ( -10.561 -5.986 -9.949) 15.695 ======================= Grid point 2014 (604/670) ======================= q-point: ( 0.68 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( 3.704 8.601 1.964) 9.568 5.338 ( 10.832 9.442 1.452) 14.443 6.699 ( 1.447 0.665 4.455) 4.732 6.849 ( 20.155 27.842 -3.864) 34.588 7.762 ( 11.900 18.977 -0.694) 22.410 9.973 ( 14.034 7.468 -3.455) 16.269 10.433 ( 12.544 17.558 0.373) 21.582 10.811 ( -9.379 2.455 3.905) 10.452 11.702 ( 9.142 12.440 2.398) 15.623 12.654 ( -6.330 7.969 -0.898) 10.217 14.392 ( -7.255 -31.160 1.091) 32.012 16.726 ( -12.365 -10.543 -4.684) 16.911 ======================= Grid point 2031 (605/670) ======================= q-point: ( 0.58 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 0.000 11.590 3.191) 12.021 4.863 ( 0.000 6.482 2.562) 6.970 5.745 ( -0.000 29.528 -2.201) 29.610 6.607 ( 0.000 3.246 7.535) 8.205 7.394 ( -0.000 20.240 -5.040) 20.858 9.455 ( -0.000 22.375 -5.158) 22.961 9.854 ( -0.000 14.864 1.962) 14.993 11.188 ( -0.000 -1.139 -1.225) 1.673 11.219 ( 0.000 8.532 10.140) 13.252 12.767 ( -0.000 8.560 -0.301) 8.565 14.865 ( 0.000 -36.131 5.184) 36.501 17.223 ( -0.000 -4.550 -13.230) 13.991 ======================= Grid point 2032 (606/670) ======================= q-point: ( 0.63 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.887 ( 0.090 9.482 3.377) 10.066 5.006 ( 7.329 7.264 2.469) 10.610 6.142 ( 15.056 27.135 -1.787) 31.083 6.658 ( 0.735 1.160 6.992) 7.126 7.574 ( 1.534 17.538 -4.102) 18.076 9.647 ( 4.875 12.509 -5.137) 14.374 10.062 ( 7.154 14.687 1.254) 16.385 11.102 ( -7.035 1.085 2.495) 7.543 11.418 ( 7.109 7.971 8.109) 13.410 12.852 ( -3.810 15.395 -0.641) 15.873 14.521 ( -1.469 -34.386 1.275) 34.441 17.074 ( -6.321 -7.576 -9.509) 13.703 ======================= Grid point 2033 (607/670) ======================= q-point: (-0.32 -0.42 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.002 ( 2.117 7.970 3.680) 9.031 5.242 ( 10.699 8.022 3.448) 13.810 6.681 ( 7.365 6.712 -1.940) 10.152 6.741 ( 16.991 18.224 5.105) 25.434 7.766 ( 5.553 13.865 -2.937) 15.221 9.828 ( 8.370 5.309 -3.999) 10.688 10.375 ( 12.578 14.593 0.360) 19.269 10.995 ( -8.171 1.229 3.299) 8.897 11.657 ( 9.663 7.606 7.242) 14.271 12.917 ( -8.778 19.518 -1.258) 21.438 14.167 ( -2.847 -30.995 -1.790) 31.177 16.814 ( -11.185 -10.198 -5.590) 16.135 ======================= Grid point 2051 (608/670) ======================= q-point: (-0.37 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.979 ( 0.000 4.649 1.062) 4.769 5.028 ( 0.000 10.839 7.252) 13.041 6.244 ( -0.000 22.686 -1.559) 22.739 6.683 ( 0.000 0.257 7.185) 7.190 7.704 ( -0.000 14.466 -4.723) 15.218 9.690 ( -0.000 8.297 -4.667) 9.520 10.134 ( -0.000 12.774 0.707) 12.793 11.173 ( -0.000 0.217 -0.308) 0.377 11.450 ( 0.000 4.763 13.268) 14.097 13.076 ( -0.000 23.224 -0.748) 23.236 14.211 ( 0.000 -31.359 -2.898) 31.492 17.017 ( -0.000 -9.536 -7.428) 12.087 ======================= Grid point 2052 (609/670) ======================= q-point: (-0.32 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.045 ( 2.165 4.927 2.231) 5.826 5.201 ( 5.281 9.349 9.011) 14.017 6.571 ( 14.785 17.928 -2.890) 23.418 6.716 ( 1.893 1.024 7.307) 7.617 7.818 ( 1.256 10.388 -5.125) 11.651 9.774 ( 3.312 5.977 -3.361) 7.615 10.319 ( 8.177 11.027 -0.157) 13.729 11.126 ( -5.514 0.678 1.824) 5.847 11.585 ( 7.238 1.491 11.845) 13.961 13.262 ( -5.722 23.883 -0.030) 24.559 13.907 ( -1.347 -25.353 -7.353) 26.432 16.846 ( -6.267 -10.641 -4.676) 13.205 ======================= Grid point 2071 (610/670) ======================= q-point: (-0.32 -0.32 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.061 ( 0.000 3.097 1.097) 3.285 5.294 ( 0.000 9.241 14.128) 16.882 6.585 ( -0.000 13.838 -2.251) 14.020 6.726 ( 0.000 0.148 6.306) 6.308 7.875 ( -0.000 7.066 -6.690) 9.731 9.800 ( -0.000 6.496 -2.202) 6.860 10.336 ( -0.000 7.772 -0.982) 7.833 11.193 ( 0.000 1.540 1.168) 1.933 11.552 ( 0.000 -2.742 14.219) 14.481 13.461 ( 0.000 -2.836 5.238) 5.957 13.753 ( -0.000 6.071 -16.560) 17.638 16.785 ( -0.000 -10.076 -2.826) 10.465 ======================= Grid point 2292 (611/670) ======================= q-point: ( 0.32 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 -0.000 27.285) 27.285 2.021 ( 0.000 -0.000 27.285) 27.285 3.842 ( 0.000 -0.000 54.797) 54.797 4.606 ( -0.000 0.000 -10.872) 10.872 4.606 ( -0.000 0.000 -10.872) 10.872 8.839 ( -0.000 0.000 -0.378) 0.378 8.839 ( -0.000 0.000 -0.378) 0.378 9.171 ( -0.000 0.000 -32.019) 32.019 11.499 ( 0.000 -0.000 0.342) 0.342 11.499 ( 0.000 -0.000 0.342) 0.342 16.130 ( 0.000 -0.000 6.476) 6.476 18.342 ( -0.000 0.000 -1.322) 1.322 ======================= Grid point 2293 (612/670) ======================= q-point: ( 0.37 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 17.558 10.137 22.750) 30.473 2.552 ( 35.873 20.711 25.097) 48.433 4.039 ( 4.699 2.713 42.290) 42.637 4.577 ( 1.413 0.816 -10.956) 11.076 4.749 ( 14.254 8.230 -6.616) 17.739 8.146 ( -20.878 -12.054 -8.765) 25.652 8.894 ( 3.732 2.155 -0.820) 4.387 10.392 ( 69.807 40.303 -31.991) 86.723 11.470 ( -2.184 -1.261 0.499) 2.570 11.522 ( 1.596 0.921 -1.646) 2.471 16.178 ( 2.401 1.386 6.148) 6.744 18.224 ( -10.078 -5.819 -3.496) 12.151 ======================= Grid point 2294 (613/670) ======================= q-point: ( 0.42 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 25.983 15.001 17.507) 34.737 3.386 ( 23.348 13.480 30.253) 40.523 4.506 ( 33.452 19.314 16.505) 42.006 4.597 ( 3.613 2.086 -11.060) 11.821 5.158 ( 22.644 13.074 -1.441) 26.187 7.834 ( -6.348 -3.665 -10.365) 12.695 9.000 ( 6.036 3.485 -1.209) 7.074 11.409 ( -3.375 -1.949 0.657) 3.953 11.447 ( 7.016 4.051 -3.406) 8.788 11.764 ( 44.133 25.480 -29.992) 59.131 16.277 ( 4.333 2.502 8.293) 9.686 17.880 ( -18.511 -10.687 -9.103) 23.232 ======================= Grid point 2295 (614/670) ======================= q-point: ( 0.47 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 29.416 16.983 14.235) 36.829 3.802 ( 10.484 6.053 25.356) 28.097 4.666 ( 5.853 3.379 -11.629) 13.450 5.507 ( 42.850 24.739 11.433) 50.782 5.735 ( 32.517 18.774 -7.851) 38.359 7.763 ( 3.203 1.849 -8.194) 8.990 9.156 ( 8.349 4.820 -1.412) 9.743 11.330 ( -3.725 -2.151 0.768) 4.370 11.411 ( -4.029 -2.326 -3.213) 5.654 12.514 ( 26.033 15.030 -21.501) 36.958 16.408 ( 2.261 1.306 17.818) 18.008 17.376 ( -21.110 -12.188 -18.988) 30.899 ======================= Grid point 2296 (615/670) ======================= q-point: ( 0.53 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 12.805 7.393 15.539) 21.450 4.267 ( 26.589 15.351 14.305) 33.872 4.795 ( 10.466 6.043 -13.828) 18.365 6.222 ( 24.005 13.859 12.185) 30.278 6.531 ( 31.269 18.053 -18.477) 40.559 8.014 ( 23.019 13.290 0.485) 26.585 9.361 ( 10.470 6.045 -1.342) 12.164 11.254 ( -3.162 -1.825 0.767) 3.730 11.299 ( -4.090 -2.362 -3.756) 6.035 12.808 ( 7.197 4.155 -14.454) 16.673 16.310 ( -22.435 -12.953 22.949) 34.608 16.994 ( -2.131 -1.230 -21.449) 21.590 ======================= Grid point 2297 (616/670) ======================= q-point: ( 0.58 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.471 ( 14.986 8.652 6.855) 18.612 4.718 ( 9.700 5.600 7.493) 13.476 5.157 ( 25.648 14.808 -7.769) 30.617 6.701 ( 13.106 7.567 4.944) 15.921 6.930 ( 16.386 9.461 -15.746) 24.616 8.720 ( 33.777 19.501 5.433) 39.379 9.609 ( 11.957 6.903 -1.005) 13.843 11.199 ( -1.938 -1.119 0.590) 2.315 11.253 ( 2.374 1.371 -4.303) 5.102 12.819 ( -0.778 -0.449 -10.009) 10.050 15.670 ( -34.778 -20.079 6.677) 40.710 17.020 ( 3.357 1.938 -2.327) 4.521 ======================= Grid point 2298 (617/670) ======================= q-point: ( 0.63 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( 14.672 8.471 -0.867) 16.964 4.882 ( 5.447 3.145 0.792) 6.339 5.731 ( 25.098 14.490 -0.888) 28.994 6.805 ( 0.987 0.570 -10.356) 10.418 7.313 ( 17.332 10.007 1.740) 20.089 9.351 ( 19.417 11.211 5.157) 23.006 9.879 ( 12.215 7.053 -0.479) 14.113 11.173 ( -0.545 -0.315 0.206) 0.662 11.402 ( 11.462 6.617 -7.670) 15.297 12.803 ( 3.914 2.260 -4.177) 6.155 14.899 ( -34.726 -20.049 2.338) 40.166 17.045 ( -1.873 -1.081 3.993) 4.541 ======================= Grid point 2299 (618/670) ======================= q-point: ( 0.68 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( 4.117 2.377 -0.691) 4.804 5.103 ( 12.158 7.019 -8.055) 16.185 6.230 ( 19.241 11.109 1.224) 22.251 6.765 ( -0.893 -0.516 -9.464) 9.520 7.655 ( 11.978 6.916 5.143) 14.757 9.648 ( 7.936 4.582 3.990) 9.994 10.136 ( 10.616 6.129 0.184) 12.259 11.174 ( 0.577 0.333 -0.392) 0.773 11.579 ( 5.140 2.968 -13.088) 14.371 13.063 ( 19.760 11.409 2.003) 22.905 14.177 ( -29.994 -17.317 3.947) 34.859 16.958 ( -7.033 -4.060 4.676) 9.371 ======================= Grid point 2312 (619/670) ======================= q-point: ( 0.37 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 0.000 14.908 23.496) 27.826 2.728 ( 0.000 45.247 22.635) 50.592 4.168 ( 0.000 2.694 34.815) 34.919 4.580 ( -0.000 3.534 -10.791) 11.355 4.690 ( -0.000 14.777 -2.121) 14.929 8.131 ( -0.000 -24.225 -9.877) 26.161 8.839 ( 0.000 1.738 0.386) 1.780 10.312 ( -0.000 79.334 -28.880) 84.428 11.491 ( 0.000 -1.529 0.038) 1.529 11.496 ( -0.000 -0.223 -0.754) 0.786 16.197 ( 0.000 2.710 5.701) 6.312 18.224 ( -0.000 -10.496 -3.536) 11.075 ======================= Grid point 2313 (620/670) ======================= q-point: ( 0.42 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 19.200 19.727 18.863) 33.371 3.383 ( 13.873 35.993 27.457) 47.348 4.390 ( 11.287 19.047 10.212) 24.382 4.579 ( 0.126 5.948 -9.547) 11.249 4.993 ( 13.973 17.449 5.180) 22.947 7.854 ( -5.880 -8.876 -10.244) 14.775 8.924 ( 5.698 2.994 -0.098) 6.438 11.245 ( 29.502 51.838 -22.082) 63.601 11.443 ( -2.397 -1.779 0.071) 2.986 11.516 ( 4.550 3.825 -7.119) 9.275 16.268 ( 2.611 3.476 6.552) 7.863 17.992 ( -11.164 -14.220 -7.146) 19.440 ======================= Grid point 2314 (621/670) ======================= q-point: ( 0.47 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 24.381 23.614 14.277) 36.822 3.840 ( 5.151 11.152 27.418) 30.044 4.617 ( 2.374 7.102 -10.824) 13.161 5.151 ( 36.442 41.855 -3.268) 55.593 5.477 ( 20.361 17.940 6.561) 27.918 7.728 ( -0.308 0.533 -8.893) 8.914 9.072 ( 7.228 5.485 -0.797) 9.108 11.367 ( -3.281 -2.958 0.498) 4.445 11.425 ( -2.052 -3.275 -2.218) 4.456 12.180 ( 28.186 29.516 -20.681) 45.753 16.395 ( 5.275 2.279 12.110) 13.404 17.551 ( -19.722 -15.030 -13.848) 28.401 ======================= Grid point 2315 (622/670) ======================= q-point: ( 0.53 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 18.583 16.714 13.925) 28.611 4.117 ( 13.195 17.123 16.560) 27.231 4.714 ( 4.434 9.563 -11.848) 15.858 6.024 ( 21.784 17.707 11.296) 30.260 6.142 ( 34.866 30.900 -14.592) 48.820 7.847 ( 12.289 12.616 -2.858) 17.842 9.267 ( 8.696 8.114 -1.141) 11.948 11.270 ( -3.633 -5.384 -0.504) 6.515 11.340 ( -3.257 -1.704 -2.011) 4.191 12.651 ( 12.912 9.735 -13.581) 21.117 16.489 ( -3.624 -11.036 25.384) 27.915 17.038 ( -15.575 -4.872 -25.182) 30.007 ======================= Grid point 2316 (623/670) ======================= q-point: ( 0.58 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 10.958 9.394 9.041) 17.031 4.671 ( 11.253 13.583 12.000) 21.334 4.955 ( 17.011 23.023 -11.869) 30.989 6.550 ( 17.773 11.228 8.052) 22.511 6.712 ( 16.793 14.860 -17.655) 28.540 8.419 ( 29.886 26.202 4.120) 39.959 9.510 ( 9.877 10.490 -1.108) 14.451 11.158 ( -1.293 -6.723 -1.625) 7.037 11.290 ( -2.086 2.301 -1.445) 3.426 12.769 ( 2.328 -0.213 -9.577) 9.858 16.024 ( -29.586 -24.375 7.872) 39.133 16.962 ( 4.378 3.519 -4.687) 7.316 ======================= Grid point 2317 (624/670) ======================= q-point: ( 0.63 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.669 ( 12.136 8.525 1.945) 14.958 4.876 ( 3.473 8.884 1.213) 9.615 5.551 ( 21.182 27.937 -1.102) 35.077 6.748 ( 3.229 1.774 -9.962) 10.621 7.132 ( 18.345 13.968 1.016) 23.080 9.161 ( 24.005 21.693 5.263) 32.780 9.786 ( 10.156 12.269 -0.804) 15.948 11.113 ( 3.446 -5.582 -1.855) 6.817 11.330 ( 3.343 7.479 -3.629) 8.960 12.743 ( 1.506 -1.884 -5.597) 6.094 15.270 ( -33.254 -22.739 0.853) 40.294 17.034 ( 2.217 -2.703 4.614) 5.790 ======================= Grid point 2318 (625/670) ======================= q-point: ( 0.68 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.917 ( 8.686 5.077 -2.737) 10.426 5.028 ( 4.446 10.828 -2.332) 11.935 6.127 ( 15.834 25.964 1.336) 30.441 6.742 ( -0.085 0.404 -9.845) 9.853 7.534 ( 14.047 10.425 4.037) 17.953 9.598 ( 8.658 10.862 4.851) 14.713 10.069 ( 8.944 13.146 -0.339) 15.904 11.121 ( 3.316 -4.394 -1.598) 5.732 11.504 ( 6.652 9.522 -9.163) 14.795 12.850 ( 14.036 3.655 -0.082) 14.504 14.522 ( -31.177 -19.677 1.239) 36.888 16.996 ( -2.609 -7.926 6.180) 10.383 ======================= Grid point 2332 (626/670) ======================= q-point: ( 0.42 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 0.000 26.641 18.742) 32.573 3.721 ( 0.000 29.019 30.264) 41.929 4.539 ( -0.000 34.914 -7.010) 35.611 4.600 ( -0.000 5.712 -10.755) 12.178 5.105 ( 0.000 22.811 13.049) 26.279 7.784 ( -0.000 -6.816 -9.922) 12.037 8.915 ( 0.000 5.498 1.440) 5.683 11.418 ( -0.000 11.678 -2.711) 11.988 11.443 ( 0.000 -3.157 -0.421) 3.185 11.545 ( -0.000 43.819 -20.964) 48.576 16.302 ( 0.000 3.377 7.364) 8.102 17.909 ( -0.000 -16.844 -9.977) 19.577 ======================= Grid point 2333 (627/670) ======================= q-point: ( 0.47 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 15.836 29.064 15.666) 36.619 3.995 ( 0.310 9.699 25.560) 27.340 4.632 ( 0.986 8.127 -11.045) 13.748 5.107 ( 19.038 51.281 -13.450) 56.330 5.467 ( 9.219 25.160 14.447) 30.442 7.715 ( -0.250 1.582 -8.361) 8.513 9.027 ( 4.959 7.283 1.163) 8.887 11.379 ( -2.111 -4.711 -0.172) 5.166 11.405 ( -0.625 -3.981 -1.247) 4.218 12.084 ( 14.464 37.579 -15.943) 43.308 16.379 ( 2.929 0.700 11.995) 12.367 17.612 ( -10.818 -16.178 -15.826) 25.084 ======================= Grid point 2334 (628/670) ======================= q-point: ( 0.53 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( 19.740 27.137 13.055) 36.007 4.175 ( 4.591 11.176 16.249) 20.248 4.721 ( 3.061 11.099 -11.440) 16.230 5.868 ( 22.233 26.768 -2.359) 34.877 6.006 ( 18.060 37.037 0.917) 41.216 7.808 ( 6.917 14.436 -4.112) 16.527 9.217 ( 7.464 9.763 0.352) 12.295 11.269 ( -3.708 -7.358 -0.795) 8.277 11.354 ( -1.163 -2.128 -0.928) 2.597 12.524 ( 11.204 15.485 -9.986) 21.565 16.454 ( 2.396 -11.287 22.274) 25.085 17.181 ( -16.237 -7.174 -24.666) 30.389 ======================= Grid point 2335 (629/670) ======================= q-point: ( 0.58 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( 7.183 10.126 8.307) 14.938 4.663 ( 14.382 19.200 14.341) 27.949 4.923 ( 11.141 25.100 -13.250) 30.491 6.396 ( 17.580 14.250 6.768) 23.620 6.574 ( 14.431 22.935 -13.156) 30.122 8.269 ( 22.018 30.993 1.737) 38.057 9.464 ( 9.005 12.723 -0.205) 15.589 11.122 ( -3.706 -8.602 -1.150) 9.436 11.328 ( -0.735 0.952 -0.751) 1.418 12.694 ( 3.594 1.788 -6.962) 8.036 16.201 ( -17.422 -29.374 13.867) 36.860 16.951 ( -2.177 5.734 -13.300) 14.646 ======================= Grid point 2336 (630/670) ======================= q-point: ( 0.63 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.589 ( 8.936 9.619 2.814) 13.427 4.922 ( 3.764 10.923 1.620) 11.666 5.523 ( 19.812 35.852 -0.746) 40.968 6.671 ( 5.568 3.756 -6.611) 9.424 6.994 ( 16.451 18.463 -0.612) 24.737 9.017 ( 25.093 31.577 3.815) 40.513 9.756 ( 9.612 15.456 -0.397) 18.206 10.999 ( 0.297 -8.284 -2.010) 8.529 11.355 ( 1.232 5.417 -1.244) 5.693 12.685 ( 0.270 -3.217 -4.746) 5.740 15.551 ( -27.558 -26.901 1.441) 38.538 16.975 ( 2.129 -2.292 1.710) 3.565 ======================= Grid point 2337 (631/670) ======================= q-point: ( 0.68 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( 8.469 7.778 -1.500) 11.596 5.087 ( 2.557 12.517 -0.838) 12.803 6.171 ( 15.893 34.653 2.056) 38.179 6.712 ( 0.958 1.427 -8.596) 8.766 7.425 ( 14.542 15.033 2.654) 21.083 9.599 ( 10.975 19.919 4.578) 23.199 10.071 ( 8.941 17.378 -0.316) 19.546 10.974 ( 5.821 -6.924 -3.484) 9.694 11.482 ( 5.476 10.776 -3.612) 12.616 12.684 ( 6.243 -1.754 -1.455) 6.646 14.829 ( -29.224 -22.703 -0.744) 37.014 16.947 ( -0.197 -10.036 5.825) 11.606 ======================= Grid point 2352 (632/670) ======================= q-point: ( 0.47 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 0.000 32.253 15.544) 35.803 4.138 ( 0.000 5.901 17.853) 18.803 4.660 ( -0.000 7.806 -11.019) 13.504 5.409 ( -0.000 48.387 -10.184) 49.447 5.731 ( 0.000 35.208 11.496) 37.037 7.730 ( -0.000 7.970 -6.880) 10.529 9.070 ( 0.000 9.285 2.316) 9.569 11.338 ( 0.000 -6.776 -0.264) 6.782 11.369 ( -0.000 -3.910 -0.919) 4.017 12.271 ( -0.000 30.407 -9.767) 31.937 16.383 ( 0.000 -5.088 15.916) 16.709 17.497 ( -0.000 -13.136 -21.452) 25.154 ======================= Grid point 2353 (633/670) ======================= q-point: ( 0.53 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( 12.560 30.941 14.228) 36.298 4.257 ( 2.216 8.383 10.575) 13.675 4.734 ( 3.203 10.620 -11.863) 16.241 5.876 ( 9.983 30.322 2.545) 32.024 6.179 ( 6.467 38.954 -1.614) 39.520 7.871 ( 4.014 21.203 -4.000) 21.948 9.217 ( 4.714 11.190 2.021) 12.310 11.247 ( -2.573 -7.840 0.169) 8.253 11.332 ( 0.355 -3.071 -0.807) 3.195 12.522 ( 4.478 15.560 -5.111) 16.979 16.354 ( 1.143 -18.250 21.728) 28.399 17.254 ( -8.422 -3.440 -26.798) 28.300 ======================= Grid point 2354 (634/670) ======================= q-point: ( 0.58 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.370 ( 4.019 10.928 5.585) 12.913 4.647 ( 14.895 19.361 14.088) 28.199 4.941 ( 10.834 24.572 -13.171) 29.910 6.317 ( 12.185 17.545 8.150) 22.863 6.599 ( 7.372 26.636 -9.667) 29.279 8.294 ( 14.125 36.343 -0.683) 38.997 9.450 ( 8.002 13.693 1.169) 15.903 11.107 ( -4.541 -8.504 0.295) 9.645 11.325 ( 1.174 -0.362 -0.466) 1.314 12.655 ( 1.952 3.315 -2.969) 4.859 16.139 ( -6.279 -32.775 16.919) 37.415 17.047 ( -7.532 5.946 -19.700) 21.913 ======================= Grid point 2355 (635/670) ======================= q-point: ( 0.63 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( 6.066 10.493 2.032) 12.289 4.949 ( 6.444 10.175 2.163) 12.237 5.539 ( 20.887 37.347 -1.466) 42.816 6.606 ( 6.124 5.759 0.873) 8.452 6.950 ( 11.254 22.343 -3.527) 25.265 8.972 ( 21.097 38.012 0.828) 43.482 9.749 ( 9.843 16.478 0.400) 19.198 10.946 ( -4.283 -8.591 -0.089) 9.599 11.369 ( 2.419 3.948 -0.381) 4.646 12.650 ( -0.975 -2.594 -2.039) 3.440 15.649 ( -16.900 -32.797 4.810) 37.208 16.962 ( -2.996 0.254 -5.041) 5.870 ======================= Grid point 2356 (636/670) ======================= q-point: ( 0.68 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( 6.685 9.305 -0.366) 11.464 5.150 ( 4.685 12.202 -0.280) 13.074 6.236 ( 18.819 36.244 1.307) 40.859 6.688 ( 1.374 2.148 -3.767) 4.549 7.364 ( 13.413 19.753 0.928) 23.895 9.629 ( 15.358 28.444 2.083) 32.392 10.088 ( 10.037 18.625 -0.098) 21.157 10.824 ( 0.603 -8.165 -1.829) 8.389 11.490 ( 4.880 9.492 -0.805) 10.703 12.601 ( 0.458 -3.163 -0.853) 3.308 15.025 ( -22.559 -27.578 -0.725) 35.637 16.878 ( -2.075 -9.126 2.539) 9.697 ======================= Grid point 2372 (637/670) ======================= q-point: ( 0.53 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 0.000 30.369 15.207) 33.963 4.340 ( 0.000 8.720 4.612) 9.865 4.769 ( -0.000 12.484 -12.782) 17.867 6.094 ( 0.000 25.782 8.753) 27.227 6.473 ( -0.000 33.041 -6.221) 33.621 8.080 ( -0.000 32.675 -3.268) 32.838 9.298 ( 0.000 12.461 2.643) 12.739 11.205 ( 0.000 -6.712 2.011) 7.007 11.287 ( -0.000 -3.637 -1.284) 3.858 12.606 ( -0.000 9.640 -1.259) 9.722 16.192 ( 0.000 -28.395 20.243) 34.871 17.231 ( -0.000 2.770 -26.462) 26.606 ======================= Grid point 2373 (638/670) ======================= q-point: ( 0.58 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.448 ( 1.139 11.070 2.016) 11.310 4.655 ( 9.130 16.055 12.425) 22.259 4.964 ( 9.594 26.639 -11.556) 30.582 6.381 ( 4.527 16.546 11.530) 20.669 6.747 ( 2.253 25.457 -8.700) 26.996 8.488 ( 6.946 40.986 -2.686) 41.658 9.476 ( 5.117 14.032 2.170) 15.093 11.115 ( -4.299 -5.662 2.409) 7.506 11.280 ( 2.713 -1.550 -0.392) 3.149 12.669 ( -0.102 2.786 0.525) 2.837 15.923 ( -2.080 -36.040 14.572) 38.930 17.150 ( -5.155 5.509 -20.052) 21.424 ======================= Grid point 2374 (639/670) ======================= q-point: ( 0.63 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.600 ( 3.477 11.317 0.739) 11.863 4.919 ( 8.284 8.493 2.355) 12.096 5.531 ( 20.788 35.536 -2.351) 41.237 6.596 ( 3.671 6.231 7.772) 10.616 7.020 ( 5.735 23.628 -5.117) 24.846 9.048 ( 13.968 38.336 -2.504) 40.878 9.748 ( 9.143 16.101 1.178) 18.553 10.978 ( -6.751 -4.733 2.291) 8.558 11.346 ( 4.279 3.123 0.503) 5.321 12.658 ( -2.187 -0.987 0.873) 2.553 15.524 ( -7.216 -37.196 6.677) 38.473 17.036 ( -6.753 1.463 -10.400) 12.486 ======================= Grid point 2392 (640/670) ======================= q-point: ( 0.58 0.58 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.552 ( -0.000 11.980 -0.299) 11.984 4.733 ( 0.000 8.919 6.752) 11.186 5.127 ( -0.000 32.296 -5.593) 32.777 6.522 ( 0.000 10.441 12.699) 16.440 6.942 ( -0.000 24.175 -7.625) 25.349 8.816 ( -0.000 40.146 -4.097) 40.355 9.576 ( 0.000 14.394 2.290) 14.575 11.152 ( 0.000 0.138 5.576) 5.578 11.218 ( -0.000 -2.506 -1.305) 2.825 12.698 ( 0.000 1.530 2.246) 2.718 15.619 ( 0.000 -38.617 10.106) 39.918 17.180 ( -0.000 3.916 -16.739) 17.191 ======================= Grid point 2393 (641/670) ======================= q-point: (-0.37 -0.42 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( 1.003 12.349 0.304) 12.393 4.874 ( 6.213 7.081 1.773) 9.586 5.554 ( 13.873 32.891 -1.607) 35.733 6.641 ( 1.067 4.266 10.698) 11.566 7.166 ( 2.134 22.971 -5.066) 23.620 9.210 ( 6.487 31.978 -4.759) 32.974 9.774 ( 5.920 15.227 1.566) 16.413 11.088 ( -7.151 0.502 3.378) 7.924 11.298 ( 5.793 4.191 2.703) 7.644 12.705 ( -2.110 1.929 2.293) 3.664 15.248 ( -2.318 -39.010 5.077) 39.407 17.113 ( -4.951 0.184 -11.392) 12.422 ======================= Grid point 2412 (642/670) ======================= q-point: (-0.37 -0.37 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( -0.000 13.673 1.696) 13.777 4.881 ( 0.000 5.783 0.982) 5.865 5.731 ( -0.000 29.814 -0.740) 29.823 6.698 ( 0.000 1.671 10.732) 10.861 7.346 ( -0.000 20.864 -4.492) 21.342 9.403 ( -0.000 22.147 -5.429) 22.803 9.870 ( -0.000 14.526 1.303) 14.585 11.178 ( -0.000 -0.936 -0.770) 1.212 11.316 ( 0.000 10.848 9.611) 14.493 12.774 ( 0.000 7.197 1.782) 7.415 14.900 ( 0.000 -38.844 1.899) 38.891 17.112 ( -0.000 -2.670 -9.425) 9.796 ======================= Grid point 2674 (643/670) ======================= q-point: ( 0.37 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.000 -0.000 22.050) 22.050 2.263 ( 0.000 -0.000 22.050) 22.050 4.334 ( 0.000 -0.000 45.680) 45.680 4.503 ( -0.000 0.000 -10.184) 10.184 4.503 ( -0.000 0.000 -10.184) 10.184 8.836 ( -0.000 0.000 -0.298) 0.298 8.836 ( -0.000 0.000 -0.298) 0.298 8.867 ( -0.000 0.000 -29.636) 29.636 11.502 ( 0.000 -0.000 0.273) 0.273 11.502 ( 0.000 -0.000 0.273) 0.273 16.187 ( 0.000 -0.000 5.102) 5.102 18.330 ( -0.000 0.000 -1.097) 1.097 ======================= Grid point 2675 (644/670) ======================= q-point: ( 0.42 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 15.967 9.218 17.174) 25.196 2.779 ( 36.740 21.212 21.166) 47.410 4.340 ( -1.988 -1.148 15.544) 15.713 4.477 ( 1.350 0.780 -9.344) 9.473 4.754 ( 15.838 9.144 11.164) 21.427 8.050 ( -20.877 -12.053 -10.462) 26.279 8.885 ( 3.511 2.027 -1.031) 4.183 10.131 ( 66.744 38.535 -21.647) 80.052 11.475 ( -2.095 -1.209 0.528) 2.476 11.510 ( 0.135 0.078 -1.053) 1.065 16.231 ( 2.630 1.518 4.596) 5.508 18.195 ( -11.612 -6.704 -2.328) 13.609 ======================= Grid point 2676 (645/670) ======================= q-point: ( 0.47 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 24.836 14.339 11.988) 31.082 3.672 ( 25.747 14.865 28.433) 41.138 4.501 ( 3.345 1.931 -8.411) 9.255 4.561 ( 27.500 15.877 -4.836) 32.120 5.207 ( 21.311 12.304 10.342) 26.692 7.737 ( -6.119 -3.533 -9.267) 11.653 8.986 ( 5.919 3.418 -1.648) 7.031 11.396 ( 28.119 16.234 -7.995) 33.438 11.416 ( -3.309 -1.911 0.778) 3.900 11.542 ( 23.936 13.819 -14.506) 31.214 16.345 ( 6.451 3.724 5.657) 9.353 17.809 ( -21.526 -12.428 -5.348) 25.424 ======================= Grid point 2677 (646/670) ======================= q-point: ( 0.53 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 29.456 17.006 8.506) 35.060 4.031 ( 6.589 3.804 21.101) 22.430 4.568 ( 4.991 2.882 -7.774) 9.677 5.499 ( 48.762 28.153 -10.075) 57.200 5.753 ( 24.577 14.189 8.338) 29.578 7.695 ( 5.316 3.069 -5.494) 8.238 9.139 ( 8.377 4.836 -1.999) 9.877 11.339 ( -3.707 -2.140 0.978) 4.390 11.381 ( -4.576 -2.642 -2.829) 5.994 12.339 ( 28.377 16.383 -14.328) 35.762 16.557 ( 9.455 5.459 11.670) 15.981 17.225 ( -27.846 -16.077 -10.842) 33.932 ======================= Grid point 2678 (647/670) ======================= q-point: ( 0.58 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 9.532 5.504 11.701) 16.064 4.389 ( 29.448 17.002 9.307) 35.255 4.672 ( 7.313 4.222 -9.896) 13.010 6.326 ( 24.744 14.286 7.823) 29.623 6.358 ( 27.390 15.813 -15.514) 35.227 8.025 ( 26.427 15.258 1.876) 30.573 9.345 ( 10.646 6.146 -2.017) 12.457 11.263 ( -4.338 -2.505 -3.629) 6.186 11.264 ( -3.219 -1.858 1.072) 3.868 12.690 ( 8.397 4.848 -9.728) 13.735 16.469 ( -33.230 -19.185 4.576) 38.643 16.859 ( 9.676 5.587 -1.243) 11.242 ======================= Grid point 2679 (648/670) ======================= q-point: ( 0.63 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( 12.084 6.977 4.500) 14.661 4.764 ( 5.648 3.261 1.046) 6.605 5.106 ( 29.780 17.193 -1.805) 34.434 6.656 ( 7.142 4.123 -13.128) 15.504 6.878 ( 22.503 12.992 4.171) 26.317 8.771 ( 34.234 19.765 5.023) 39.848 9.595 ( 12.246 7.070 -1.750) 14.248 11.206 ( 1.561 0.901 -5.327) 5.624 11.207 ( -2.093 -1.209 1.012) 2.620 12.740 ( 0.522 0.302 -6.271) 6.300 15.686 ( -35.538 -20.518 -3.129) 41.154 17.052 ( 4.883 2.819 8.810) 10.460 ======================= Grid point 2694 (649/670) ======================= q-point: ( 0.42 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 0.000 14.310 18.255) 23.195 2.921 ( 0.000 46.577 16.410) 49.383 4.353 ( 0.000 -3.635 3.626) 5.134 4.481 ( -0.000 3.272 -9.345) 9.901 4.784 ( 0.000 15.060 20.336) 25.306 8.028 ( -0.000 -23.569 -10.797) 25.924 8.845 ( 0.000 2.164 0.723) 2.282 10.080 ( -0.000 75.974 -18.721) 78.246 11.490 ( 0.000 -1.691 -0.135) 1.696 11.492 ( -0.000 -1.098 -0.187) 1.114 16.245 ( 0.000 2.998 3.986) 4.988 18.196 ( -0.000 -12.627 -2.368) 12.848 ======================= Grid point 2695 (650/670) ======================= q-point: ( 0.47 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 16.918 19.808 13.343) 29.268 3.629 ( 17.933 42.361 22.535) 51.224 4.384 ( 6.771 7.406 -7.677) 12.635 4.497 ( 1.703 6.466 -7.740) 10.228 5.104 ( 11.616 17.105 14.529) 25.271 7.759 ( -5.624 -8.604 -8.790) 13.525 8.924 ( 4.701 3.687 -0.060) 5.975 11.053 ( 33.710 58.654 -15.776) 69.467 11.445 ( -2.190 -2.339 0.339) 3.222 11.479 ( -0.002 -2.150 -2.133) 3.028 16.321 ( 3.280 4.987 4.236) 7.320 17.936 ( -11.966 -17.574 -4.358) 21.703 ======================= Grid point 2696 (651/670) ======================= q-point: ( 0.53 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 22.859 24.555 7.992) 34.487 4.081 ( 2.139 7.104 21.419) 22.667 4.528 ( 2.879 6.103 -6.764) 9.555 5.058 ( 37.982 41.248 -12.178) 57.379 5.571 ( 18.413 18.490 9.383) 27.730 7.655 ( 0.735 1.470 -5.758) 5.988 9.063 ( 6.513 6.141 -1.078) 9.016 11.373 ( -3.241 -3.375 0.694) 4.730 11.405 ( -2.625 -3.387 -1.763) 4.633 12.022 ( 29.283 32.031 -11.831) 44.983 16.490 ( 8.018 6.905 6.931) 12.649 17.447 ( -21.708 -20.617 -7.098) 30.768 ======================= Grid point 2697 (652/670) ======================= q-point: ( 0.58 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 22.037 21.683 5.383) 31.381 4.252 ( 7.954 12.042 10.362) 17.767 4.625 ( 3.423 7.132 -4.897) 9.304 6.010 ( 32.153 29.342 -11.862) 45.116 6.114 ( 21.866 17.888 6.853) 29.070 7.831 ( 15.086 14.583 -0.351) 20.985 9.254 ( 8.319 8.696 -1.622) 12.143 11.263 ( -4.063 -6.228 -1.015) 7.505 11.327 ( -3.210 -0.959 -0.656) 3.414 12.547 ( 13.262 11.215 -7.668) 18.986 16.737 ( 3.313 -5.344 24.745) 25.531 16.800 ( -21.079 -10.832 -22.732) 32.838 ======================= Grid point 2698 (653/670) ======================= q-point: ( 0.63 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.434 ( 9.175 7.398 4.518) 12.622 4.744 ( 3.479 7.772 -1.805) 8.705 4.881 ( 24.435 29.326 1.398) 38.197 6.512 ( 12.159 10.522 -14.503) 21.654 6.667 ( 21.416 15.628 7.229) 27.480 8.457 ( 31.199 26.633 3.644) 41.182 9.496 ( 9.766 11.017 -1.736) 14.824 11.139 ( -1.695 -6.728 -2.284) 7.304 11.281 ( -2.516 2.090 -0.482) 3.307 12.696 ( 2.655 0.744 -5.186) 5.873 16.030 ( -32.244 -23.090 -6.308) 40.157 16.993 ( 8.324 2.029 10.796) 13.783 ======================= Grid point 2714 (654/670) ======================= q-point: ( 0.47 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 0.000 26.241 13.861) 29.677 3.997 ( 0.000 35.727 26.238) 44.326 4.404 ( -0.000 24.890 -18.391) 30.948 4.505 ( -0.000 5.133 -8.429) 9.869 5.249 ( 0.000 22.032 13.612) 25.898 7.696 ( -0.000 -6.213 -7.550) 9.778 8.931 ( 0.000 5.882 1.806) 6.153 11.342 ( -0.000 59.489 -10.563) 60.419 11.438 ( -0.000 -3.341 -0.624) 3.398 11.446 ( -0.000 -1.878 -1.704) 2.536 16.361 ( 0.000 6.239 4.637) 7.773 17.828 ( -0.000 -21.837 -6.557) 22.800 ======================= Grid point 2715 (655/670) ======================= q-point: ( 0.53 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 14.352 29.645 10.315) 34.514 4.195 ( -0.828 3.130 13.800) 14.175 4.538 ( 1.289 7.649 -7.703) 10.932 4.986 ( 20.268 54.036 -9.193) 58.440 5.586 ( 8.173 24.830 8.794) 27.580 7.647 ( 0.305 2.446 -5.063) 5.631 9.039 ( 4.085 7.801 1.277) 8.898 11.379 ( -2.094 -5.431 0.300) 5.829 11.394 ( -0.829 -3.590 -0.922) 3.798 11.973 ( 14.596 40.566 -6.862) 43.654 16.478 ( 4.210 6.700 7.791) 11.105 17.483 ( -11.321 -23.655 -10.308) 28.177 ======================= Grid point 2716 (656/670) ======================= q-point: ( 0.58 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( 18.426 28.792 5.880) 34.685 4.287 ( 4.592 9.251 6.196) 12.044 4.633 ( 3.232 8.435 -5.437) 10.543 5.827 ( 24.583 38.408 -3.158) 45.711 6.034 ( 13.544 25.176 2.294) 28.679 7.780 ( 8.581 15.807 -1.542) 18.052 9.219 ( 6.625 10.380 0.124) 12.314 11.264 ( -4.037 -7.414 -0.265) 8.446 11.348 ( -1.149 -1.947 -0.329) 2.285 12.458 ( 10.743 17.284 -3.401) 20.633 16.663 ( 7.239 -1.851 19.012) 20.428 16.956 ( -19.447 -17.413 -19.825) 32.778 ======================= Grid point 2717 (657/670) ======================= q-point: ( 0.63 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( 6.649 8.590 1.748) 11.002 4.766 ( 3.688 10.240 -4.338) 11.716 4.825 ( 21.592 34.175 4.512) 40.676 6.400 ( 12.034 17.196 -7.517) 22.295 6.523 ( 17.957 20.394 4.565) 27.554 8.284 ( 23.604 31.261 1.318) 39.194 9.459 ( 8.469 13.317 -0.726) 15.799 11.112 ( -4.289 -8.368 -0.812) 9.438 11.323 ( -0.847 0.896 -0.133) 1.240 12.650 ( 2.967 2.849 -2.050) 4.596 16.253 ( -24.951 -28.255 -4.335) 37.944 16.910 ( 7.088 3.917 6.069) 10.120 ======================= Grid point 2734 (658/670) ======================= q-point: ( 0.53 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 0.000 32.859 10.451) 34.481 4.244 ( 0.000 2.269 3.084) 3.829 4.567 ( -0.000 6.562 -7.468) 9.941 5.352 ( -0.000 54.639 -0.700) 54.644 5.812 ( 0.000 29.964 4.747) 30.338 7.676 ( -0.000 8.830 -3.751) 9.593 9.094 ( 0.000 9.483 2.482) 9.803 11.342 ( 0.000 -6.420 0.982) 6.495 11.359 ( -0.000 -4.071 -1.055) 4.205 12.215 ( -0.000 32.840 -1.755) 32.887 16.525 ( 0.000 2.912 12.693) 13.023 17.307 ( -0.000 -22.328 -16.858) 27.977 ======================= Grid point 2735 (659/670) ======================= q-point: ( 0.58 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( 11.127 31.959 7.793) 34.726 4.307 ( 3.755 8.232 -0.434) 9.058 4.637 ( 3.079 7.909 -6.874) 10.922 5.918 ( 10.281 37.908 6.756) 39.854 6.160 ( 4.761 31.233 -2.832) 31.721 7.840 ( 4.775 21.879 -2.208) 22.502 9.236 ( 4.077 11.415 1.929) 12.273 11.253 ( -3.043 -7.274 0.972) 7.944 11.326 ( 0.629 -3.110 -0.375) 3.195 12.504 ( 3.925 16.918 1.284) 17.415 16.571 ( 2.282 -16.527 22.771) 28.229 16.994 ( -8.469 -5.960 -26.445) 28.401 ======================= Grid point 2754 (660/670) ======================= q-point: (-0.42 -0.42 -0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( -0.000 8.746 -4.749) 9.952 4.392 ( 0.000 34.217 9.373) 35.478 4.659 ( -0.000 8.253 -7.785) 11.345 6.203 ( 0.000 29.294 13.620) 32.305 6.409 ( -0.000 29.399 -7.149) 30.256 8.049 ( -0.000 32.581 -2.931) 32.713 9.323 ( 0.000 12.420 2.468) 12.663 11.230 ( 0.000 -5.707 3.064) 6.478 11.275 ( -0.000 -3.711 -1.250) 3.916 12.621 ( 0.000 10.147 4.334) 11.033 16.381 ( 0.000 -33.736 17.412) 37.965 16.987 ( -0.000 7.469 -22.377) 23.590 ======================= Grid point 3057 (661/670) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 0.000 -0.000 14.759) 14.759 2.444 ( 0.000 -0.000 14.759) 14.759 4.414 ( -0.000 0.000 -7.582) 7.582 4.414 ( -0.000 0.000 -7.582) 7.582 4.715 ( 0.000 -0.000 31.618) 31.618 8.611 ( -0.000 0.000 -22.080) 22.080 8.833 ( -0.000 0.000 -0.190) 0.190 8.833 ( -0.000 0.000 -0.190) 0.190 11.504 ( 0.000 -0.000 0.176) 0.176 11.504 ( 0.000 -0.000 0.176) 0.176 16.228 ( 0.000 -0.000 3.258) 3.258 18.321 ( -0.000 0.000 -0.728) 0.728 ======================= Grid point 3058 (662/670) ======================= q-point: ( 0.47 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 14.651 8.459 9.143) 19.230 2.955 ( 38.523 22.241 14.498) 46.785 4.372 ( -1.589 -0.917 -3.413) 3.875 4.402 ( 1.476 0.852 -5.491) 5.750 4.927 ( 10.884 6.284 18.200) 22.118 7.955 ( -20.028 -11.563 -8.194) 24.535 8.875 ( 3.174 1.833 -1.135) 3.837 9.971 ( 64.429 37.198 -11.223) 75.238 11.480 ( -1.963 -1.133 0.500) 2.321 11.501 ( -0.667 -0.385 -0.736) 1.066 16.266 ( 2.778 1.604 2.612) 4.137 18.178 ( -12.428 -7.175 -1.179) 14.399 ======================= Grid point 3059 (663/670) ======================= q-point: ( 0.53 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 23.958 13.832 3.601) 27.898 3.938 ( 29.782 17.194 26.055) 43.145 4.443 ( 3.328 1.921 -3.078) 4.924 4.447 ( 22.242 12.841 -16.699) 30.634 5.308 ( 19.269 11.125 8.106) 23.681 7.665 ( -5.529 -3.192 -4.951) 8.080 8.968 ( 5.706 3.295 -1.913) 6.861 11.309 ( 51.123 29.516 -7.461) 59.501 11.424 ( -3.198 -1.846 0.813) 3.781 11.467 ( 0.800 0.462 -3.590) 3.707 16.385 ( 7.482 4.320 2.348) 8.953 17.776 ( -22.745 -13.132 -1.367) 26.299 ======================= Grid point 3060 (664/670) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 29.349 16.945 -1.177) 33.910 4.197 ( 2.968 1.714 12.014) 12.493 4.528 ( 4.711 2.720 -0.006) 5.440 5.396 ( 48.724 28.131 -8.953) 56.969 5.818 ( 24.399 14.087 3.542) 28.395 7.662 ( 7.064 4.078 -1.002) 8.218 9.117 ( 8.329 4.809 -2.371) 9.906 11.349 ( -3.637 -2.100 1.077) 4.335 11.357 ( -5.103 -2.946 -2.062) 6.242 12.238 ( 29.142 16.825 -6.412) 34.256 16.606 ( 10.743 6.203 -2.406) 12.636 17.192 ( -28.460 -16.431 5.009) 33.242 ======================= Grid point 3077 (665/670) ======================= q-point: ( 0.47 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 0.000 14.617 10.564) 18.035 3.037 ( 0.000 47.481 6.996) 47.994 4.341 ( -0.000 -2.977 -2.287) 3.754 4.406 ( -0.000 2.766 -5.730) 6.363 4.975 ( 0.000 10.448 14.961) 18.248 7.937 ( -0.000 -22.553 -6.926) 23.592 8.853 ( 0.000 2.665 0.975) 2.838 9.947 ( -0.000 73.737 -8.677) 74.246 11.488 ( -0.000 -1.881 -0.293) 1.904 11.492 ( 0.000 -1.387 0.187) 1.400 16.274 ( 0.000 3.190 1.896) 3.711 18.178 ( 0.000 -13.956 -1.199) 14.008 ======================= Grid point 3078 (666/670) ======================= q-point: ( 0.53 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 14.119 20.960 4.933) 25.749 3.801 ( 25.890 50.741 10.946) 58.006 4.302 ( 1.146 -1.747 -6.515) 6.842 4.438 ( 2.045 4.981 -3.567) 6.459 5.217 ( 9.523 15.673 6.698) 19.524 7.695 ( -5.077 -8.342 -3.596) 10.406 8.923 ( 3.466 4.461 -0.020) 5.649 10.949 ( 34.335 59.552 -5.406) 68.953 11.448 ( -1.821 -2.496 0.343) 3.108 11.465 ( -1.162 -2.867 -0.801) 3.195 16.349 ( 3.546 5.898 1.470) 7.037 17.908 ( -11.941 -19.616 -1.474) 23.012 ======================= Grid point 3079 (667/670) ======================= q-point: ( 0.58 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 20.725 26.068 -1.447) 33.334 4.230 ( -0.496 1.147 7.187) 7.294 4.495 ( 4.619 5.337 0.429) 7.071 4.964 ( 39.476 44.716 -5.045) 59.860 5.625 ( 17.419 18.586 0.975) 25.491 7.623 ( 1.681 1.885 -0.406) 2.558 9.051 ( 5.643 6.818 -1.246) 8.937 11.380 ( -3.599 -4.172 0.532) 5.536 11.392 ( -2.643 -2.886 -0.784) 3.992 11.952 ( 29.159 33.163 -2.516) 44.231 16.521 ( 7.591 9.066 -0.752) 11.848 17.421 ( -20.165 -23.426 1.969) 30.972 ======================= Grid point 3097 (668/670) ======================= q-point: ( 0.53 0.53 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 0.000 26.746 6.013) 27.414 4.160 ( -0.000 58.633 -12.317) 59.912 4.273 ( 0.000 1.299 11.526) 11.599 4.445 ( -0.000 4.360 -3.477) 5.577 5.335 ( 0.000 21.126 3.220) 21.370 7.649 ( -0.000 -5.960 -1.789) 6.222 8.949 ( 0.000 6.259 1.969) 6.562 11.279 ( -0.000 62.602 -1.719) 62.625 11.431 ( -0.000 -3.526 -0.759) 3.607 11.446 ( 0.000 -3.540 1.105) 3.709 16.390 ( 0.000 8.190 1.268) 8.288 17.783 ( 0.000 -25.200 -2.713) 25.346 ======================= Grid point 3440 (669/670) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.000 -0.000 5.267) 5.267 2.543 ( 0.000 -0.000 5.267) 5.267 4.362 ( -0.000 0.000 -2.865) 2.865 4.362 ( -0.000 0.000 -2.865) 2.865 4.930 ( 0.000 -0.000 11.566) 11.566 8.458 ( -0.000 0.000 -8.402) 8.402 8.832 ( -0.000 0.000 -0.065) 0.065 8.832 ( -0.000 0.000 -0.065) 0.065 11.505 ( 0.000 -0.000 0.061) 0.061 11.505 ( 0.000 -0.000 0.061) 0.061 16.250 ( 0.000 -0.000 1.120) 1.120 18.316 ( -0.000 0.000 -0.255) 0.255 ======================= Grid point 3441 (670/670) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 13.507 7.798 -0.791) 15.616 3.050 ( 40.465 23.362 4.496) 46.941 4.338 ( -1.970 -1.138 -2.056) 3.067 4.376 ( 1.864 1.076 0.183) 2.160 5.037 ( 8.244 4.760 2.884) 9.947 7.907 ( -19.308 -11.148 -1.102) 22.322 8.863 ( 2.758 1.592 -1.117) 3.374 9.911 ( 63.350 36.575 -1.172) 73.160 11.485 ( -1.801 -1.040 0.419) 2.122 11.495 ( -1.096 -0.633 -0.476) 1.352 16.281 ( 2.826 1.632 0.376) 3.285 18.173 ( -12.582 -7.264 0.004) 14.528 =================== 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 3/82308 10.0 9115.762 9115.762 13741.728 -0.000 0.000 0.000 3/82308 20.0 3582.518 3582.518 6622.916 -0.000 0.000 0.000 3/82308 30.0 1203.336 1203.336 1435.267 -0.000 0.000 0.000 3/82308 40.0 499.724 499.724 447.478 -0.000 0.000 0.000 3/82308 50.0 267.780 267.780 203.551 -0.000 0.000 0.000 3/82308 60.0 168.967 168.967 115.827 -0.000 0.000 0.000 3/82308 70.0 118.310 118.310 75.672 -0.000 0.000 0.000 3/82308 80.0 88.963 88.963 54.180 -0.000 0.000 0.000 3/82308 90.0 70.426 70.426 41.363 -0.000 0.000 0.000 3/82308 100.0 57.929 57.929 33.093 -0.000 0.000 0.000 3/82308 110.0 49.063 49.063 27.428 -0.000 0.000 0.000 3/82308 120.0 42.509 42.509 23.361 -0.000 0.000 0.000 3/82308 130.0 37.497 37.497 20.329 -0.000 0.000 0.000 3/82308 140.0 33.556 33.556 17.997 -0.000 0.000 0.000 3/82308 150.0 30.384 30.384 16.155 -0.000 0.000 0.000 3/82308 160.0 27.779 27.779 14.669 -0.000 0.000 0.000 3/82308 170.0 25.603 25.603 13.446 -0.000 0.000 0.000 3/82308 180.0 23.758 23.758 12.422 -0.000 0.000 0.000 3/82308 190.0 22.174 22.174 11.554 -0.000 0.000 0.000 3/82308 200.0 20.799 20.799 10.807 -0.000 0.000 0.000 3/82308 210.0 19.593 19.593 10.159 -0.000 0.000 0.000 3/82308 220.0 18.527 18.527 9.589 -0.000 0.000 0.000 3/82308 230.0 17.577 17.577 9.085 -0.000 0.000 0.000 3/82308 240.0 16.725 16.725 8.635 -0.000 0.000 0.000 3/82308 250.0 15.956 15.956 8.231 -0.000 0.000 0.000 3/82308 260.0 15.258 15.258 7.866 -0.000 0.000 0.000 3/82308 270.0 14.622 14.622 7.534 -0.000 0.000 0.000 3/82308 280.0 14.039 14.039 7.231 -0.000 0.000 0.000 3/82308 290.0 13.502 13.502 6.953 -0.000 0.000 0.000 3/82308 300.0 13.007 13.007 6.697 -0.000 0.000 0.000 3/82308 310.0 12.549 12.549 6.460 -0.000 0.000 0.000 3/82308 320.0 12.122 12.122 6.240 -0.000 0.000 0.000 3/82308 330.0 11.725 11.725 6.035 -0.000 0.000 0.000 3/82308 340.0 11.354 11.354 5.844 -0.000 0.000 0.000 3/82308 350.0 11.007 11.007 5.666 -0.000 0.000 0.000 3/82308 360.0 10.681 10.681 5.498 -0.000 0.000 0.000 3/82308 370.0 10.374 10.374 5.340 -0.000 0.000 0.000 3/82308 380.0 10.085 10.085 5.192 -0.000 0.000 0.000 3/82308 390.0 9.812 9.812 5.052 -0.000 0.000 0.000 3/82308 400.0 9.554 9.554 4.919 -0.000 0.000 0.000 3/82308 410.0 9.309 9.309 4.794 -0.000 0.000 0.000 3/82308 420.0 9.077 9.077 4.675 -0.000 0.000 0.000 3/82308 430.0 8.856 8.856 4.561 -0.000 0.000 0.000 3/82308 440.0 8.647 8.647 4.454 -0.000 0.000 0.000 3/82308 450.0 8.447 8.447 4.351 -0.000 0.000 0.000 3/82308 460.0 8.256 8.256 4.254 -0.000 0.000 0.000 3/82308 470.0 8.074 8.074 4.160 -0.000 0.000 0.000 3/82308 480.0 7.900 7.900 4.071 -0.000 0.000 0.000 3/82308 490.0 7.733 7.733 3.985 -0.000 0.000 0.000 3/82308 500.0 7.573 7.573 3.903 -0.000 0.000 0.000 3/82308 510.0 7.420 7.420 3.825 -0.000 0.000 0.000 3/82308 520.0 7.273 7.273 3.750 -0.000 0.000 0.000 3/82308 530.0 7.132 7.132 3.677 -0.000 0.000 0.000 3/82308 540.0 6.997 6.997 3.607 -0.000 0.000 0.000 3/82308 550.0 6.866 6.866 3.540 -0.000 0.000 0.000 3/82308 560.0 6.740 6.740 3.476 -0.000 0.000 0.000 3/82308 570.0 6.619 6.619 3.414 -0.000 0.000 0.000 3/82308 580.0 6.503 6.503 3.354 -0.000 0.000 0.000 3/82308 590.0 6.390 6.390 3.296 -0.000 0.000 0.000 3/82308 600.0 6.281 6.281 3.240 -0.000 0.000 0.000 3/82308 610.0 6.176 6.176 3.186 -0.000 0.000 0.000 3/82308 620.0 6.074 6.074 3.134 -0.000 0.000 0.000 3/82308 630.0 5.976 5.976 3.083 -0.000 0.000 0.000 3/82308 640.0 5.881 5.881 3.034 -0.000 0.000 0.000 3/82308 650.0 5.789 5.789 2.987 -0.000 0.000 0.000 3/82308 660.0 5.699 5.699 2.941 -0.000 0.000 0.000 3/82308 670.0 5.613 5.613 2.897 -0.000 0.000 0.000 3/82308 680.0 5.529 5.529 2.854 -0.000 0.000 0.000 3/82308 690.0 5.448 5.448 2.812 -0.000 0.000 0.000 3/82308 700.0 5.369 5.369 2.771 -0.000 0.000 0.000 3/82308 710.0 5.292 5.292 2.732 -0.000 0.000 0.000 3/82308 720.0 5.217 5.217 2.693 -0.000 0.000 0.000 3/82308 730.0 5.145 5.145 2.656 -0.000 0.000 0.000 3/82308 740.0 5.074 5.074 2.620 -0.000 0.000 0.000 3/82308 750.0 5.006 5.006 2.584 -0.000 0.000 0.000 3/82308 760.0 4.939 4.939 2.550 -0.000 0.000 0.000 3/82308 770.0 4.874 4.874 2.517 -0.000 0.000 0.000 3/82308 780.0 4.811 4.811 2.484 -0.000 0.000 0.000 3/82308 790.0 4.749 4.749 2.452 -0.000 0.000 0.000 3/82308 800.0 4.689 4.689 2.422 -0.000 0.000 0.000 3/82308 810.0 4.631 4.631 2.391 -0.000 0.000 0.000 3/82308 820.0 4.573 4.573 2.362 -0.000 0.000 0.000 3/82308 830.0 4.518 4.518 2.333 -0.000 0.000 0.000 3/82308 840.0 4.463 4.463 2.305 -0.000 0.000 0.000 3/82308 850.0 4.410 4.410 2.278 -0.000 0.000 0.000 3/82308 860.0 4.359 4.359 2.251 -0.000 0.000 0.000 3/82308 870.0 4.308 4.308 2.225 -0.000 0.000 0.000 3/82308 880.0 4.259 4.259 2.200 -0.000 0.000 0.000 3/82308 890.0 4.210 4.210 2.175 -0.000 0.000 0.000 3/82308 900.0 4.163 4.163 2.151 -0.000 0.000 0.000 3/82308 910.0 4.117 4.117 2.127 -0.000 0.000 0.000 3/82308 920.0 4.072 4.072 2.104 -0.000 0.000 0.000 3/82308 930.0 4.028 4.028 2.081 -0.000 0.000 0.000 3/82308 940.0 3.984 3.984 2.059 -0.000 0.000 0.000 3/82308 950.0 3.942 3.942 2.037 -0.000 0.000 0.000 3/82308 960.0 3.901 3.901 2.015 -0.000 0.000 0.000 3/82308 970.0 3.860 3.860 1.994 -0.000 0.000 0.000 3/82308 980.0 3.821 3.821 1.974 -0.000 0.000 0.000 3/82308 990.0 3.782 3.782 1.954 -0.000 0.000 0.000 3/82308 1000.0 3.744 3.744 1.934 -0.000 0.000 0.000 3/82308 Thermal conductivity related properties were written into "kappa-m191919.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|