----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:13:48]------------------------- Compiled with OpenMP support (max 48 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 1.805925834175546 1.042651766497749 6.525176966666660 b -1.805925834175542 1.042651766497749 6.525176966666660 c 0.000000000000002 -2.085303532995500 6.525176966666660 Atomic positions (fractional): *1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 *2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 *3 Ca 0.77093824647648 0.77093824647648 0.77093824647648 40.078 4 Ca 0.22906175352352 0.22906175352352 0.22906175352352 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.611851668351088 0.000000000000000 0.000000000000000 b -1.805925834175544 3.127955299493249 0.000000000000000 c 0.000000000000000 0.000000000000000 19.575530900000000 Atomic positions (fractional): *1 N 0.66666666666667 0.33333333333333 0.83333333333333 14.007 > 1 2 N 0.33333333333333 0.66666666666667 0.16666666666667 14.007 > 1 3 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 *4 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 2 5 Cl 0.66666666666667 0.33333333333333 0.33333333333333 35.453 > 2 6 Cl 0.33333333333333 0.66666666666667 0.66666666666667 35.453 > 2 *7 Ca 0.00000000000000 0.00000000000000 0.77093824647648 40.078 > 3 8 Ca 0.33333333333333 0.66666666666667 0.89572842019019 40.078 > 4 9 Ca 0.66666666666667 0.33333333333333 0.10427157980981 40.078 > 3 10 Ca 0.00000000000000 0.00000000000000 0.22906175352352 40.078 > 4 11 Ca 0.33333333333333 0.66666666666667 0.43760491314315 40.078 > 3 12 Ca 0.66666666666667 0.33333333333333 0.56239508685685 40.078 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.835555005053264 0.000000000000000 0.000000000000000 b -5.417777502526632 9.383865898479748 0.000000000000000 c 0.000000000000000 0.000000000000000 19.575530900000000 Atomic positions (fractional): *1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 *28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 2 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 2 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 2 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 2 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 2 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 2 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 2 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 2 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 2 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 2 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 2 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 2 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 2 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 2 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 2 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 2 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 2 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 2 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 2 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 2 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 2 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 2 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 2 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 2 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 2 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 2 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 2 *55 Ca 0.00000000000000 0.00000000000000 0.77093824647648 40.078 > 3 56 Ca 0.33333333333333 0.00000000000000 0.77093824647648 40.078 > 3 57 Ca 0.66666666666667 0.00000000000000 0.77093824647648 40.078 > 3 58 Ca 0.00000000000000 0.33333333333333 0.77093824647648 40.078 > 3 59 Ca 0.33333333333333 0.33333333333333 0.77093824647648 40.078 > 3 60 Ca 0.66666666666667 0.33333333333333 0.77093824647648 40.078 > 3 61 Ca 0.00000000000000 0.66666666666667 0.77093824647648 40.078 > 3 62 Ca 0.33333333333333 0.66666666666667 0.77093824647648 40.078 > 3 63 Ca 0.66666666666667 0.66666666666667 0.77093824647648 40.078 > 3 64 Ca 0.11111111111111 0.22222222222222 0.89572842019019 40.078 > 4 65 Ca 0.44444444444444 0.22222222222222 0.89572842019019 40.078 > 4 66 Ca 0.77777777777778 0.22222222222222 0.89572842019019 40.078 > 4 67 Ca 0.11111111111111 0.55555555555556 0.89572842019019 40.078 > 4 68 Ca 0.44444444444444 0.55555555555556 0.89572842019019 40.078 > 4 69 Ca 0.77777777777778 0.55555555555556 0.89572842019019 40.078 > 4 70 Ca 0.11111111111111 0.88888888888889 0.89572842019019 40.078 > 4 71 Ca 0.44444444444444 0.88888888888889 0.89572842019019 40.078 > 4 72 Ca 0.77777777777778 0.88888888888889 0.89572842019019 40.078 > 4 73 Ca 0.22222222222222 0.11111111111111 0.10427157980981 40.078 > 3 74 Ca 0.55555555555556 0.11111111111111 0.10427157980981 40.078 > 3 75 Ca 0.88888888888889 0.11111111111111 0.10427157980981 40.078 > 3 76 Ca 0.22222222222222 0.44444444444444 0.10427157980981 40.078 > 3 77 Ca 0.55555555555556 0.44444444444444 0.10427157980981 40.078 > 3 78 Ca 0.88888888888889 0.44444444444444 0.10427157980981 40.078 > 3 79 Ca 0.22222222222222 0.77777777777778 0.10427157980981 40.078 > 3 80 Ca 0.55555555555556 0.77777777777778 0.10427157980981 40.078 > 3 81 Ca 0.88888888888889 0.77777777777778 0.10427157980981 40.078 > 3 82 Ca 0.00000000000000 0.00000000000000 0.22906175352352 40.078 > 4 83 Ca 0.33333333333333 0.00000000000000 0.22906175352352 40.078 > 4 84 Ca 0.66666666666667 0.00000000000000 0.22906175352352 40.078 > 4 85 Ca 0.00000000000000 0.33333333333333 0.22906175352352 40.078 > 4 86 Ca 0.33333333333333 0.33333333333333 0.22906175352352 40.078 > 4 87 Ca 0.66666666666667 0.33333333333333 0.22906175352352 40.078 > 4 88 Ca 0.00000000000000 0.66666666666667 0.22906175352352 40.078 > 4 89 Ca 0.33333333333333 0.66666666666667 0.22906175352352 40.078 > 4 90 Ca 0.66666666666667 0.66666666666667 0.22906175352352 40.078 > 4 91 Ca 0.11111111111111 0.22222222222222 0.43760491314315 40.078 > 3 92 Ca 0.44444444444444 0.22222222222222 0.43760491314315 40.078 > 3 93 Ca 0.77777777777778 0.22222222222222 0.43760491314315 40.078 > 3 94 Ca 0.11111111111111 0.55555555555556 0.43760491314315 40.078 > 3 95 Ca 0.44444444444444 0.55555555555556 0.43760491314315 40.078 > 3 96 Ca 0.77777777777778 0.55555555555556 0.43760491314315 40.078 > 3 97 Ca 0.11111111111111 0.88888888888889 0.43760491314315 40.078 > 3 98 Ca 0.44444444444444 0.88888888888889 0.43760491314315 40.078 > 3 99 Ca 0.77777777777778 0.88888888888889 0.43760491314315 40.078 > 3 100 Ca 0.22222222222222 0.11111111111111 0.56239508685685 40.078 > 4 101 Ca 0.55555555555556 0.11111111111111 0.56239508685685 40.078 > 4 102 Ca 0.88888888888889 0.11111111111111 0.56239508685685 40.078 > 4 103 Ca 0.22222222222222 0.44444444444444 0.56239508685685 40.078 > 4 104 Ca 0.55555555555556 0.44444444444444 0.56239508685685 40.078 > 4 105 Ca 0.88888888888889 0.44444444444444 0.56239508685685 40.078 > 4 106 Ca 0.22222222222222 0.77777777777778 0.56239508685685 40.078 > 4 107 Ca 0.55555555555556 0.77777777777778 0.56239508685685 40.078 > 4 108 Ca 0.88888888888889 0.77777777777778 0.56239508685685 40.078 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8951080 -0.0000000 0.0000000 -0.0000000 4.8951080 0.0000000 0.0000000 0.0000000 4.5091154 -------------------------- Born effective charges -------------------------- 1 N -3.4248772 -0.0000000 0.0000000 0.0000000 -3.4248772 0.0000000 0.0000000 0.0000000 -2.2132646 2 Cl -1.2273609 -0.0000000 0.0000000 0.0000000 -1.2273609 0.0000000 0.0000000 0.0000000 -1.7483534 3 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 4 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 ---------------------------------------------------------------------------- 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: 192 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): 0.005 Solver_block: 80 / 80 - Time: 0.101 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.107 --------------------------------- 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: 192 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:13:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:13:52]------------------------- Compiled with OpenMP support (max 48 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 1.805925834175546 1.042651766497749 6.525176966666660 b -1.805925834175542 1.042651766497749 6.525176966666660 c 0.000000000000002 -2.085303532995500 6.525176966666660 Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 3 Ca 0.77093824647648 0.77093824647648 0.77093824647648 40.078 4 Ca 0.22906175352352 0.22906175352352 0.22906175352352 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.835555005053264 0.000000000000000 0.000000000000000 b -5.417777502526632 9.383865898479748 0.000000000000000 c 0.000000000000000 0.000000000000000 19.575530900000000 Atomic positions (fractional): 1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 28 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 28 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 28 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 28 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 28 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 28 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 28 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 28 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 28 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 28 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 28 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 28 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 28 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 28 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 28 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 28 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 28 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 28 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 28 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 28 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 28 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 28 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 28 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 28 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 28 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 28 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 28 55 Ca 0.00000000000000 0.00000000000000 0.77093824647648 40.078 > 55 56 Ca 0.33333333333333 0.00000000000000 0.77093824647648 40.078 > 55 57 Ca 0.66666666666667 0.00000000000000 0.77093824647648 40.078 > 55 58 Ca 0.00000000000000 0.33333333333333 0.77093824647648 40.078 > 55 59 Ca 0.33333333333333 0.33333333333333 0.77093824647648 40.078 > 55 60 Ca 0.66666666666667 0.33333333333333 0.77093824647648 40.078 > 55 61 Ca 0.00000000000000 0.66666666666667 0.77093824647648 40.078 > 55 62 Ca 0.33333333333333 0.66666666666667 0.77093824647648 40.078 > 55 63 Ca 0.66666666666667 0.66666666666667 0.77093824647648 40.078 > 55 64 Ca 0.11111111111111 0.22222222222222 0.89572842019019 40.078 > 64 65 Ca 0.44444444444444 0.22222222222222 0.89572842019019 40.078 > 64 66 Ca 0.77777777777778 0.22222222222222 0.89572842019019 40.078 > 64 67 Ca 0.11111111111111 0.55555555555556 0.89572842019019 40.078 > 64 68 Ca 0.44444444444444 0.55555555555556 0.89572842019019 40.078 > 64 69 Ca 0.77777777777778 0.55555555555556 0.89572842019019 40.078 > 64 70 Ca 0.11111111111111 0.88888888888889 0.89572842019019 40.078 > 64 71 Ca 0.44444444444444 0.88888888888889 0.89572842019019 40.078 > 64 72 Ca 0.77777777777778 0.88888888888889 0.89572842019019 40.078 > 64 73 Ca 0.22222222222222 0.11111111111111 0.10427157980981 40.078 > 55 74 Ca 0.55555555555556 0.11111111111111 0.10427157980981 40.078 > 55 75 Ca 0.88888888888889 0.11111111111111 0.10427157980981 40.078 > 55 76 Ca 0.22222222222222 0.44444444444444 0.10427157980981 40.078 > 55 77 Ca 0.55555555555556 0.44444444444444 0.10427157980981 40.078 > 55 78 Ca 0.88888888888889 0.44444444444444 0.10427157980981 40.078 > 55 79 Ca 0.22222222222222 0.77777777777778 0.10427157980981 40.078 > 55 80 Ca 0.55555555555556 0.77777777777778 0.10427157980981 40.078 > 55 81 Ca 0.88888888888889 0.77777777777778 0.10427157980981 40.078 > 55 82 Ca 0.00000000000000 0.00000000000000 0.22906175352352 40.078 > 64 83 Ca 0.33333333333333 0.00000000000000 0.22906175352352 40.078 > 64 84 Ca 0.66666666666667 0.00000000000000 0.22906175352352 40.078 > 64 85 Ca 0.00000000000000 0.33333333333333 0.22906175352352 40.078 > 64 86 Ca 0.33333333333333 0.33333333333333 0.22906175352352 40.078 > 64 87 Ca 0.66666666666667 0.33333333333333 0.22906175352352 40.078 > 64 88 Ca 0.00000000000000 0.66666666666667 0.22906175352352 40.078 > 64 89 Ca 0.33333333333333 0.66666666666667 0.22906175352352 40.078 > 64 90 Ca 0.66666666666667 0.66666666666667 0.22906175352352 40.078 > 64 91 Ca 0.11111111111111 0.22222222222222 0.43760491314315 40.078 > 55 92 Ca 0.44444444444444 0.22222222222222 0.43760491314315 40.078 > 55 93 Ca 0.77777777777778 0.22222222222222 0.43760491314315 40.078 > 55 94 Ca 0.11111111111111 0.55555555555556 0.43760491314315 40.078 > 55 95 Ca 0.44444444444444 0.55555555555556 0.43760491314315 40.078 > 55 96 Ca 0.77777777777778 0.55555555555556 0.43760491314315 40.078 > 55 97 Ca 0.11111111111111 0.88888888888889 0.43760491314315 40.078 > 55 98 Ca 0.44444444444444 0.88888888888889 0.43760491314315 40.078 > 55 99 Ca 0.77777777777778 0.88888888888889 0.43760491314315 40.078 > 55 100 Ca 0.22222222222222 0.11111111111111 0.56239508685685 40.078 > 64 101 Ca 0.55555555555556 0.11111111111111 0.56239508685685 40.078 > 64 102 Ca 0.88888888888889 0.11111111111111 0.56239508685685 40.078 > 64 103 Ca 0.22222222222222 0.44444444444444 0.56239508685685 40.078 > 64 104 Ca 0.55555555555556 0.44444444444444 0.56239508685685 40.078 > 64 105 Ca 0.88888888888889 0.44444444444444 0.56239508685685 40.078 > 64 106 Ca 0.22222222222222 0.77777777777778 0.56239508685685 40.078 > 64 107 Ca 0.55555555555556 0.77777777777778 0.56239508685685 40.078 > 64 108 Ca 0.88888888888889 0.77777777777778 0.56239508685685 40.078 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8951080 -0.0000000 0.0000000 -0.0000000 4.8951080 0.0000000 0.0000000 0.0000000 4.5091154 -------------------------- Born effective charges -------------------------- 1 N -3.4248772 -0.0000000 0.0000000 0.0000000 -3.4248772 0.0000000 0.0000000 0.0000000 -2.2132646 2 Cl -1.2273609 -0.0000000 0.0000000 0.0000000 -1.2273609 0.0000000 0.0000000 0.0000000 -1.7483534 3 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 4 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 ---------------------------------------------------------------------------- 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[ 28, 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] 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 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:13:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:13:55]------------------------- Compiled with OpenMP support (max 48 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 1.805925834175546 1.042651766497749 6.525176966666660 b -1.805925834175542 1.042651766497749 6.525176966666660 c 0.000000000000002 -2.085303532995500 6.525176966666660 Atomic positions (fractional): 1 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 2 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 3 Ca 0.77093824647648 0.77093824647648 0.77093824647648 40.078 4 Ca 0.22906175352352 0.22906175352352 0.22906175352352 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.835555005053264 0.000000000000000 0.000000000000000 b -5.417777502526632 9.383865898479748 0.000000000000000 c 0.000000000000000 0.000000000000000 19.575530900000000 Atomic positions (fractional): 1 N 0.22222222222222 0.11111111111111 0.83333333333333 14.007 > 1 2 N 0.55555555555556 0.11111111111111 0.83333333333333 14.007 > 1 3 N 0.88888888888889 0.11111111111111 0.83333333333333 14.007 > 1 4 N 0.22222222222222 0.44444444444444 0.83333333333333 14.007 > 1 5 N 0.55555555555556 0.44444444444444 0.83333333333333 14.007 > 1 6 N 0.88888888888889 0.44444444444444 0.83333333333333 14.007 > 1 7 N 0.22222222222222 0.77777777777778 0.83333333333333 14.007 > 1 8 N 0.55555555555556 0.77777777777778 0.83333333333333 14.007 > 1 9 N 0.88888888888889 0.77777777777778 0.83333333333333 14.007 > 1 10 N 0.11111111111111 0.22222222222222 0.16666666666667 14.007 > 1 11 N 0.44444444444444 0.22222222222222 0.16666666666667 14.007 > 1 12 N 0.77777777777778 0.22222222222222 0.16666666666667 14.007 > 1 13 N 0.11111111111111 0.55555555555556 0.16666666666667 14.007 > 1 14 N 0.44444444444444 0.55555555555556 0.16666666666667 14.007 > 1 15 N 0.77777777777778 0.55555555555556 0.16666666666667 14.007 > 1 16 N 0.11111111111111 0.88888888888889 0.16666666666667 14.007 > 1 17 N 0.44444444444444 0.88888888888889 0.16666666666667 14.007 > 1 18 N 0.77777777777778 0.88888888888889 0.16666666666667 14.007 > 1 19 N 0.00000000000000 0.00000000000000 0.50000000000000 14.007 > 1 20 N 0.33333333333333 0.00000000000000 0.50000000000000 14.007 > 1 21 N 0.66666666666667 0.00000000000000 0.50000000000000 14.007 > 1 22 N 0.00000000000000 0.33333333333333 0.50000000000000 14.007 > 1 23 N 0.33333333333333 0.33333333333333 0.50000000000000 14.007 > 1 24 N 0.66666666666667 0.33333333333333 0.50000000000000 14.007 > 1 25 N 0.00000000000000 0.66666666666667 0.50000000000000 14.007 > 1 26 N 0.33333333333333 0.66666666666667 0.50000000000000 14.007 > 1 27 N 0.66666666666667 0.66666666666667 0.50000000000000 14.007 > 1 28 Cl 0.00000000000000 0.00000000000000 0.00000000000000 35.453 > 28 29 Cl 0.33333333333333 0.00000000000000 0.00000000000000 35.453 > 28 30 Cl 0.66666666666667 0.00000000000000 0.00000000000000 35.453 > 28 31 Cl 0.00000000000000 0.33333333333333 0.00000000000000 35.453 > 28 32 Cl 0.33333333333333 0.33333333333333 0.00000000000000 35.453 > 28 33 Cl 0.66666666666667 0.33333333333333 0.00000000000000 35.453 > 28 34 Cl 0.00000000000000 0.66666666666667 0.00000000000000 35.453 > 28 35 Cl 0.33333333333333 0.66666666666667 0.00000000000000 35.453 > 28 36 Cl 0.66666666666667 0.66666666666667 0.00000000000000 35.453 > 28 37 Cl 0.22222222222222 0.11111111111111 0.33333333333333 35.453 > 28 38 Cl 0.55555555555556 0.11111111111111 0.33333333333333 35.453 > 28 39 Cl 0.88888888888889 0.11111111111111 0.33333333333333 35.453 > 28 40 Cl 0.22222222222222 0.44444444444444 0.33333333333333 35.453 > 28 41 Cl 0.55555555555556 0.44444444444444 0.33333333333333 35.453 > 28 42 Cl 0.88888888888889 0.44444444444444 0.33333333333333 35.453 > 28 43 Cl 0.22222222222222 0.77777777777778 0.33333333333333 35.453 > 28 44 Cl 0.55555555555556 0.77777777777778 0.33333333333333 35.453 > 28 45 Cl 0.88888888888889 0.77777777777778 0.33333333333333 35.453 > 28 46 Cl 0.11111111111111 0.22222222222222 0.66666666666667 35.453 > 28 47 Cl 0.44444444444444 0.22222222222222 0.66666666666667 35.453 > 28 48 Cl 0.77777777777778 0.22222222222222 0.66666666666667 35.453 > 28 49 Cl 0.11111111111111 0.55555555555556 0.66666666666667 35.453 > 28 50 Cl 0.44444444444444 0.55555555555556 0.66666666666667 35.453 > 28 51 Cl 0.77777777777778 0.55555555555556 0.66666666666667 35.453 > 28 52 Cl 0.11111111111111 0.88888888888889 0.66666666666667 35.453 > 28 53 Cl 0.44444444444444 0.88888888888889 0.66666666666667 35.453 > 28 54 Cl 0.77777777777778 0.88888888888889 0.66666666666667 35.453 > 28 55 Ca 0.00000000000000 0.00000000000000 0.77093824647648 40.078 > 55 56 Ca 0.33333333333333 0.00000000000000 0.77093824647648 40.078 > 55 57 Ca 0.66666666666667 0.00000000000000 0.77093824647648 40.078 > 55 58 Ca 0.00000000000000 0.33333333333333 0.77093824647648 40.078 > 55 59 Ca 0.33333333333333 0.33333333333333 0.77093824647648 40.078 > 55 60 Ca 0.66666666666667 0.33333333333333 0.77093824647648 40.078 > 55 61 Ca 0.00000000000000 0.66666666666667 0.77093824647648 40.078 > 55 62 Ca 0.33333333333333 0.66666666666667 0.77093824647648 40.078 > 55 63 Ca 0.66666666666667 0.66666666666667 0.77093824647648 40.078 > 55 64 Ca 0.11111111111111 0.22222222222222 0.89572842019019 40.078 > 64 65 Ca 0.44444444444444 0.22222222222222 0.89572842019019 40.078 > 64 66 Ca 0.77777777777778 0.22222222222222 0.89572842019019 40.078 > 64 67 Ca 0.11111111111111 0.55555555555556 0.89572842019019 40.078 > 64 68 Ca 0.44444444444444 0.55555555555556 0.89572842019019 40.078 > 64 69 Ca 0.77777777777778 0.55555555555556 0.89572842019019 40.078 > 64 70 Ca 0.11111111111111 0.88888888888889 0.89572842019019 40.078 > 64 71 Ca 0.44444444444444 0.88888888888889 0.89572842019019 40.078 > 64 72 Ca 0.77777777777778 0.88888888888889 0.89572842019019 40.078 > 64 73 Ca 0.22222222222222 0.11111111111111 0.10427157980981 40.078 > 55 74 Ca 0.55555555555556 0.11111111111111 0.10427157980981 40.078 > 55 75 Ca 0.88888888888889 0.11111111111111 0.10427157980981 40.078 > 55 76 Ca 0.22222222222222 0.44444444444444 0.10427157980981 40.078 > 55 77 Ca 0.55555555555556 0.44444444444444 0.10427157980981 40.078 > 55 78 Ca 0.88888888888889 0.44444444444444 0.10427157980981 40.078 > 55 79 Ca 0.22222222222222 0.77777777777778 0.10427157980981 40.078 > 55 80 Ca 0.55555555555556 0.77777777777778 0.10427157980981 40.078 > 55 81 Ca 0.88888888888889 0.77777777777778 0.10427157980981 40.078 > 55 82 Ca 0.00000000000000 0.00000000000000 0.22906175352352 40.078 > 64 83 Ca 0.33333333333333 0.00000000000000 0.22906175352352 40.078 > 64 84 Ca 0.66666666666667 0.00000000000000 0.22906175352352 40.078 > 64 85 Ca 0.00000000000000 0.33333333333333 0.22906175352352 40.078 > 64 86 Ca 0.33333333333333 0.33333333333333 0.22906175352352 40.078 > 64 87 Ca 0.66666666666667 0.33333333333333 0.22906175352352 40.078 > 64 88 Ca 0.00000000000000 0.66666666666667 0.22906175352352 40.078 > 64 89 Ca 0.33333333333333 0.66666666666667 0.22906175352352 40.078 > 64 90 Ca 0.66666666666667 0.66666666666667 0.22906175352352 40.078 > 64 91 Ca 0.11111111111111 0.22222222222222 0.43760491314315 40.078 > 55 92 Ca 0.44444444444444 0.22222222222222 0.43760491314315 40.078 > 55 93 Ca 0.77777777777778 0.22222222222222 0.43760491314315 40.078 > 55 94 Ca 0.11111111111111 0.55555555555556 0.43760491314315 40.078 > 55 95 Ca 0.44444444444444 0.55555555555556 0.43760491314315 40.078 > 55 96 Ca 0.77777777777778 0.55555555555556 0.43760491314315 40.078 > 55 97 Ca 0.11111111111111 0.88888888888889 0.43760491314315 40.078 > 55 98 Ca 0.44444444444444 0.88888888888889 0.43760491314315 40.078 > 55 99 Ca 0.77777777777778 0.88888888888889 0.43760491314315 40.078 > 55 100 Ca 0.22222222222222 0.11111111111111 0.56239508685685 40.078 > 64 101 Ca 0.55555555555556 0.11111111111111 0.56239508685685 40.078 > 64 102 Ca 0.88888888888889 0.11111111111111 0.56239508685685 40.078 > 64 103 Ca 0.22222222222222 0.44444444444444 0.56239508685685 40.078 > 64 104 Ca 0.55555555555556 0.44444444444444 0.56239508685685 40.078 > 64 105 Ca 0.88888888888889 0.44444444444444 0.56239508685685 40.078 > 64 106 Ca 0.22222222222222 0.77777777777778 0.56239508685685 40.078 > 64 107 Ca 0.55555555555556 0.77777777777778 0.56239508685685 40.078 > 64 108 Ca 0.88888888888889 0.77777777777778 0.56239508685685 40.078 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8951080 -0.0000000 0.0000000 -0.0000000 4.8951080 0.0000000 0.0000000 0.0000000 4.5091154 -------------------------- Born effective charges -------------------------- 1 N -3.4248772 -0.0000000 0.0000000 0.0000000 -3.4248772 0.0000000 0.0000000 0.0000000 -2.2132646 2 Cl -1.2273609 -0.0000000 0.0000000 0.0000000 -1.2273609 0.0000000 0.0000000 0.0000000 -1.7483534 3 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 4 Ca 2.3261190 0.0000000 0.0000000 -0.0000000 2.3261190 0.0000000 0.0000000 0.0000000 1.9808090 ---------------------------------------------------------------------------- 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 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 16 16 16 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.99, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.735 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 28.691 16.565 3.717) 33.337 0.721 ( 31.406 18.132 -0.816) 36.273 1.366 ( 56.235 32.468 12.584) 66.143 3.971 ( 2.426 1.401 0.325) 2.820 4.467 ( 10.690 6.172 -9.314) 15.464 5.450 ( 1.677 0.968 0.134) 1.941 5.459 ( 1.802 1.040 -0.161) 2.087 5.908 ( 4.700 2.713 11.420) 12.644 9.364 ( -0.738 -0.426 0.305) 0.905 9.642 ( -7.633 -4.407 -1.447) 8.932 12.826 ( -1.536 -0.887 -30.463) 30.515 14.986 ( -2.638 -1.523 -2.774) 4.120 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 30.117 17.388 0.515) 34.780 1.442 ( 31.163 17.992 -0.762) 35.992 2.642 ( 50.178 28.970 11.763) 59.122 4.056 ( 4.765 2.751 0.736) 5.551 4.783 ( 19.085 11.019 -9.452) 23.979 5.480 ( -0.007 -0.004 -0.281) 0.281 5.504 ( 2.851 1.646 0.123) 3.295 6.145 ( 13.012 7.512 6.288) 16.287 9.346 ( -0.787 -0.454 0.463) 1.020 9.387 ( -13.550 -7.823 -2.091) 15.786 12.615 ( -12.778 -7.378 0.232) 14.757 14.892 ( -2.975 -1.717 -13.990) 14.405 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 31.426 18.144 -3.306) 36.438 2.144 ( 29.609 17.095 -0.938) 34.203 3.715 ( 38.943 22.484 10.427) 46.160 4.195 ( 6.982 4.031 1.247) 8.158 5.239 ( 18.947 10.939 -12.431) 25.163 5.505 ( 6.404 3.698 1.866) 7.627 5.576 ( 3.266 1.886 -0.007) 3.771 6.518 ( 17.174 9.915 5.022) 20.456 9.028 ( -16.478 -9.514 -1.666) 19.100 9.338 ( 0.122 0.071 0.406) 0.430 12.234 ( -21.459 -12.389 9.637) 26.587 14.767 ( -3.543 -2.046 -16.618) 17.114 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 32.198 18.590 -6.645) 37.768 2.783 ( 25.649 14.808 -1.434) 29.652 4.385 ( 9.033 5.215 1.694) 10.567 4.489 ( 25.638 14.802 8.051) 30.679 5.357 ( 0.707 0.408 -4.253) 4.331 5.649 ( 2.938 1.696 -0.076) 3.393 5.973 ( 25.826 14.911 -4.383) 30.142 6.949 ( 18.684 10.787 3.399) 21.841 8.652 ( -14.850 -8.573 -0.259) 17.149 9.360 ( 1.692 0.977 0.209) 1.965 11.700 ( -27.247 -15.731 10.574) 33.191 14.625 ( -4.491 -2.593 -14.368) 15.275 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 19.207 11.089 -1.883) 22.259 3.497 ( 32.187 18.583 -8.910) 38.220 4.617 ( 10.402 6.006 1.667) 12.127 4.949 ( 12.214 7.052 3.006) 14.420 5.399 ( 4.754 2.745 2.612) 6.079 5.707 ( 2.050 1.183 0.065) 2.368 6.448 ( 14.328 8.272 -4.220) 17.074 7.372 ( 15.966 9.218 0.724) 18.451 8.409 ( -4.346 -2.509 1.395) 5.209 9.417 ( 3.165 1.827 0.036) 3.654 11.072 ( -29.049 -16.772 8.141) 34.517 14.471 ( -5.259 -3.037 -10.313) 11.968 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 11.991 6.923 -1.718) 13.952 4.192 ( 30.198 17.435 -9.894) 36.247 4.859 ( 9.666 5.581 0.955) 11.202 5.095 ( 2.451 1.415 -1.445) 3.177 5.598 ( 9.076 5.240 8.993) 13.809 5.742 ( 0.922 0.532 0.339) 1.117 6.566 ( -2.626 -1.516 -3.363) 4.529 7.625 ( 6.216 3.589 0.771) 7.218 8.512 ( 11.285 6.515 0.433) 13.038 9.498 ( 3.600 2.079 -0.018) 4.157 10.451 ( -25.603 -14.782 4.856) 29.960 14.325 ( -4.951 -2.858 -6.215) 8.444 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( 5.615 3.242 -0.969) 6.556 4.774 ( 20.289 11.714 -7.905) 24.726 5.046 ( 5.937 3.428 0.194) 6.858 5.139 ( 3.403 1.965 -2.198) 4.502 5.754 ( 0.093 0.053 0.403) 0.416 5.820 ( 7.349 4.243 10.970) 13.869 6.363 ( -12.414 -7.167 -3.660) 14.794 7.724 ( 2.677 1.546 1.006) 3.251 8.785 ( 9.989 5.767 -0.541) 11.547 9.571 ( 2.421 1.398 -0.006) 2.796 9.973 ( -15.616 -9.016 1.945) 18.136 14.215 ( -3.074 -1.775 -2.785) 4.512 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 0.000 0.000 0.000) 0.000 4.974 ( 0.000 0.000 -0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.056 ( -0.000 -0.000 -0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 -0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.788 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.000 31.998 19.293) 37.364 0.803 ( -0.000 35.183 15.416) 38.412 1.346 ( -0.000 63.049 9.441) 63.752 3.948 ( 0.000 1.985 -4.564) 4.977 4.447 ( 0.000 15.337 -12.211) 19.605 5.453 ( -0.000 2.036 0.846) 2.205 5.467 ( -0.000 2.130 1.026) 2.364 5.933 ( -0.000 0.030 15.372) 15.372 9.363 ( 0.000 -0.932 0.025) 0.932 9.635 ( 0.000 -8.847 -3.095) 9.373 12.642 ( 0.000 14.259 -61.650) 63.278 15.021 ( -0.000 -4.422 3.079) 5.389 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 11.490 29.228 14.294) 34.505 1.378 ( 14.684 35.565 5.951) 38.934 2.316 ( 33.137 48.542 12.472) 60.083 4.002 ( 4.574 2.944 -4.221) 6.885 4.653 ( 8.342 18.416 -10.613) 22.833 5.471 ( -0.282 -0.367 -0.218) 0.512 5.507 ( 1.747 3.887 0.618) 4.306 6.069 ( 7.100 8.421 7.206) 13.162 9.352 ( -0.255 -0.899 0.238) 0.964 9.455 ( -6.806 -12.273 -3.856) 14.554 12.609 ( 1.116 -6.313 -16.251) 17.470 14.914 ( -5.876 -1.452 -10.030) 11.714 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 21.091 25.379 6.525) 33.637 2.022 ( 17.854 33.660 1.651) 38.138 3.378 ( 34.861 34.223 12.318) 50.381 4.130 ( 6.672 5.217 -2.760) 8.908 5.026 ( 15.890 19.679 -13.465) 28.654 5.460 ( 1.380 -0.846 -0.374) 1.661 5.590 ( 1.622 6.178 0.458) 6.404 6.371 ( 13.157 11.210 6.013) 18.301 9.146 ( -11.451 -14.001 -3.655) 18.453 9.346 ( -0.168 0.325 0.501) 0.620 12.404 ( -10.250 -15.587 5.597) 19.477 14.757 ( -5.109 -1.487 -17.477) 18.269 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 24.941 22.570 0.895) 33.649 2.661 ( 18.244 30.552 -0.944) 35.597 4.232 ( 26.928 21.124 10.456) 35.787 4.316 ( 7.855 8.155 -1.403) 11.410 5.300 ( 3.657 2.020 -10.672) 11.460 5.670 ( 6.922 7.812 -1.525) 10.548 5.717 ( 14.677 17.547 -1.974) 22.961 6.759 ( 16.370 10.528 5.611) 20.256 8.783 ( -12.763 -13.157 -2.283) 18.472 9.364 ( 0.550 2.489 0.395) 2.580 11.988 ( -20.509 -18.965 11.644) 30.263 14.601 ( -3.616 -3.624 -17.299) 18.041 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 23.501 18.869 -0.850) 30.151 3.253 ( 18.803 27.188 -4.886) 33.416 4.549 ( 8.291 10.695 -0.439) 13.539 4.798 ( 16.660 10.938 6.388) 20.928 5.320 ( 3.955 -1.162 -3.702) 5.541 5.768 ( -0.500 9.109 0.362) 9.130 6.247 ( 19.046 15.964 -6.859) 25.780 7.170 ( 17.654 8.709 4.094) 20.107 8.473 ( -8.309 -8.503 -0.118) 11.889 9.420 ( 1.384 5.222 0.247) 5.408 11.417 ( -26.798 -19.034 10.469) 34.497 14.447 ( -2.746 -6.343 -13.219) 14.917 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 12.477 15.040 -0.091) 19.542 3.867 ( 25.410 23.000 -8.909) 35.413 4.800 ( 7.566 11.458 -0.129) 13.732 5.047 ( 4.596 2.301 -0.927) 5.223 5.454 ( 10.868 1.084 4.662) 11.875 5.845 ( -2.197 10.559 1.102) 10.841 6.542 ( 4.512 4.817 -6.216) 9.066 7.519 ( 11.754 4.874 2.248) 12.922 8.398 ( 5.536 0.352 1.434) 5.730 9.513 ( 1.513 7.841 0.234) 7.989 10.784 ( -27.951 -16.357 6.996) 33.133 14.298 ( -1.822 -8.388 -8.506) 12.084 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 4.931 11.260 -0.309) 12.296 4.489 ( 24.679 17.720 -9.414) 31.806 5.016 ( 5.002 8.681 -0.059) 10.019 5.096 ( 2.032 0.762 -2.436) 3.262 5.658 ( 8.377 -0.023 5.613) 10.084 5.918 ( -2.147 10.825 3.155) 11.478 6.482 ( -8.833 -2.856 -4.747) 10.427 7.688 ( 4.355 2.274 1.615) 5.172 8.618 ( 13.513 2.841 1.337) 13.873 9.620 ( 0.398 9.340 0.459) 9.360 10.213 ( -22.989 -10.415 3.321) 25.456 14.172 ( 0.071 -9.065 -4.554) 10.145 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( -0.771 7.788 -0.014) 7.826 4.919 ( 9.595 6.452 -4.730) 12.493 5.140 ( 5.388 2.798 -1.248) 6.198 5.161 ( 1.629 4.588 -1.662) 5.144 5.757 ( 1.529 0.508 1.533) 2.225 6.018 ( 2.361 5.173 5.954) 8.233 6.224 ( -14.450 0.475 -4.755) 15.219 7.752 ( 1.080 0.887 0.305) 1.430 8.826 ( 7.806 -2.216 2.047) 8.369 9.710 ( 0.145 7.771 0.883) 7.822 9.845 ( -13.532 -0.166 0.393) 13.539 14.101 ( 3.175 -8.215 -1.585) 8.948 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( -6.096 4.496 0.600) 7.598 4.952 ( -6.231 -2.951 2.211) 7.241 5.146 ( -6.207 0.798 0.029) 6.258 5.181 ( -3.182 -2.947 2.635) 5.075 5.728 ( -2.402 -3.691 -5.031) 6.686 5.961 ( -8.037 4.160 -5.356) 10.516 6.262 ( 7.690 10.729 2.977) 13.532 7.746 ( -1.668 -0.855 -0.973) 2.112 8.831 ( -2.402 -7.942 3.028) 8.832 9.703 ( -6.276 2.860 -0.517) 6.916 9.843 ( 5.494 11.996 0.000) 13.194 14.113 ( 6.735 -6.233 0.934) 9.224 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( -11.910 0.854 1.300) 12.011 4.578 ( -26.861 -12.381 9.036) 30.927 5.010 ( -9.967 -0.047 -1.329) 10.055 5.117 ( -1.965 -1.036 2.166) 3.102 5.591 ( -4.284 -7.387 -8.638) 12.146 5.890 ( -7.665 8.850 -2.342) 11.940 6.509 ( 7.744 6.085 0.621) 9.868 7.674 ( -4.025 -2.991 -1.017) 5.116 8.625 ( -10.282 -10.480 2.636) 14.917 9.616 ( -7.944 3.972 -0.240) 8.885 10.186 ( 18.844 14.342 -2.419) 23.804 14.212 ( 9.385 -3.945 3.685) 10.827 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -19.024 -4.150 1.878) 19.561 3.955 ( -33.031 -11.232 9.234) 36.090 4.790 ( -13.692 -0.457 -2.213) 13.877 5.051 ( -6.413 -3.750 0.073) 7.429 5.405 ( -4.131 -6.516 -5.728) 9.609 5.836 ( -7.695 7.491 -0.624) 10.757 6.575 ( -5.039 -1.139 0.231) 5.172 7.512 ( -10.139 -8.404 1.017) 13.208 8.390 ( -3.994 -4.583 -0.195) 6.082 9.512 ( -7.439 2.445 -0.079) 7.831 10.725 ( 26.333 15.518 -5.048) 30.979 14.371 ( 10.231 -2.016 6.701) 12.395 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -27.456 -11.546 2.844) 29.921 3.311 ( -34.622 -4.728 6.875) 35.613 4.538 ( -13.202 -0.907 -2.631) 13.492 4.742 ( -19.921 -9.966 -5.001) 22.829 5.343 ( 1.356 -1.559 0.962) 2.279 5.766 ( -7.580 5.163 0.036) 9.171 6.288 ( -22.225 -8.226 1.234) 23.731 7.148 ( -17.827 -12.200 -0.045) 21.602 8.469 ( 12.176 3.685 -0.852) 12.750 9.418 ( -5.234 1.304 -0.112) 5.395 11.332 ( 28.160 13.603 -7.009) 32.049 14.556 ( 9.355 -0.594 9.278) 13.189 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -32.628 -13.028 2.880) 35.251 2.686 ( -36.712 -1.801 4.121) 36.986 4.150 ( -33.347 -12.683 -6.422) 36.251 4.313 ( -10.704 -1.183 -2.102) 10.972 5.374 ( 0.666 -0.129 4.822) 4.869 5.675 ( -8.244 0.719 0.154) 8.276 5.733 ( -27.190 -7.810 0.524) 28.295 6.719 ( -18.203 -9.369 -2.385) 20.611 8.795 ( 18.527 5.162 0.211) 19.234 9.361 ( -2.506 0.719 -0.229) 2.617 11.898 ( 25.933 9.432 -7.079) 28.488 14.733 ( 7.439 0.426 10.144) 12.586 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -34.133 -9.439 1.190) 35.434 2.027 ( -38.838 -0.862 2.553) 38.931 3.292 ( -48.810 -11.620 -5.422) 50.466 4.137 ( -7.651 -1.034 -1.176) 7.810 5.118 ( -25.881 -5.318 5.277) 26.943 5.457 ( 1.615 -0.774 -0.989) 2.046 5.588 ( -6.178 1.475 0.159) 6.354 6.328 ( -17.104 -5.271 -2.548) 18.078 9.167 ( 18.355 3.433 0.632) 18.684 9.342 ( -0.271 0.364 -0.246) 0.516 12.359 ( 21.169 4.357 -3.877) 21.957 14.879 ( 5.165 0.866 7.467) 9.120 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -33.755 0.000 0.000) 33.755 1.350 ( -39.285 0.000 0.000) 39.285 2.255 ( -60.425 0.000 0.000) 60.425 4.022 ( -4.775 0.000 0.000) 4.775 4.707 ( -18.847 0.000 0.000) 18.847 5.472 ( 0.015 -0.000 -0.000) 0.015 5.504 ( -4.288 0.000 0.000) 4.288 6.030 ( -12.901 0.000 0.000) 12.901 9.350 ( 0.842 -0.000 -0.000) 0.842 9.474 ( 14.276 -0.000 -0.000) 14.276 12.691 ( 15.213 -0.000 -0.000) 15.213 14.967 ( 2.845 -0.000 -0.000) 2.845 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.000 33.871 16.244) 37.565 1.600 ( -0.000 34.770 14.719) 37.757 2.610 ( -0.000 56.580 9.308) 57.341 3.966 ( 0.000 4.048 -8.456) 9.375 4.769 ( 0.000 23.462 -10.295) 25.621 5.470 ( 0.000 -2.137 -1.155) 2.429 5.518 ( -0.000 3.533 1.436) 3.813 6.138 ( -0.000 14.230 4.891) 15.047 9.343 ( 0.000 -0.949 0.094) 0.954 9.356 ( 0.000 -15.885 -5.203) 16.715 12.466 ( 0.000 -8.183 -13.360) 15.667 14.929 ( 0.000 -2.545 -9.429) 9.766 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.468 33.322 13.976) 36.301 2.137 ( 12.018 35.129 8.671) 38.127 3.343 ( 18.018 44.984 10.551) 49.594 4.043 ( 6.455 5.383 -8.455) 11.922 5.028 ( 5.477 25.060 -13.680) 29.072 5.432 ( 0.075 -1.906 -1.557) 2.462 5.602 ( 3.840 4.960 1.279) 6.402 6.365 ( 5.397 17.160 5.205) 18.727 9.119 ( -5.455 -17.599 -5.263) 19.162 9.344 ( 0.735 -0.053 0.314) 0.801 12.326 ( -0.640 -17.571 0.738) 17.599 14.806 ( -6.567 -1.624 -13.863) 15.425 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 11.534 30.545 8.065) 33.631 2.727 ( 13.278 34.219 3.647) 36.886 4.094 ( 20.365 28.956 10.808) 37.013 4.234 ( 10.091 8.307 -6.501) 14.598 5.241 ( 2.116 5.976 -15.826) 17.048 5.558 ( 10.847 14.371 -2.844) 18.228 5.758 ( 5.730 11.222 1.367) 12.674 6.676 ( 8.963 15.654 6.284) 19.102 8.806 ( -8.338 -16.759 -4.131) 19.169 9.375 ( 1.507 2.411 0.486) 2.885 12.063 ( -8.445 -23.305 9.256) 26.460 14.610 ( -7.516 -2.637 -15.898) 17.782 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 16.369 26.522 3.019) 31.313 3.283 ( 12.214 31.103 -0.264) 33.416 4.501 ( 10.602 12.006 -4.040) 16.519 4.666 ( 15.824 15.952 8.676) 24.086 5.236 ( 1.943 -0.771 -9.593) 9.819 5.811 ( 5.592 7.544 -3.071) 9.880 6.137 ( 14.653 23.896 -4.434) 28.379 7.014 ( 11.839 11.544 6.667) 17.829 8.504 ( -7.403 -12.410 -2.164) 14.611 9.451 ( 2.258 5.975 0.574) 6.413 11.632 ( -17.366 -23.483 10.677) 31.096 14.403 ( -5.685 -6.270 -13.897) 16.271 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.486 ( 16.022 21.370 1.732) 26.765 3.772 ( 12.535 27.219 -5.142) 30.404 4.792 ( 8.613 13.429 -2.014) 16.080 4.987 ( 6.236 5.657 0.271) 8.424 5.306 ( 8.758 2.191 0.342) 9.034 5.944 ( 2.588 7.253 -2.081) 7.977 6.527 ( 6.278 16.275 -6.222) 18.520 7.353 ( 13.738 7.008 5.725) 16.450 8.337 ( -0.247 -4.627 -0.143) 4.636 9.571 ( 2.387 9.114 0.868) 9.461 11.091 ( -23.192 -18.725 8.012) 30.866 14.203 ( -3.065 -10.692 -9.860) 14.863 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 6.582 16.766 1.944) 18.116 4.269 ( 18.838 22.194 -8.699) 30.383 4.995 ( 4.054 1.912 -1.454) 4.712 5.104 ( 2.852 11.460 -3.444) 12.302 5.527 ( 10.139 2.653 5.779) 11.968 6.032 ( 0.666 5.395 -1.727) 5.704 6.623 ( -6.551 9.137 -4.232) 12.013 7.621 ( 8.102 3.921 3.874) 9.799 8.417 ( 10.742 0.047 1.018) 10.790 9.697 ( 1.003 7.068 1.788) 7.359 10.560 ( -23.615 -6.534 3.714) 24.782 14.027 ( 0.220 -14.125 -5.863) 15.295 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( -0.699 13.518 0.862) 13.563 4.755 ( 17.047 13.850 -7.865) 23.330 5.033 ( 3.705 -2.358 -1.691) 4.706 5.254 ( -0.132 12.139 -1.572) 12.242 5.705 ( 5.964 1.065 4.152) 7.345 6.051 ( -0.940 -0.726 -0.925) 1.505 6.527 ( -13.664 12.610 -1.610) 18.663 7.743 ( 2.082 2.322 1.402) 3.419 8.627 ( 12.209 -3.370 2.626) 12.935 9.703 ( -1.478 -6.931 2.585) 7.543 10.251 ( -18.090 17.713 -0.004) 25.318 13.903 ( 4.536 -15.471 -2.818) 16.366 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( -6.069 10.172 0.384) 11.851 4.972 ( 1.847 1.454 -2.035) 3.109 5.118 ( 5.817 -2.337 0.050) 6.269 5.311 ( -5.005 8.641 -1.094) 10.045 5.732 ( -3.314 -3.213 -4.112) 6.181 6.022 ( 1.258 -0.858 1.985) 2.502 6.460 ( -10.883 19.114 -0.756) 22.008 7.763 ( -1.172 0.272 -0.900) 1.503 8.735 ( 5.131 -8.641 4.590) 11.048 9.622 ( 3.570 -8.532 0.555) 9.265 10.209 ( -15.325 27.024 -0.041) 31.067 13.869 ( 9.495 -14.185 -0.582) 17.079 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( -11.301 6.161 0.315) 12.875 4.887 ( -14.775 -5.398 5.163) 16.555 5.072 ( -1.999 -4.444 2.919) 5.680 5.257 ( -8.560 5.388 -1.620) 10.244 5.578 ( -5.095 -4.787 -8.803) 11.241 6.065 ( -1.502 4.848 0.510) 5.100 6.530 ( -1.771 16.087 -1.617) 16.264 7.707 ( -3.504 -2.427 -1.781) 4.619 8.654 ( -4.135 -11.683 5.265) 13.466 9.669 ( 6.207 -3.040 -0.872) 6.966 10.248 ( -7.788 24.345 -0.279) 25.562 13.946 ( 13.570 -10.779 1.490) 17.394 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.868 ( -17.487 0.849 0.523) 17.515 4.437 ( -28.733 -6.333 8.137) 30.527 5.005 ( -7.336 -0.064 -0.805) 7.381 5.132 ( -7.839 0.708 0.074) 7.871 5.409 ( -5.679 -4.672 -6.613) 9.890 6.047 ( -6.593 5.817 0.043) 8.792 6.645 ( -1.326 9.439 -2.796) 9.933 7.575 ( -6.555 -7.112 0.090) 9.673 8.438 ( -7.849 -9.065 2.992) 12.359 9.674 ( -5.250 1.753 -0.424) 5.551 10.501 ( 13.369 17.215 -2.252) 21.913 14.121 ( 15.349 -6.744 3.495) 17.126 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -25.474 -4.647 1.285) 25.926 3.888 ( -32.318 -1.292 6.010) 32.897 4.793 ( -15.512 1.472 -2.097) 15.723 4.942 ( -13.478 -5.558 -2.254) 14.752 5.312 ( 0.023 -1.010 -0.831) 1.309 5.964 ( -8.440 3.973 0.224) 9.331 6.579 ( -14.443 3.607 -2.479) 15.092 7.306 ( -13.721 -12.150 2.168) 18.455 8.336 ( 3.645 -1.033 -0.164) 3.792 9.561 ( -8.604 2.058 -0.110) 8.847 10.977 ( 24.310 11.246 -3.477) 27.010 14.348 ( 14.726 -3.274 4.668) 15.791 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -32.094 -4.870 1.355) 32.490 3.321 ( -35.021 0.615 2.856) 35.143 4.526 ( -15.656 0.495 -1.886) 15.778 4.550 ( -23.531 -5.184 -2.037) 24.181 5.343 ( 2.895 0.250 1.181) 3.137 5.839 ( -9.049 1.067 0.204) 9.114 6.196 ( -29.047 -0.799 -0.412) 29.061 6.936 ( -16.624 -7.122 0.112) 18.086 8.523 ( 15.682 1.635 -0.268) 15.770 9.444 ( -6.224 0.877 -0.072) 6.286 11.499 ( 26.664 5.546 -2.890) 27.387 14.579 ( 12.394 -0.891 3.891) 13.021 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -35.052 0.000 0.000) 35.052 2.697 ( -37.819 0.000 0.000) 37.819 3.984 ( -37.214 0.000 0.000) 37.214 4.297 ( -11.505 0.000 0.000) 11.505 5.403 ( 3.192 -0.000 -0.000) 3.192 5.589 ( -26.908 0.000 0.000) 26.908 5.744 ( -13.104 0.000 0.000) 13.104 6.603 ( -17.779 0.000 0.000) 17.779 8.849 ( 19.695 -0.000 -0.000) 19.695 9.369 ( -2.847 0.000 0.000) 2.847 11.972 ( 25.047 -0.000 -0.000) 25.047 14.770 ( 9.036 -0.000 -0.000) 9.036 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -0.000 35.408 12.140) 37.431 2.372 ( -0.000 33.041 13.834) 35.820 3.688 ( -0.000 44.440 9.234) 45.389 4.005 ( 0.000 6.354 -11.276) 12.943 5.187 ( 0.000 21.101 -18.218) 27.877 5.419 ( -0.000 3.364 -0.207) 3.371 5.606 ( -0.000 4.165 1.729) 4.510 6.543 ( -0.000 22.518 5.394) 23.155 8.960 ( 0.000 -19.402 -5.703) 20.223 9.335 ( -0.000 0.243 0.178) 0.301 12.139 ( -0.000 -21.425 3.383) 21.690 14.807 ( 0.000 -2.407 -13.060) 13.280 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.109 33.353 11.076) 35.144 2.875 ( 10.700 32.873 8.689) 35.646 4.116 ( 8.464 8.375 -10.784) 16.064 4.196 ( 8.258 33.302 9.337) 35.559 5.223 ( -0.465 1.317 -16.496) 16.555 5.589 ( 3.802 19.542 -4.788) 20.476 5.727 ( 7.918 8.060 1.562) 11.407 6.814 ( 1.471 23.945 6.494) 24.853 8.717 ( -3.632 -18.331 -4.861) 19.309 9.363 ( 2.160 1.875 0.314) 2.877 11.911 ( -1.256 -26.602 7.813) 27.754 14.674 ( -6.910 -2.846 -13.398) 15.341 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( 5.803 29.693 6.685) 30.984 3.405 ( 10.769 30.729 3.817) 32.784 4.385 ( 13.675 11.766 -8.027) 19.746 4.653 ( 9.528 20.437 8.517) 24.104 5.171 ( 0.818 -0.917 -12.711) 12.770 5.781 ( 4.492 9.097 -4.807) 11.227 6.084 ( 15.475 18.203 -2.781) 24.054 7.092 ( 1.296 21.603 7.264) 22.828 8.467 ( -4.499 -13.409 -3.130) 14.486 9.453 ( 4.120 5.160 0.592) 6.629 11.600 ( -5.999 -28.593 9.481) 30.715 14.445 ( -9.825 -4.947 -12.396) 16.573 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 10.548 24.705 3.406) 27.077 3.868 ( 8.511 27.487 -1.208) 28.800 4.729 ( 12.395 12.327 -4.359) 18.016 4.958 ( 5.942 9.165 0.354) 10.929 5.203 ( 6.170 3.848 -2.510) 7.692 5.914 ( 4.465 5.010 -5.304) 8.554 6.519 ( 14.525 15.459 -4.432) 21.670 7.328 ( 2.277 15.062 7.709) 17.073 8.305 ( -2.057 -4.950 -1.458) 5.555 9.604 ( 4.553 8.378 1.258) 9.618 11.206 ( -11.261 -24.344 7.823) 27.940 14.172 ( -9.072 -9.264 -9.766) 16.232 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( 10.901 19.250 3.088) 22.337 4.252 ( 8.242 24.027 -6.341) 26.180 4.923 ( 4.080 0.098 -3.576) 5.426 5.155 ( 6.286 14.818 -4.312) 16.663 5.412 ( 9.232 5.026 6.108) 12.157 5.996 ( 3.670 0.580 -5.839) 6.921 6.805 ( 2.192 14.283 -3.597) 14.891 7.544 ( 6.934 7.750 7.708) 12.944 8.292 ( 3.108 0.433 -0.988) 3.290 9.740 ( 0.998 3.943 2.867) 4.977 10.834 ( -12.532 -7.950 3.617) 15.275 13.896 ( -5.573 -14.780 -6.461) 17.066 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 3.135 15.607 2.520) 16.117 4.617 ( 12.502 17.193 -8.144) 22.764 4.948 ( 2.655 -2.421 -2.733) 4.514 5.372 ( 1.910 14.404 -2.482) 14.741 5.617 ( 7.537 2.311 6.013) 9.914 6.011 ( 1.725 -3.419 -5.211) 6.466 6.889 ( -8.622 17.765 -1.149) 19.780 7.735 ( 4.211 4.673 4.980) 8.023 8.392 ( 9.499 -3.311 0.406) 10.067 9.672 ( -4.777 -11.392 3.586) 12.863 10.713 ( -10.096 20.575 0.010) 22.919 13.658 ( 0.495 -19.799 -3.560) 20.122 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.358 ( -4.381 12.895 0.634) 13.634 4.924 ( 7.908 6.916 -5.314) 11.773 4.972 ( 5.695 -2.549 -0.513) 6.260 5.478 ( -3.434 10.346 -2.292) 11.139 5.730 ( 1.229 -0.417 1.223) 1.783 5.980 ( 1.574 -2.659 -0.990) 3.244 6.890 ( -13.136 21.518 -0.130) 25.211 7.798 ( -1.760 2.512 0.236) 3.076 8.519 ( 10.415 -9.388 4.053) 14.596 9.485 ( -0.433 -13.214 1.498) 13.306 10.788 ( -14.821 32.475 -0.234) 35.698 13.518 ( 8.910 -21.539 -1.522) 23.359 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -10.100 8.685 -0.331) 13.324 4.969 ( 0.512 -0.343 -0.997) 1.172 5.073 ( 1.395 -2.882 4.713) 5.698 5.424 ( -8.345 2.021 -6.560) 10.806 5.653 ( -7.400 1.171 -2.180) 7.802 6.044 ( 4.987 0.602 1.859) 5.356 6.875 ( -13.194 21.902 -0.992) 25.588 7.743 ( -4.213 -1.596 -2.504) 5.154 8.559 ( 3.980 -11.615 6.165) 13.738 9.458 ( 9.087 -7.424 -0.273) 11.738 10.792 ( -20.464 29.146 -0.021) 35.613 13.543 ( 16.759 -17.393 0.007) 24.154 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( -15.578 3.303 -0.464) 15.932 4.842 ( -18.411 -1.885 5.549) 19.321 5.037 ( -0.723 -1.316 4.494) 4.738 5.260 ( -5.649 -2.743 -9.664) 11.525 5.520 ( -10.309 3.006 -1.174) 10.802 6.117 ( 1.619 0.141 0.931) 1.873 6.871 ( -9.819 18.025 -2.515) 20.679 7.611 ( -5.783 -6.406 -1.489) 8.758 8.467 ( -3.845 -9.132 4.661) 10.950 9.605 ( 11.218 -2.441 -0.659) 11.500 10.705 ( -14.739 19.110 -0.473) 24.139 13.736 ( 20.213 -9.897 1.241) 22.540 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -21.617 -0.628 0.043) 21.626 4.424 ( -28.287 -0.192 3.741) 28.534 5.003 ( -5.995 0.007 1.055) 6.087 5.093 ( -8.940 -2.231 -3.611) 9.897 5.363 ( -7.981 0.989 -0.764) 8.079 6.099 ( -4.047 0.198 0.390) 4.071 6.850 ( -9.820 10.365 -2.737) 14.538 7.402 ( -9.444 -8.671 1.230) 12.880 8.328 ( -4.137 -3.098 1.220) 5.310 9.689 ( -1.794 0.267 -0.203) 1.825 10.763 ( 7.650 8.052 -1.005) 11.152 14.024 ( 19.547 -3.592 1.521) 19.932 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( -27.773 0.000 0.000) 27.773 3.908 ( -31.815 0.000 0.000) 31.815 4.803 ( -15.551 0.000 0.000) 15.551 4.866 ( -15.821 0.000 0.000) 15.821 5.309 ( 0.648 -0.000 -0.000) 0.648 5.994 ( -7.864 0.000 0.000) 7.864 6.643 ( -20.542 0.000 0.000) 20.542 7.154 ( -13.250 0.000 0.000) 13.250 8.329 ( 6.341 -0.000 -0.000) 6.341 9.582 ( -8.543 0.000 0.000) 8.543 11.086 ( 22.880 -0.000 -0.000) 22.880 14.326 ( 16.608 -0.000 -0.000) 16.608 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -0.000 28.134 12.765) 30.894 3.088 ( -0.000 35.727 7.299) 36.465 4.085 ( 0.000 9.749 -12.685) 15.998 4.482 ( -0.000 29.294 8.349) 30.461 5.167 ( 0.000 -2.307 -15.479) 15.650 5.699 ( -0.000 3.838 1.825) 4.250 5.775 ( 0.000 23.392 -8.054) 24.739 7.093 ( -0.000 27.949 6.832) 28.772 8.554 ( 0.000 -16.474 -4.152) 16.990 9.359 ( -0.000 2.120 0.189) 2.129 11.663 ( -0.000 -29.540 8.537) 30.749 14.665 ( 0.000 -3.789 -12.020) 12.603 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( -1.379 26.871 8.551) 28.232 3.553 ( 8.240 30.779 5.106) 32.270 4.255 ( 10.658 13.102 -10.780) 20.037 4.782 ( 2.656 19.606 5.828) 20.626 5.104 ( 0.876 -1.091 -11.980) 12.062 5.783 ( 3.793 5.152 -0.752) 6.442 6.019 ( 7.773 16.367 -7.011) 19.428 7.376 ( -1.862 25.697 6.460) 26.562 8.392 ( -1.752 -9.041 -2.248) 9.479 9.424 ( 4.171 4.029 0.302) 5.807 11.377 ( -0.990 -31.555 8.864) 32.792 14.519 ( -7.400 -5.038 -10.712) 13.960 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 3.616 22.075 4.670) 22.852 3.995 ( 7.849 27.205 0.033) 28.315 4.603 ( 14.404 14.229 -6.348) 21.218 4.949 ( 3.147 4.751 -6.989) 9.018 5.165 ( 4.333 8.319 3.278) 9.936 5.890 ( 2.737 5.038 -4.703) 7.416 6.332 ( 16.154 8.292 -3.693) 18.530 7.555 ( -3.935 16.203 5.443) 17.540 8.325 ( -2.524 3.864 -0.258) 4.623 9.585 ( 7.093 7.274 0.958) 10.205 11.062 ( -2.234 -29.955 7.392) 30.934 14.253 ( -12.088 -7.373 -8.770) 16.655 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 8.461 17.907 3.031) 20.036 4.358 ( 5.770 23.230 -5.209) 24.496 4.842 ( 4.362 1.476 -4.686) 6.570 5.125 ( 11.542 12.950 -6.617) 18.566 5.361 ( 5.897 6.928 8.293) 12.311 5.936 ( 1.182 1.270 -6.794) 7.012 6.705 ( 18.495 6.594 -1.799) 19.718 7.629 ( -2.082 8.010 5.922) 10.177 8.347 ( -4.464 10.501 -0.371) 11.417 9.760 ( 2.512 3.868 2.988) 5.495 10.814 ( 1.707 -16.343 3.503) 16.801 13.912 ( -13.383 -11.387 -6.291) 18.665 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 9.148 14.239 2.829) 17.159 4.624 ( 4.619 16.430 -8.411) 19.027 4.879 ( 2.353 -0.153 -2.947) 3.774 5.426 ( 7.762 13.300 -2.838) 15.659 5.546 ( 6.325 3.546 7.718) 10.590 5.924 ( 1.179 -2.657 -6.987) 7.567 7.051 ( 9.942 12.234 -1.656) 15.851 7.721 ( 4.047 3.460 7.940) 9.560 8.344 ( -5.263 5.808 -1.921) 8.070 9.673 ( -7.650 -12.302 4.055) 15.044 10.911 ( 8.946 13.726 0.026) 16.384 13.537 ( -10.887 -17.492 -3.823) 20.955 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.519 ( 2.106 12.214 1.184) 12.451 4.805 ( 7.621 4.093 -4.828) 9.907 4.917 ( 1.478 2.612 -2.356) 3.815 5.605 ( -0.401 9.508 -3.188) 10.036 5.693 ( 4.923 1.830 6.488) 8.347 5.904 ( 2.854 -2.738 -5.016) 6.387 7.259 ( -3.292 18.997 -1.071) 19.310 7.860 ( 2.629 3.709 6.024) 7.547 8.288 ( 1.623 -6.618 -0.798) 6.861 9.401 ( -5.905 -15.068 2.036) 16.312 11.261 ( 1.290 31.764 -0.247) 31.791 13.191 ( -1.950 -25.110 -1.950) 25.261 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.578 ( -6.892 8.420 -0.946) 10.922 4.931 ( 3.773 -1.140 2.186) 4.507 4.980 ( 6.043 1.228 -2.763) 6.757 5.559 ( -8.033 0.036 -4.823) 9.370 5.777 ( -1.744 4.786 2.729) 5.779 5.956 ( 5.392 -0.255 -0.654) 5.437 7.325 ( -11.619 20.911 0.359) 23.925 7.829 ( -8.613 0.279 -2.277) 8.913 8.324 ( 11.317 -11.780 4.943) 17.066 9.254 ( 3.783 -9.362 0.233) 10.100 11.458 ( -18.673 32.571 0.008) 37.544 13.037 ( 16.015 -24.940 -0.713) 29.648 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( -12.887 3.081 -0.655) 13.266 4.958 ( 0.460 -0.254 -0.213) 0.567 5.086 ( 3.413 0.461 5.549) 6.531 5.330 ( -13.464 -3.184 -6.993) 15.502 5.734 ( -8.652 3.747 0.602) 9.448 6.049 ( 5.254 -0.571 0.416) 5.301 7.276 ( -16.061 16.563 0.101) 23.071 7.641 ( -6.266 -7.113 -2.475) 9.798 8.399 ( 4.818 -6.055 3.523) 8.502 9.346 ( 12.968 -3.046 -0.276) 13.324 11.266 ( -27.911 14.829 -0.053) 31.606 13.241 ( 25.367 -10.164 0.108) 27.328 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( -17.523 0.000 0.000) 17.523 4.854 ( -17.884 0.000 0.000) 17.884 5.068 ( -5.200 0.000 0.000) 5.200 5.148 ( -0.621 0.000 0.000) 0.621 5.567 ( -12.323 0.000 0.000) 12.323 6.114 ( 1.996 -0.000 -0.000) 1.996 7.101 ( -13.130 0.000 0.000) 13.130 7.492 ( -6.392 0.000 0.000) 6.392 8.386 ( -2.959 0.000 0.000) 2.959 9.577 ( 12.931 -0.000 -0.000) 12.931 10.911 ( -18.070 0.000 0.000) 18.070 13.628 ( 23.659 -0.000 -0.000) 23.659 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( -0.000 16.899 9.057) 19.173 3.819 ( -0.000 34.161 1.175) 34.181 4.265 ( 0.000 16.556 -10.203) 19.447 4.905 ( 0.000 5.095 -7.616) 9.163 5.098 ( -0.000 8.970 1.451) 9.087 5.777 ( -0.000 2.618 1.770) 3.160 6.082 ( 0.000 12.085 -9.368) 15.291 7.636 ( -0.000 16.615 4.154) 17.127 8.377 ( -0.000 5.707 0.768) 5.759 9.419 ( -0.000 3.652 0.094) 3.653 11.091 ( -0.000 -32.446 8.439) 33.525 14.500 ( 0.000 -5.938 -9.297) 11.032 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 1.425 12.837 4.540) 13.690 4.173 ( 3.204 29.631 -2.982) 29.953 4.520 ( 10.361 18.202 -5.951) 21.773 4.885 ( 1.845 -1.383 -11.636) 11.862 5.245 ( 1.239 11.411 8.448) 14.252 5.856 ( 4.735 2.604 -0.347) 5.415 6.184 ( 5.892 4.773 -6.710) 10.126 7.722 ( -1.769 4.154 1.958) 4.921 8.506 ( -3.083 20.948 3.154) 21.407 9.523 ( 6.924 5.471 0.327) 8.830 10.790 ( -0.373 -31.555 7.124) 32.352 14.338 ( -7.924 -6.994 -7.676) 13.063 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( 6.284 11.507 2.354) 13.321 4.477 ( 3.792 21.481 -8.518) 23.417 4.791 ( 3.402 5.581 -2.691) 7.069 4.993 ( 13.336 10.497 -7.348) 18.494 5.397 ( 2.016 7.263 9.655) 12.249 5.926 ( 0.635 2.008 -4.999) 5.425 6.400 ( 18.102 1.335 -1.339) 18.200 7.720 ( -1.473 1.206 1.963) 2.734 8.640 ( -8.411 21.738 2.376) 23.429 9.737 ( 7.215 6.014 2.034) 9.611 10.538 ( 5.192 -24.627 3.871) 25.464 14.046 ( -14.172 -8.364 -5.692) 17.413 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 9.866 9.981 1.952) 14.169 4.658 ( 3.438 8.410 -10.502) 13.887 4.874 ( 1.203 7.644 -0.935) 7.794 5.342 ( 13.770 10.649 -3.749) 17.807 5.524 ( 3.357 3.257 9.406) 10.504 5.899 ( -2.069 -0.089 -6.203) 6.540 6.805 ( 24.182 4.377 0.236) 24.576 7.722 ( 0.201 0.213 3.094) 3.107 8.642 ( -13.777 15.688 0.473) 20.884 9.714 ( -8.539 -10.512 3.958) 14.109 10.686 ( 24.012 2.238 -0.018) 24.116 13.653 ( -18.386 -10.701 -3.595) 21.575 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.508 ( 10.202 7.829 1.385) 12.934 4.729 ( 3.164 1.114 -5.321) 6.290 4.953 ( -0.692 6.601 -2.138) 6.973 5.624 ( 8.611 7.289 -0.988) 11.325 5.649 ( 4.899 2.179 6.709) 8.588 5.833 ( -1.359 -1.767 -6.120) 6.513 7.274 ( 19.847 10.592 -1.101) 22.524 7.757 ( 4.605 -3.566 5.286) 7.866 8.479 ( -18.121 7.467 -1.076) 19.629 9.409 ( -10.661 -13.226 2.093) 17.117 11.256 ( 27.409 17.343 -0.203) 32.435 13.177 ( -20.441 -15.281 -1.862) 25.590 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( 0.984 6.035 -1.736) 6.357 4.795 ( 8.537 -1.534 1.493) 8.801 4.962 ( -1.743 1.580 -1.824) 2.977 5.671 ( -5.688 0.733 -1.701) 5.982 5.794 ( 5.656 2.476 5.700) 8.403 5.854 ( 5.391 0.266 -4.818) 7.235 7.601 ( 0.908 14.857 -2.024) 15.021 7.896 ( 16.015 -5.706 5.455) 17.855 8.170 ( -18.883 -2.338 -1.610) 19.095 9.171 ( -4.135 -7.036 0.452) 8.173 11.901 ( 16.599 29.615 0.188) 33.950 12.648 ( -13.750 -26.575 -0.871) 29.934 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( -7.923 0.000 0.000) 7.923 4.945 ( 0.158 -0.000 -0.000) 0.158 4.967 ( 9.376 -0.000 -0.000) 9.376 5.528 ( -10.407 0.000 0.000) 10.407 5.860 ( -2.783 0.000 0.000) 2.783 5.941 ( 6.700 -0.000 -0.000) 6.700 7.646 ( -3.154 0.000 0.000) 3.154 7.742 ( -22.596 0.000 0.000) 22.596 8.200 ( 14.804 -0.000 -0.000) 14.804 9.154 ( 5.989 -0.000 -0.000) 5.989 11.894 ( -33.077 0.000 0.000) 33.077 12.679 ( 31.460 -0.000 -0.000) 31.460 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -0.000 6.642 2.137) 6.977 4.427 ( 0.000 26.889 -10.049) 28.706 4.599 ( 0.000 19.110 -3.499) 19.428 4.819 ( 0.000 -0.796 -6.609) 6.656 5.370 ( -0.000 9.338 9.270) 13.158 5.822 ( -0.000 0.841 1.499) 1.719 6.148 ( 0.000 0.830 -7.176) 7.224 7.749 ( -0.000 -0.485 0.638) 0.801 8.803 ( -0.000 27.136 4.260) 27.468 9.497 ( -0.000 3.892 -0.027) 3.893 10.510 ( -0.000 -29.395 6.309) 30.064 14.316 ( 0.000 -7.106 -6.412) 9.572 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( 4.747 5.372 0.793) 7.213 4.576 ( 0.329 11.205 -15.265) 18.939 4.844 ( 1.855 14.211 0.444) 14.339 4.876 ( 8.530 10.421 -2.911) 13.778 5.479 ( -0.095 6.020 9.552) 11.291 5.891 ( 4.897 1.656 -0.444) 5.188 6.163 ( 6.725 -2.406 -3.960) 8.167 7.741 ( -0.515 -0.241 0.575) 0.808 9.017 ( -6.672 23.071 3.068) 24.212 9.639 ( 10.507 5.722 0.609) 11.980 10.246 ( 0.021 -25.519 4.369) 25.890 14.155 ( -8.326 -6.811 -4.780) 11.771 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 9.400 4.902 0.831) 10.634 4.620 ( 2.592 2.344 -9.798) 10.403 4.966 ( -0.316 10.978 -0.820) 11.013 5.187 ( 13.138 9.156 -2.814) 16.260 5.546 ( 0.412 1.913 8.121) 8.354 5.931 ( -1.841 1.637 -3.447) 4.237 6.403 ( 22.887 -0.351 0.320) 22.892 7.733 ( -0.529 -0.011 0.798) 0.958 9.047 ( -12.906 15.785 1.279) 20.430 9.770 ( -5.739 -6.365 3.398) 9.219 10.227 ( 24.171 -5.548 -0.038) 24.799 13.868 ( -15.829 -6.030 -2.909) 17.186 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.373 ( 11.496 3.202 0.675) 11.953 4.664 ( 3.480 0.348 -3.864) 5.212 5.031 ( -1.446 5.215 -1.366) 5.581 5.475 ( 13.095 3.969 -1.453) 13.760 5.607 ( 3.311 0.563 4.798) 5.856 5.873 ( -4.252 0.324 -2.705) 5.050 6.877 ( 29.032 2.074 0.387) 29.108 7.726 ( -0.385 -0.554 0.988) 1.196 8.893 ( -18.748 7.771 0.175) 20.295 9.509 ( -12.112 -8.250 1.559) 14.737 10.781 ( 35.722 4.142 -0.165) 35.961 13.473 ( -22.661 -4.752 -1.206) 23.186 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( 11.594 -0.000 -0.000) 11.594 4.715 ( 2.628 -0.000 -0.000) 2.628 5.015 ( -2.685 0.000 0.000) 2.685 5.695 ( 9.062 -0.000 -0.000) 9.062 5.703 ( 6.127 -0.000 -0.000) 6.127 5.788 ( -3.985 0.000 0.000) 3.985 7.402 ( 28.774 -0.000 -0.000) 28.774 7.712 ( -0.860 0.000 0.000) 0.860 8.565 ( -22.860 0.000 0.000) 22.860 9.265 ( -10.439 0.000 0.000) 10.439 11.459 ( 38.034 -0.000 -0.000) 38.034 12.994 ( -28.738 0.000 0.000) 28.738 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -0.000 2.684 -0.167) 2.690 4.584 ( 0.000 1.981 -13.315) 13.461 4.908 ( -0.000 11.907 -0.721) 11.929 4.982 ( -0.000 12.999 -0.331) 13.003 5.577 ( -0.000 5.955 9.192) 10.952 5.832 ( -0.000 -0.489 0.911) 1.034 6.074 ( 0.000 -3.463 -4.429) 5.622 7.745 ( -0.000 0.080 0.258) 0.270 9.307 ( -0.000 18.802 2.284) 18.940 9.564 ( -0.000 2.506 -0.064) 2.507 10.044 ( -0.000 -19.141 3.665) 19.489 14.155 ( 0.000 -5.255 -3.409) 6.264 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 6.406 1.624 -0.007) 6.609 4.571 ( 1.307 0.383 -6.140) 6.289 5.049 ( 3.116 5.666 -0.228) 6.470 5.094 ( 3.727 7.182 -1.712) 8.270 5.606 ( -3.096 1.747 4.984) 6.122 5.946 ( 5.315 4.222 0.905) 6.848 6.065 ( 9.752 -5.030 -2.233) 11.198 7.744 ( -0.403 0.145 0.180) 0.465 9.371 ( -8.381 10.083 0.643) 13.128 9.745 ( 13.051 3.708 1.059) 13.609 9.871 ( -0.121 -12.456 1.141) 12.509 14.030 ( -8.538 -2.976 -1.675) 9.196 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.195 ( 10.521 -0.000 -0.000) 10.521 4.601 ( 2.924 -0.000 -0.000) 2.924 5.081 ( -1.115 0.000 0.000) 1.115 5.274 ( 11.592 -0.000 -0.000) 11.592 5.588 ( -0.133 0.000 0.000) 0.133 5.941 ( -3.498 0.000 0.000) 3.498 6.399 ( 25.898 -0.000 -0.000) 25.898 7.736 ( -0.632 0.000 0.000) 0.632 9.229 ( -14.308 0.000 0.000) 14.308 9.662 ( -9.932 0.000 0.000) 9.932 10.208 ( 30.685 -0.000 -0.000) 30.685 13.794 ( -16.519 0.000 0.000) 16.519 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( -0.000 0.000 -0.000) 0.000 4.551 ( -0.000 0.000 0.000) 0.000 5.030 ( -0.000 0.000 0.000) 0.000 5.116 ( -0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 -0.000) 0.000 5.827 ( -0.000 0.000 -0.000) 0.000 6.005 ( -0.000 0.000 0.000) 0.000 7.749 ( -0.000 0.000 -0.000) 0.000 9.519 ( -0.000 0.000 0.000) 0.000 9.589 ( -0.000 0.000 0.000) 0.000 9.846 ( -0.000 -0.000 0.000) 0.000 14.087 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -0.000 0.000 35.137) 35.137 0.338 ( -0.000 0.000 35.137) 35.137 0.599 ( -0.000 0.000 62.336) 62.336 3.922 ( 0.000 -0.000 -4.322) 4.322 3.922 ( 0.000 -0.000 -4.322) 4.322 5.435 ( -0.000 0.000 1.021) 1.021 5.435 ( -0.000 0.000 1.021) 1.021 7.170 ( 0.000 -0.000 -10.711) 10.711 9.375 ( -0.000 0.000 0.338) 0.338 9.375 ( -0.000 0.000 0.338) 0.338 9.754 ( -0.000 0.000 3.905) 3.905 15.292 ( -0.000 0.000 0.108) 0.108 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 26.316 15.193 14.262) 33.567 0.824 ( 20.212 11.669 26.358) 35.206 1.566 ( 50.336 29.061 28.151) 64.581 3.954 ( 3.189 1.841 -3.958) 5.406 4.310 ( 16.194 9.349 -20.323) 27.616 5.456 ( 1.556 0.898 1.102) 2.108 5.464 ( 1.192 0.688 0.973) 1.685 6.089 ( -8.142 -4.701 21.317) 23.298 9.369 ( -0.688 -0.397 0.588) 0.988 9.607 ( -7.247 -4.184 -5.806) 10.185 12.227 ( 51.848 29.934 -77.595) 98.007 14.979 ( -13.630 -7.869 0.703) 15.754 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 25.141 14.515 12.637) 31.661 1.473 ( 29.193 16.855 7.111) 34.451 2.792 ( 47.786 27.589 19.044) 58.372 4.043 ( 5.574 3.218 -3.400) 7.279 4.655 ( 19.860 11.466 -16.775) 28.413 5.472 ( -0.123 -0.071 -1.371) 1.379 5.509 ( 2.674 1.544 1.001) 3.246 6.219 ( 11.344 6.550 8.437) 15.582 9.351 ( -12.954 -7.479 -5.297) 15.868 9.352 ( -0.812 -0.469 0.654) 1.143 12.578 ( 0.057 0.033 -7.701) 7.701 14.726 ( -6.040 -3.487 -19.079) 20.313 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 28.118 16.234 3.038) 32.609 2.159 ( 28.341 16.363 4.100) 32.982 3.837 ( 37.132 21.438 14.725) 45.334 4.188 ( 7.800 4.503 -2.657) 9.390 5.095 ( 20.050 11.576 -17.505) 29.024 5.506 ( 6.606 3.814 -1.578) 7.789 5.580 ( 3.094 1.786 0.829) 3.667 6.577 ( 16.514 9.534 6.796) 20.244 9.000 ( -15.588 -9.000 -4.035) 18.446 9.343 ( 0.030 0.017 0.512) 0.513 12.344 ( -19.495 -11.255 13.039) 26.014 14.569 ( -1.940 -1.120 -24.161) 24.265 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 30.112 17.385 -3.402) 34.937 2.786 ( 24.664 14.240 2.016) 28.550 4.384 ( 9.737 5.622 -1.865) 11.397 4.576 ( 23.492 13.563 9.979) 28.904 5.296 ( 4.387 2.533 -8.393) 9.803 5.652 ( 2.841 1.640 0.799) 3.376 5.911 ( 25.084 14.482 -8.087) 30.072 6.995 ( 17.563 10.140 5.847) 21.106 8.642 ( -13.680 -7.898 -1.847) 15.903 9.362 ( 1.588 0.917 0.265) 1.853 11.820 ( -28.593 -16.508 14.372) 36.009 14.463 ( -1.662 -0.960 -19.091) 19.187 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 18.591 10.734 0.460) 21.472 3.418 ( 31.037 17.919 -7.277) 36.570 4.619 ( 10.804 6.238 -1.295) 12.543 4.974 ( 9.091 5.249 1.888) 10.666 5.418 ( 8.793 5.077 1.454) 10.257 5.712 ( 2.028 1.171 0.988) 2.542 6.380 ( 15.343 8.858 -9.421) 20.065 7.396 ( 14.610 8.435 3.829) 17.299 8.421 ( -3.499 -2.020 1.194) 4.213 9.418 ( 3.106 1.793 0.067) 3.587 11.162 ( -30.957 -17.873 10.430) 37.237 14.362 ( -2.783 -1.607 -12.324) 12.736 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 11.842 6.837 -0.270) 13.676 4.100 ( 29.842 17.229 -9.277) 35.685 4.858 ( 9.784 5.649 -1.088) 11.350 5.079 ( 2.157 1.245 -1.994) 3.190 5.673 ( 10.432 6.023 6.538) 13.706 5.750 ( 0.877 0.506 1.203) 1.572 6.510 ( -1.350 -0.780 -8.059) 8.209 7.639 ( 5.960 3.441 1.933) 7.149 8.530 ( 10.730 6.195 3.264) 12.813 9.498 ( 3.589 2.072 -0.024) 4.145 10.504 ( -27.290 -15.756 6.132) 32.102 14.261 ( -3.109 -1.795 -6.963) 7.834 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 5.788 3.341 -0.152) 6.685 4.693 ( 22.307 12.879 -8.918) 27.258 5.042 ( 6.042 3.488 -0.923) 7.038 5.120 ( 2.933 1.693 -1.964) 3.915 5.761 ( -0.112 -0.065 1.101) 1.109 5.906 ( 8.010 4.625 7.041) 11.625 6.314 ( -12.358 -7.135 -6.231) 15.571 7.732 ( 2.288 1.321 0.541) 2.697 8.804 ( 9.556 5.517 4.231) 11.818 9.570 ( 2.426 1.400 -0.063) 2.802 9.996 ( -16.794 -9.696 2.834) 19.599 14.185 ( -1.734 -1.001 -3.292) 3.853 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 0.328 0.189 0.552) 0.669 4.963 ( 2.962 1.710 -2.252) 4.096 5.114 ( 0.091 0.052 -0.732) 0.739 5.226 ( 3.571 2.062 -0.919) 4.224 5.758 ( -0.303 -0.175 0.628) 0.719 5.963 ( -13.754 -7.941 -9.800) 18.662 6.118 ( 9.309 5.375 5.497) 12.073 7.754 ( -0.352 -0.203 -0.667) 0.781 8.932 ( -0.404 -0.233 5.198) 5.219 9.599 ( 0.011 0.007 -0.083) 0.084 9.792 ( -0.799 -0.461 0.832) 1.242 14.171 ( 1.162 0.671 -0.645) 1.489 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( -5.254 -3.033 1.665) 6.291 4.841 ( -16.910 -9.763 6.069) 20.448 5.039 ( -6.136 -3.543 -1.328) 7.209 5.164 ( -4.593 -2.652 3.107) 6.147 5.697 ( -6.442 -3.719 -14.561) 16.350 5.754 ( -0.231 -0.133 0.376) 0.461 6.382 ( 11.535 6.660 0.147) 13.320 7.714 ( -2.681 -1.548 -0.850) 3.210 8.814 ( -10.838 -6.257 5.321) 13.599 9.570 ( -2.398 -1.384 -0.053) 2.769 9.959 ( 14.549 8.400 -0.983) 16.829 14.237 ( 4.395 2.537 1.883) 5.413 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -11.788 -6.806 3.003) 13.939 4.286 ( -30.084 -17.369 9.552) 36.027 4.840 ( -9.960 -5.750 -2.961) 11.876 5.108 ( -3.002 -1.733 1.547) 3.796 5.500 ( -7.114 -4.108 -11.484) 14.120 5.743 ( -0.933 -0.539 0.587) 1.227 6.570 ( 3.285 1.896 -2.703) 4.657 7.628 ( -5.479 -3.163 1.387) 6.477 8.522 ( -13.077 -7.550 2.620) 15.326 9.498 ( -3.591 -2.073 0.009) 4.146 10.412 ( 24.234 13.991 -3.064) 28.150 14.377 ( 6.539 3.775 4.602) 8.843 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( -19.384 -11.192 4.108) 22.757 3.585 ( -32.722 -18.892 9.271) 38.905 4.587 ( -10.323 -5.960 -4.529) 12.751 4.922 ( -14.713 -8.495 -2.465) 17.167 5.365 ( -1.182 -0.683 -4.553) 4.753 5.711 ( -2.087 -1.205 0.849) 2.555 6.454 ( -12.899 -7.447 -2.999) 15.194 7.387 ( -17.218 -9.941 3.803) 20.242 8.395 ( 4.182 2.415 -1.372) 5.021 9.417 ( -3.209 -1.853 -0.000) 3.706 11.009 ( 27.630 15.952 -4.945) 32.285 14.555 ( 7.010 4.047 6.990) 10.695 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -26.085 -15.060 4.808) 30.502 2.850 ( -33.208 -19.173 8.390) 39.253 4.352 ( -8.527 -4.923 -5.115) 11.096 4.426 ( -26.895 -15.528 -4.721) 31.413 5.378 ( 1.755 1.013 0.052) 2.027 5.654 ( -3.057 -1.765 0.908) 3.645 5.987 ( -25.261 -14.584 -1.759) 29.222 6.936 ( -20.453 -11.809 0.967) 23.637 8.646 ( 15.574 8.991 -1.424) 18.039 9.358 ( -1.780 -1.028 -0.121) 2.059 11.620 ( 26.268 15.166 -5.930) 30.906 14.733 ( 6.108 3.526 8.064) 10.713 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -32.759 -18.914 7.905) 38.644 2.177 ( -30.021 -17.332 5.894) 35.162 3.642 ( -39.909 -23.041 -4.548) 46.307 4.165 ( -6.303 -3.639 -5.022) 8.843 5.329 ( -20.379 -11.766 5.934) 24.269 5.468 ( -3.477 -2.007 -5.897) 7.134 5.580 ( -3.429 -1.980 0.816) 4.043 6.488 ( -18.122 -10.463 -0.982) 20.949 9.030 ( 17.051 9.844 -1.148) 19.722 9.335 ( -0.190 -0.109 -0.238) 0.323 12.161 ( 21.841 12.610 -5.632) 25.841 14.879 ( 4.380 2.529 6.531) 8.261 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -31.274 -18.056 9.910) 37.447 1.487 ( -31.388 -18.122 8.480) 37.223 2.575 ( -50.799 -29.329 -1.925) 58.689 4.030 ( -4.058 -2.343 -4.783) 6.696 4.826 ( -19.196 -11.083 -0.903) 22.184 5.479 ( 0.708 0.409 -0.519) 0.968 5.507 ( -2.990 -1.726 0.756) 3.535 6.112 ( -13.593 -7.848 -0.151) 15.697 9.343 ( 0.790 0.456 -0.200) 0.934 9.389 ( 13.838 7.989 -1.695) 16.068 12.573 ( 15.050 8.689 -8.237) 19.231 14.970 ( 2.305 1.331 1.683) 3.149 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.000 28.963 23.793) 37.483 0.995 ( -0.000 30.326 23.642) 38.452 1.552 ( -0.000 49.637 32.307) 59.225 3.885 ( 0.000 1.301 -8.445) 8.545 4.291 ( 0.000 21.854 -18.027) 28.329 5.465 ( -0.000 2.067 1.612) 2.621 5.476 ( -0.000 1.970 1.101) 2.257 6.116 ( -0.000 -16.464 18.279) 24.601 9.365 ( -0.000 -1.021 0.352) 1.079 9.584 ( 0.000 -8.326 -7.354) 11.108 11.935 ( 0.000 69.437 -72.861) 100.648 15.037 ( 0.000 -13.109 0.472) 13.118 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 6.754 25.592 23.884) 35.651 1.464 ( 10.360 34.321 12.056) 37.823 2.485 ( 32.875 43.118 22.151) 58.571 3.942 ( 6.622 1.987 -8.200) 10.726 4.519 ( 7.828 20.876 -16.609) 27.802 5.467 ( -0.970 -1.333 -0.880) 1.869 5.516 ( 1.453 3.886 1.350) 4.363 6.147 ( 6.549 4.970 7.978) 11.456 9.354 ( -0.352 -1.455 0.208) 1.511 9.403 ( -6.043 -11.482 -6.596) 14.555 12.406 ( 14.365 12.502 -24.316) 30.885 14.803 ( -10.771 -5.116 -11.938) 16.873 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 15.794 23.859 13.731) 31.737 2.061 ( 15.669 32.557 6.569) 36.724 3.521 ( 34.014 31.659 17.186) 49.544 4.085 ( 8.646 4.564 -6.540) 11.762 4.870 ( 14.819 19.591 -18.681) 30.861 5.448 ( 2.040 -0.117 -2.384) 3.140 5.597 ( 1.458 6.213 1.129) 6.481 6.434 ( 13.241 10.583 6.596) 18.189 9.100 ( -10.616 -13.577 -5.774) 18.177 9.351 ( -0.177 0.260 0.611) 0.687 12.465 ( -3.913 -12.065 6.989) 14.482 14.558 ( -7.237 0.213 -23.235) 24.336 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 21.163 22.427 4.789) 31.205 2.671 ( 16.591 29.212 3.189) 33.746 4.286 ( 9.361 7.956 -4.840) 13.205 4.346 ( 25.342 19.378 13.030) 34.460 5.172 ( 8.403 5.123 -15.784) 18.601 5.638 ( 13.582 9.730 -4.923) 17.418 5.710 ( 4.811 13.419 0.461) 14.263 6.819 ( 16.031 10.321 6.572) 20.167 8.753 ( -11.625 -12.586 -3.862) 17.563 9.368 ( 0.445 2.483 0.472) 2.566 12.119 ( -19.937 -20.177 15.492) 32.320 14.408 ( -2.207 -0.345 -22.509) 22.619 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 23.063 19.791 0.603) 30.397 3.223 ( 15.580 25.549 -1.143) 29.946 4.530 ( 9.317 10.766 -3.463) 14.652 4.857 ( 13.329 8.816 5.448) 16.883 5.277 ( 8.626 0.691 -4.892) 9.941 5.772 ( 0.196 8.522 0.279) 8.529 6.167 ( 18.306 16.729 -9.239) 26.464 7.219 ( 16.502 8.422 5.844) 19.427 8.467 ( -6.892 -7.938 -1.045) 10.564 9.423 ( 1.258 5.322 0.326) 5.478 11.529 ( -28.222 -20.840 12.820) 37.352 14.308 ( -0.446 -3.784 -15.557) 16.017 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( 11.524 15.419 1.787) 19.332 3.788 ( 24.203 22.529 -7.548) 33.916 4.788 ( 8.129 11.682 -2.426) 14.438 5.031 ( 3.634 0.976 -2.599) 4.573 5.496 ( 12.748 1.983 4.200) 13.567 5.856 ( -1.398 10.208 1.013) 10.353 6.465 ( 5.092 6.199 -9.547) 12.470 7.549 ( 10.520 4.796 3.694) 12.138 8.417 ( 6.451 0.207 2.392) 6.883 9.516 ( 1.385 8.137 0.338) 8.261 10.857 ( -29.564 -17.982 8.086) 35.535 14.212 ( 0.097 -6.736 -9.129) 11.346 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 4.408 11.564 0.734) 12.397 4.400 ( 24.580 17.988 -8.999) 31.760 5.009 ( 5.235 9.475 -1.430) 10.919 5.070 ( 2.629 -0.011 -2.911) 3.923 5.702 ( 7.170 0.043 3.621) 8.033 5.946 ( -0.041 10.134 2.655) 10.476 6.423 ( -8.161 -1.306 -7.328) 11.045 7.702 ( 3.553 2.213 1.332) 4.393 8.649 ( 13.749 2.332 4.856) 14.767 9.625 ( 0.181 10.042 0.596) 10.061 10.248 ( -24.163 -12.011 3.928) 27.268 14.126 ( 1.432 -8.037 -4.768) 9.454 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( -0.770 7.950 0.574) 8.007 4.863 ( 12.934 8.660 -6.844) 17.003 5.125 ( 6.565 0.853 -1.636) 6.819 5.147 ( 0.444 6.740 -1.509) 6.922 5.763 ( -0.199 -0.616 -0.190) 0.675 6.067 ( 2.890 1.729 3.877) 5.135 6.176 ( -14.732 4.015 -5.151) 16.115 7.752 ( 0.547 0.651 -0.396) 0.938 8.868 ( 7.863 -2.542 6.515) 10.523 9.719 ( -0.656 9.486 1.068) 9.568 9.851 ( -13.636 -2.446 0.882) 13.882 14.084 ( 4.226 -7.521 -2.013) 8.859 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -5.744 4.451 1.099) 7.350 4.961 ( -2.429 -1.039 -0.295) 2.658 5.141 ( -6.503 2.477 -1.002) 7.031 5.209 ( -1.013 -3.439 3.032) 4.695 5.657 ( -4.889 -6.746 -9.477) 12.619 5.924 ( -9.510 7.413 -2.337) 12.282 6.279 ( 7.356 8.936 0.385) 11.581 7.736 ( -1.737 -1.087 -1.049) 2.302 8.882 ( -2.819 -8.265 7.447) 11.477 9.700 ( -6.263 2.583 -0.119) 6.776 9.844 ( 4.691 11.732 0.276) 12.638 14.119 ( 7.853 -5.638 0.147) 9.668 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( -11.325 0.490 2.125) 11.533 4.660 ( -25.491 -11.957 7.859) 29.233 4.990 ( -10.414 -0.128 -2.753) 10.772 5.139 ( -2.401 -1.171 2.602) 3.729 5.491 ( -3.868 -5.915 -12.088) 14.003 5.875 ( -7.093 9.227 -0.876) 11.671 6.493 ( 7.401 5.747 -3.844) 10.128 7.671 ( -3.198 -2.843 0.340) 4.292 8.667 ( -11.819 -11.326 6.082) 17.463 9.615 ( -7.811 3.866 0.022) 8.715 10.167 ( 17.730 13.903 -1.372) 22.572 14.241 ( 10.734 -3.400 2.301) 11.493 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( -18.378 -4.833 3.462) 19.316 4.041 ( -32.945 -11.892 8.441) 36.028 4.759 ( -14.138 -0.126 -4.339) 14.789 5.053 ( -8.558 -4.979 0.483) 9.913 5.342 ( -1.621 -3.421 -7.625) 8.513 5.834 ( -7.237 7.315 0.149) 10.291 6.546 ( -4.301 -0.657 -6.132) 7.519 7.539 ( -9.226 -8.337 4.505) 13.226 8.395 ( -6.063 -5.452 1.145) 8.234 9.512 ( -7.436 2.410 0.091) 7.817 10.689 ( 25.173 15.137 -2.581) 29.487 14.423 ( 11.705 -1.713 4.025) 12.496 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -26.674 -12.208 5.014) 29.760 3.380 ( -35.081 -6.476 7.252) 36.403 4.499 ( -13.386 0.031 -5.424) 14.443 4.707 ( -21.095 -10.212 -2.221) 23.541 5.336 ( 2.807 0.263 -2.514) 3.778 5.769 ( -7.377 4.884 0.579) 8.866 6.267 ( -20.694 -7.165 -5.349) 22.543 7.171 ( -19.580 -13.507 4.702) 24.247 8.457 ( 12.175 4.099 -1.697) 12.958 9.418 ( -5.297 1.276 0.044) 5.449 11.284 ( 27.075 13.697 -2.934) 30.483 14.622 ( 10.747 -0.878 4.295) 11.607 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -32.138 -14.979 6.348) 36.021 2.735 ( -36.747 -3.557 6.064) 37.414 4.112 ( -34.073 -11.990 -1.224) 36.142 4.277 ( -10.766 0.363 -5.432) 12.065 5.392 ( 3.212 0.838 -1.261) 3.551 5.672 ( -11.453 -2.135 -1.368) 11.730 5.724 ( -24.809 -4.888 -1.913) 25.358 6.717 ( -19.473 -9.966 2.100) 21.976 8.787 ( 18.778 5.698 -1.959) 19.721 9.359 ( -2.587 0.737 -0.018) 2.690 11.854 ( 25.141 10.503 -2.083) 27.326 14.791 ( 8.424 -0.934 1.891) 8.684 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -33.291 -12.336 8.300) 36.460 2.068 ( -38.198 -3.910 5.790) 38.832 3.278 ( -49.189 -9.361 2.712) 50.145 4.108 ( -7.668 1.042 -4.991) 9.208 5.120 ( -26.014 -6.957 -4.996) 27.387 5.445 ( 2.473 0.439 -1.266) 2.813 5.593 ( -6.197 1.181 0.737) 6.351 6.327 ( -17.545 -4.582 2.204) 18.267 9.158 ( 18.394 3.829 -2.618) 18.970 9.342 ( -0.309 0.493 0.074) 0.587 12.331 ( 19.999 6.820 -1.769) 21.203 14.895 ( 5.417 -2.102 -4.160) 7.147 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.000 30.398 19.623) 36.181 1.762 ( -0.000 32.375 18.928) 37.502 2.750 ( -0.000 51.604 19.446) 55.146 3.869 ( 0.000 3.614 -11.556) 12.108 4.640 ( 0.000 24.338 -16.138) 29.202 5.456 ( 0.000 -3.536 -1.964) 4.045 5.534 ( -0.000 3.523 1.814) 3.963 6.191 ( -0.000 12.718 5.391) 13.813 9.294 ( 0.000 -15.385 -7.519) 17.124 9.345 ( -0.000 -1.013 0.374) 1.080 12.331 ( 0.000 7.502 -14.181) 16.043 14.812 ( 0.000 -5.215 -13.941) 14.884 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 1.894 29.912 17.853) 34.886 2.235 ( 8.365 34.331 11.911) 37.289 3.474 ( 18.435 41.701 16.501) 48.488 3.948 ( 7.976 4.974 -11.330) 14.722 4.869 ( 4.477 23.334 -19.050) 30.454 5.413 ( 0.533 -0.884 -2.705) 2.896 5.617 ( 3.642 5.073 1.651) 6.460 6.418 ( 5.854 17.118 5.469) 18.900 9.061 ( -4.990 -17.023 -6.734) 18.974 9.347 ( 0.853 -0.118 0.466) 0.979 12.346 ( 3.110 -11.668 3.471) 12.564 14.642 ( -8.313 -0.712 -19.624) 21.324 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 8.350 28.567 10.926) 31.704 2.777 ( 10.774 33.563 6.915) 35.922 4.157 ( 12.269 8.255 -9.295) 17.466 4.215 ( 19.860 26.544 14.112) 36.030 5.066 ( 4.636 9.188 -20.287) 22.748 5.526 ( 8.750 11.419 -3.974) 14.925 5.773 ( 5.450 11.109 1.739) 12.495 6.738 ( 9.218 15.908 6.299) 19.435 8.761 ( -7.551 -16.066 -5.124) 18.476 9.380 ( 1.548 2.392 0.549) 2.902 12.171 ( -6.486 -23.682 13.282) 27.916 14.430 ( -7.968 0.895 -21.257) 22.719 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 14.084 26.035 4.546) 29.947 3.295 ( 9.936 30.000 2.839) 31.730 4.451 ( 12.314 12.232 -6.466) 18.522 4.751 ( 13.519 13.511 8.529) 20.930 5.133 ( 5.894 1.736 -11.482) 13.023 5.772 ( 7.396 7.342 -5.017) 11.566 6.101 ( 11.699 22.903 -2.854) 25.876 7.080 ( 11.600 11.921 6.731) 17.944 8.479 ( -6.344 -11.730 -2.910) 13.649 9.456 ( 2.245 6.124 0.634) 6.553 11.748 ( -17.751 -25.661 13.340) 33.934 14.254 ( -4.470 -2.851 -16.825) 17.641 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 16.104 21.940 2.529) 27.333 3.734 ( 9.361 25.846 -2.594) 27.611 4.764 ( 9.699 14.277 -3.870) 17.689 4.967 ( 3.888 2.417 -4.484) 6.409 5.323 ( 12.230 5.031 3.399) 13.654 5.918 ( 4.102 5.669 -3.509) 7.829 6.465 ( 5.364 17.803 -6.329) 19.641 7.412 ( 12.535 7.465 6.232) 15.865 8.335 ( 0.983 -4.570 -0.256) 4.682 9.581 ( 2.382 9.644 0.999) 9.984 11.173 ( -24.523 -20.969 9.011) 33.500 14.104 ( -1.433 -8.429 -10.648) 13.656 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( 5.459 16.892 3.123) 18.025 4.190 ( 18.160 21.980 -7.707) 29.535 4.977 ( 4.196 0.134 -2.463) 4.867 5.063 ( 4.137 13.411 -4.894) 14.863 5.579 ( 9.792 3.106 5.130) 11.483 6.009 ( 2.340 3.359 -2.930) 5.034 6.576 ( -6.416 11.897 -5.145) 14.463 7.657 ( 6.353 4.266 3.564) 8.442 8.437 ( 12.077 -0.642 2.950) 12.449 9.715 ( 1.023 8.346 2.055) 8.656 10.597 ( -24.963 -9.001 3.902) 26.821 13.970 ( 1.518 -12.791 -5.844) 14.145 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -1.319 13.498 1.320) 13.626 4.679 ( 17.582 14.737 -7.914) 24.268 5.017 ( 4.264 -2.099 -1.772) 5.072 5.235 ( 0.535 12.438 -2.347) 12.669 5.733 ( 3.759 0.587 1.679) 4.158 6.041 ( 1.332 -2.008 -1.250) 2.714 6.508 ( -13.542 14.772 -2.270) 20.168 7.752 ( 0.869 2.201 0.444) 2.407 8.669 ( 13.182 -3.875 6.017) 14.999 9.731 ( -2.030 -6.955 3.112) 7.885 10.250 ( -18.512 16.919 -0.143) 25.080 13.875 ( 5.432 -14.687 -2.907) 15.927 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( -6.101 9.935 0.718) 11.681 4.942 ( 4.089 3.070 -4.295) 6.677 5.119 ( 8.151 -0.467 0.023) 8.165 5.296 ( -5.014 8.049 -1.781) 9.648 5.684 ( -6.616 -4.553 -5.399) 9.678 6.042 ( 1.271 -0.435 1.806) 2.251 6.450 ( -11.055 19.253 -1.376) 22.243 7.752 ( -1.569 -0.169 -1.221) 1.995 8.797 ( 5.476 -8.953 8.070) 13.239 9.630 ( 2.688 -9.234 0.962) 9.665 10.209 ( -15.127 27.109 -0.066) 31.044 13.861 ( 10.307 -13.656 -1.085) 17.143 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( -10.968 5.643 0.859) 12.364 4.922 ( -9.369 -3.198 2.148) 10.131 5.106 ( -6.803 -4.536 3.925) 9.070 5.232 ( -5.446 2.871 -3.175) 6.927 5.489 ( -6.527 -2.113 -9.461) 11.687 6.068 ( -2.619 5.415 -0.007) 6.015 6.507 ( -2.418 15.570 -3.268) 16.092 7.694 ( -2.930 -2.652 -0.739) 4.020 8.718 ( -4.855 -12.476 7.890) 15.539 9.665 ( 6.149 -3.277 0.062) 6.968 10.245 ( -8.314 24.177 -0.398) 25.569 13.956 ( 14.535 -10.406 0.445) 17.882 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -16.849 0.129 1.588) 16.924 4.507 ( -28.388 -7.078 6.271) 29.921 4.985 ( -9.347 1.240 -3.357) 10.009 5.137 ( -5.890 -1.763 1.521) 6.333 5.341 ( -5.259 -1.223 -7.705) 9.409 6.044 ( -6.663 6.229 -0.593) 9.141 6.600 ( -1.814 9.779 -6.268) 11.756 7.590 ( -4.887 -6.798 2.745) 8.811 8.473 ( -9.796 -10.443 4.360) 14.967 9.674 ( -5.138 1.617 0.443) 5.405 10.485 ( 12.604 17.195 -1.193) 21.353 14.145 ( 16.348 -6.744 1.493) 17.747 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( -24.646 -5.587 2.837) 25.430 3.939 ( -32.342 -3.316 4.620) 32.838 4.763 ( -15.858 2.623 -4.082) 16.583 4.932 ( -14.462 -5.750 0.317) 15.567 5.290 ( 1.207 0.975 -3.706) 4.018 5.963 ( -8.281 3.977 -0.498) 9.200 6.531 ( -13.721 5.089 -7.155) 16.290 7.349 ( -13.823 -13.240 6.419) 20.188 8.334 ( 2.572 -1.172 -0.294) 2.842 9.562 ( -8.665 1.996 0.351) 8.899 10.957 ( 23.788 11.665 -0.594) 26.501 14.376 ( 15.479 -4.000 1.040) 16.021 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -31.524 -6.776 3.655) 32.451 3.348 ( -34.799 -1.971 2.764) 34.964 4.499 ( -15.810 2.272 -3.730) 16.402 4.548 ( -23.828 -3.954 1.639) 24.209 5.332 ( 3.171 0.725 -3.600) 4.852 5.836 ( -9.101 0.888 -0.971) 9.195 6.171 ( -27.883 1.122 -4.454) 28.259 6.961 ( -17.759 -8.653 4.854) 20.342 8.514 ( 15.530 2.251 -1.543) 15.768 9.445 ( -6.280 0.860 0.244) 6.343 11.492 ( 26.410 6.780 1.479) 27.306 14.588 ( 12.561 -2.609 -2.021) 12.987 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -34.327 -2.824 4.279) 34.708 2.704 ( -37.428 -3.063 1.418) 37.580 4.013 ( -36.700 1.795 5.921) 37.218 4.281 ( -11.695 2.372 -3.341) 12.392 5.361 ( -0.364 -1.153 -8.736) 8.820 5.580 ( -23.488 1.759 -1.727) 23.617 5.748 ( -12.903 -0.351 0.749) 12.929 6.624 ( -17.846 -0.080 4.166) 18.326 8.837 ( 19.421 0.633 -2.317) 19.569 9.371 ( -2.844 0.049 0.294) 2.859 11.995 ( 24.877 2.232 4.758) 25.426 14.729 ( 8.212 -2.688 -8.565) 12.167 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -0.000 32.327 13.447) 35.012 2.517 ( -0.000 31.504 16.327) 35.484 3.804 ( -0.000 41.833 14.689) 44.337 3.886 ( 0.000 6.206 -13.517) 14.873 4.991 ( 0.000 18.185 -22.289) 28.766 5.410 ( 0.000 5.228 -1.795) 5.527 5.623 ( -0.000 4.166 1.756) 4.520 6.596 ( -0.000 23.127 5.426) 23.755 8.901 ( 0.000 -18.599 -6.435) 19.681 9.337 ( -0.000 0.187 0.360) 0.406 12.192 ( -0.000 -17.877 7.745) 19.483 14.649 ( 0.000 -0.582 -19.323) 19.332 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -0.699 31.049 11.575) 33.144 2.969 ( 8.230 31.348 11.026) 34.234 4.002 ( 9.820 8.577 -12.876) 18.324 4.305 ( 8.380 30.952 13.124) 34.648 5.039 ( 0.600 5.344 -21.285) 21.954 5.546 ( 3.102 16.261 -4.280) 17.099 5.744 ( 7.741 7.189 1.713) 10.702 6.874 ( 1.652 24.453 5.920) 25.213 8.668 ( -3.296 -17.327 -5.072) 18.353 9.366 ( 2.256 1.827 0.392) 2.930 12.006 ( -0.432 -26.531 12.100) 29.163 14.519 ( -7.207 0.299 -18.783) 20.120 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 4.065 28.250 6.731) 29.324 3.451 ( 8.609 29.021 5.957) 30.852 4.300 ( 15.624 12.549 -9.649) 22.242 4.738 ( 8.378 16.811 8.449) 20.596 5.040 ( 3.225 3.289 -13.801) 14.549 5.730 ( 4.249 9.818 -5.732) 12.137 6.068 ( 14.730 15.898 -0.732) 21.685 7.156 ( 1.591 21.705 6.062) 22.591 8.436 ( -4.030 -12.333 -3.206) 13.365 9.459 ( 4.284 5.237 0.585) 6.791 11.706 ( -5.954 -30.470 12.435) 33.444 14.309 ( -9.476 -1.548 -15.780) 18.471 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( 9.716 24.469 3.414) 26.548 3.865 ( 6.441 25.336 0.539) 26.148 4.682 ( 14.083 13.567 -5.285) 20.257 4.920 ( 3.618 4.161 -7.835) 9.581 5.216 ( 9.394 9.262 4.744) 14.020 5.859 ( 4.567 4.553 -6.023) 8.824 6.484 ( 13.533 15.686 -2.846) 20.911 7.396 ( 2.838 15.107 6.383) 16.644 8.290 ( -1.679 -4.436 -1.585) 5.001 9.616 ( 4.862 8.887 1.245) 10.206 11.288 ( -12.229 -26.771 9.131) 30.816 14.071 ( -8.083 -6.661 -11.055) 15.229 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 11.284 19.332 3.460) 22.651 4.197 ( 6.178 22.524 -5.091) 23.904 4.886 ( 4.366 -0.600 -4.287) 6.148 5.103 ( 7.698 16.474 -6.049) 19.164 5.476 ( 8.927 5.820 6.914) 12.703 5.938 ( 4.191 -0.188 -6.187) 7.475 6.772 ( 2.296 15.406 -3.248) 15.911 7.614 ( 6.144 8.474 6.699) 12.427 8.284 ( 3.940 -0.279 -0.504) 3.982 9.768 ( 1.439 5.167 2.925) 6.109 10.870 ( -14.005 -10.605 3.835) 17.980 13.833 ( -4.480 -13.169 -6.519) 15.362 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.250 ( 2.068 15.114 2.638) 15.481 4.543 ( 12.795 17.415 -7.124) 22.754 4.922 ( 3.459 -1.865 -2.739) 4.790 5.342 ( 2.509 14.936 -3.402) 15.522 5.670 ( 6.023 2.552 4.785) 8.105 5.961 ( 3.104 -3.686 -4.956) 6.912 6.875 ( -7.924 18.598 -1.667) 20.284 7.775 ( 1.471 5.386 3.342) 6.507 8.408 ( 11.833 -4.416 2.772) 12.931 9.708 ( -5.274 -11.777 3.787) 13.448 10.712 ( -10.535 19.949 -0.172) 22.560 13.624 ( 1.288 -18.895 -3.380) 19.238 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.363 ( -4.764 12.322 0.534) 13.221 4.867 ( 9.042 8.234 -6.382) 13.794 4.972 ( 6.423 -1.474 0.397) 6.602 5.453 ( -3.314 9.572 -2.687) 10.479 5.731 ( -2.191 -0.144 -0.872) 2.362 5.975 ( 4.249 -2.168 -0.301) 4.779 6.887 ( -13.182 21.918 -0.372) 25.580 7.794 ( -3.271 2.029 -0.841) 3.939 8.571 ( 11.939 -9.838 6.718) 16.866 9.500 ( -1.242 -14.070 1.601) 14.215 10.786 ( -14.680 32.623 -0.259) 35.774 13.503 ( 9.455 -21.013 -1.664) 23.102 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( -10.005 8.152 0.041) 12.905 4.952 ( 1.348 0.709 -2.769) 3.160 5.113 ( 5.867 -0.922 3.208) 6.750 5.362 ( -11.244 -0.900 -5.514) 12.556 5.633 ( -8.629 4.147 -2.076) 9.797 6.053 ( 4.815 0.201 -0.106) 4.820 6.866 ( -14.185 22.193 -0.770) 26.350 7.722 ( -3.964 -2.166 -1.756) 4.846 8.626 ( 4.059 -12.587 7.697) 15.302 9.458 ( 8.791 -7.737 0.177) 11.712 10.791 ( -20.532 29.131 -0.112) 35.639 13.540 ( 17.324 -17.054 -0.622) 24.317 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( -15.274 2.967 0.393) 15.565 4.880 ( -15.135 -2.242 2.406) 15.489 5.072 ( -7.033 -0.926 -0.192) 7.096 5.181 ( -0.617 -2.968 -3.724) 4.802 5.504 ( -11.423 5.033 -2.225) 12.679 6.113 ( 1.496 0.337 -1.909) 2.449 6.845 ( -11.204 18.650 -2.702) 21.923 7.609 ( -4.388 -6.167 1.032) 7.638 8.514 ( -4.765 -11.094 4.989) 13.064 9.605 ( 11.338 -2.554 0.667) 11.641 10.700 ( -15.078 19.216 -0.537) 24.431 13.741 ( 20.728 -9.908 -0.087) 22.974 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -21.230 -1.064 1.202) 21.290 4.445 ( -28.158 -2.648 0.657) 28.290 4.985 ( -6.629 0.896 -4.390) 8.001 5.095 ( -7.976 -1.520 3.759) 8.947 5.345 ( -8.359 2.650 -2.933) 9.246 6.090 ( -3.809 0.506 -2.317) 4.487 6.812 ( -10.743 12.473 -4.847) 17.160 7.435 ( -8.253 -9.741 5.443) 13.878 8.338 ( -5.052 -4.368 0.942) 6.744 9.693 ( -1.880 0.096 1.023) 2.143 10.759 ( 7.671 8.585 0.139) 11.514 14.027 ( 19.722 -4.226 -0.888) 20.189 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( -27.629 -1.210 1.485) 27.695 3.901 ( -31.390 -2.652 -1.399) 31.533 4.791 ( -15.403 1.972 -2.155) 15.678 4.886 ( -15.940 0.363 3.721) 16.372 5.292 ( 0.237 1.000 -3.448) 3.597 5.985 ( -7.640 0.337 -1.910) 7.882 6.619 ( -20.567 3.668 -4.545) 21.380 7.184 ( -13.446 -3.602 5.652) 15.024 8.326 ( 6.214 0.281 -0.601) 6.250 9.585 ( -8.666 -0.122 0.589) 8.687 11.100 ( 23.336 0.926 2.929) 23.538 14.307 ( 16.128 -1.257 -3.840) 16.626 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -31.981 2.871 0.981) 32.124 3.296 ( -34.434 -3.020 -2.192) 34.635 4.528 ( -15.087 1.450 -1.429) 15.223 4.592 ( -23.412 5.755 6.398) 24.944 5.310 ( 1.848 0.620 -5.692) 6.016 5.832 ( -9.056 -0.415 -1.351) 9.166 6.178 ( -29.209 1.689 -3.617) 29.480 6.959 ( -15.984 5.501 4.502) 17.493 8.519 ( 15.292 -0.912 -1.046) 15.355 9.446 ( -6.232 -0.944 0.375) 6.314 11.547 ( 27.539 -4.350 7.060) 28.761 14.515 ( 10.915 -0.624 -9.409) 14.424 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -0.000 32.939 6.443) 33.563 3.206 ( -0.000 26.652 14.380) 30.284 3.956 ( 0.000 10.309 -14.163) 17.518 4.575 ( -0.000 26.406 10.901) 28.568 5.000 ( 0.000 1.653 -18.790) 18.862 5.707 ( 0.000 20.802 -6.217) 21.712 5.716 ( -0.000 3.870 1.590) 4.184 7.153 ( -0.000 28.067 5.528) 28.606 8.515 ( 0.000 -15.039 -3.761) 15.502 9.361 ( -0.000 2.052 0.254) 2.067 11.764 ( -0.000 -30.309 12.314) 32.715 14.527 ( 0.000 -0.627 -16.679) 16.691 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -2.818 26.162 6.402) 27.081 3.607 ( 7.461 26.588 6.336) 28.332 4.148 ( 12.102 14.899 -11.346) 22.297 4.814 ( 1.896 9.238 -1.826) 9.606 5.015 ( 2.358 10.162 -3.790) 11.099 5.768 ( 1.073 6.886 -2.516) 7.410 5.969 ( 10.206 13.656 -3.451) 17.394 7.428 ( -1.694 24.891 4.397) 25.333 8.373 ( -1.749 -7.077 -1.676) 7.480 9.427 ( 4.323 4.006 0.292) 5.901 11.476 ( -1.117 -33.209 11.496) 35.161 14.400 ( -7.215 -2.012 -13.907) 15.796 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 2.921 21.364 3.380) 21.826 3.994 ( 6.784 23.566 -0.185) 24.524 4.543 ( 15.852 16.288 -6.142) 23.544 4.859 ( 3.369 1.727 -10.393) 11.061 5.225 ( 4.762 12.628 7.998) 15.688 5.842 ( 1.331 5.159 -5.057) 7.346 6.308 ( 16.996 8.171 -1.483) 18.916 7.597 ( -3.062 14.952 3.282) 15.611 8.323 ( -3.075 5.609 -0.149) 6.398 9.594 ( 7.571 7.567 0.845) 10.737 11.140 ( -3.006 -32.096 8.798) 33.415 14.161 ( -11.551 -4.880 -10.329) 16.246 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 8.531 17.647 2.798) 19.800 4.307 ( 5.079 20.309 -5.418) 21.624 4.800 ( 4.205 1.889 -3.996) 6.101 5.059 ( 13.238 15.025 -6.616) 21.090 5.444 ( 5.462 7.774 8.683) 12.871 5.874 ( 0.777 1.064 -6.156) 6.295 6.693 ( 17.985 7.452 -0.883) 19.488 7.679 ( -0.235 7.215 4.426) 8.468 8.342 ( -5.467 11.066 -0.812) 12.369 9.787 ( 3.414 4.955 2.716) 6.602 10.850 ( 0.187 -18.971 4.052) 19.400 13.849 ( -12.635 -9.637 -6.611) 17.211 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( 9.196 13.598 2.840) 16.660 4.548 ( 4.907 15.525 -7.393) 17.882 4.854 ( 2.480 1.207 -2.371) 3.637 5.392 ( 8.369 14.353 -3.677) 17.017 5.621 ( 5.309 3.858 7.500) 9.966 5.860 ( 1.409 -2.738 -6.129) 6.859 7.036 ( 9.431 12.705 -1.510) 15.895 7.792 ( 5.119 3.387 6.817) 9.173 8.325 ( -5.479 5.507 -1.976) 8.016 9.711 ( -7.959 -12.790 3.829) 15.543 10.911 ( 8.505 13.071 0.055) 15.594 13.501 ( -10.223 -16.436 -3.592) 19.687 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( 1.156 11.203 0.259) 11.265 4.764 ( 9.205 7.325 -3.879) 12.387 4.899 ( 1.638 1.616 -1.351) 2.668 5.576 ( -0.772 9.237 -2.632) 9.636 5.745 ( 2.629 2.784 3.769) 5.373 5.861 ( 4.973 -2.706 -3.536) 6.675 7.248 ( -2.360 18.809 -1.002) 18.983 7.907 ( -2.098 5.034 3.510) 6.485 8.291 ( 5.804 -8.381 1.421) 10.293 9.419 ( -6.573 -15.988 1.853) 17.385 11.259 ( 1.344 31.951 -0.246) 31.981 13.173 ( -1.547 -24.546 -1.777) 24.659 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -6.668 7.972 -0.573) 10.408 4.924 ( 1.629 1.978 -4.123) 4.855 4.974 ( 9.247 0.054 1.922) 9.445 5.526 ( -8.740 0.592 -2.035) 8.994 5.790 ( -3.199 5.576 -0.001) 6.429 5.948 ( 6.488 -0.701 -0.956) 6.596 7.331 ( -11.323 21.392 0.911) 24.221 7.806 ( -9.743 -0.603 -2.621) 10.108 8.377 ( 12.260 -12.849 5.863) 18.702 9.257 ( 3.441 -9.722 0.286) 10.317 11.458 ( -18.694 32.668 0.017) 37.639 13.029 ( 16.314 -24.582 -0.941) 29.517 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( -12.735 3.303 0.262) 13.158 4.948 ( 0.891 0.547 -2.069) 2.318 5.102 ( 4.873 -1.970 -2.973) 6.039 5.308 ( -14.986 0.187 3.248) 15.335 5.732 ( -8.950 3.881 -1.065) 9.814 6.041 ( 5.089 -0.307 -2.234) 5.566 7.278 ( -17.300 16.853 0.383) 24.155 7.628 ( -4.841 -6.198 -0.119) 7.865 8.431 ( 4.478 -9.048 3.111) 10.564 9.347 ( 13.080 -3.029 0.492) 13.435 11.265 ( -28.019 14.892 -0.142) 31.731 13.238 ( 25.513 -10.013 -0.634) 27.415 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.210 ( -17.496 0.108 1.026) 17.527 4.837 ( -18.974 -2.430 -3.631) 19.471 5.010 ( -0.656 -0.352 -7.487) 7.524 5.220 ( -4.173 3.318 10.363) 11.654 5.558 ( -12.437 0.453 -1.867) 12.584 6.097 ( 1.971 0.653 -3.310) 3.907 7.095 ( -13.548 2.034 -1.043) 13.739 7.513 ( -6.040 -0.757 4.269) 7.436 8.383 ( -2.928 -2.475 -0.614) 3.883 9.584 ( 13.049 -0.118 1.464) 13.131 10.911 ( -17.955 0.326 -0.015) 17.958 13.622 ( 23.434 -0.256 -1.409) 23.477 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( -21.874 0.197 1.162) 21.905 4.376 ( -27.699 -1.924 -5.876) 28.381 4.982 ( -4.193 1.513 -2.711) 5.217 5.141 ( -11.660 1.082 5.207) 12.815 5.363 ( -7.902 1.348 -0.313) 8.022 6.083 ( -3.698 0.581 -2.810) 4.681 6.859 ( -10.387 -7.534 -0.854) 12.860 7.415 ( -9.975 6.133 3.989) 12.371 8.315 ( -3.244 2.285 -1.345) 4.190 9.697 ( -2.128 -0.521 1.389) 2.594 10.778 ( 8.628 -7.545 2.057) 11.645 13.998 ( 18.729 3.056 -3.737) 19.341 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -26.057 3.794 0.333) 26.334 3.828 ( -31.522 -0.724 -6.256) 32.145 4.802 ( -15.413 -0.212 -0.084) 15.415 4.969 ( -11.629 4.270 2.983) 12.742 5.310 ( -2.300 3.603 -0.772) 4.344 5.958 ( -8.153 -3.065 -0.966) 8.763 6.575 ( -15.855 -2.515 -3.175) 16.364 7.310 ( -13.287 10.222 2.881) 17.010 8.337 ( 4.191 1.362 0.006) 4.407 9.564 ( -8.754 -2.237 0.552) 9.052 11.023 ( 25.694 -10.911 6.047) 28.563 14.288 ( 13.112 2.811 -7.746) 15.486 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -0.000 13.023 7.487) 15.022 3.814 ( -0.000 31.012 -2.332) 31.099 4.174 ( 0.000 20.059 -8.415) 21.753 4.808 ( 0.000 0.075 -10.864) 10.864 5.149 ( -0.000 15.649 7.719) 17.449 5.792 ( -0.000 2.644 1.346) 2.967 6.005 ( 0.000 11.858 -6.887) 13.713 7.664 ( -0.000 14.622 1.692) 14.719 8.387 ( -0.000 8.626 1.221) 8.712 9.420 ( -0.000 3.584 0.087) 3.585 11.181 ( -0.000 -34.167 10.245) 35.670 14.398 ( 0.000 -3.282 -11.667) 12.120 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 1.035 11.128 2.117) 11.375 4.128 ( 3.769 25.097 -6.574) 26.216 4.471 ( 10.692 20.727 -4.040) 23.669 4.792 ( 1.770 0.738 -7.395) 7.640 5.330 ( 1.339 12.192 9.212) 15.339 5.848 ( 2.303 2.926 -1.226) 3.920 6.135 ( 8.109 4.774 -3.662) 10.097 7.733 ( -1.314 3.424 0.307) 3.680 8.532 ( -3.628 22.112 2.169) 22.513 9.525 ( 7.242 5.530 0.260) 9.116 10.863 ( -0.830 -33.356 8.080) 34.330 14.258 ( -7.653 -4.777 -8.947) 12.706 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( 6.642 10.887 1.486) 12.839 4.386 ( 4.484 17.388 -10.090) 20.598 4.775 ( 2.746 7.683 -0.807) 8.199 4.935 ( 13.828 13.081 -4.758) 19.621 5.488 ( 2.009 7.434 9.281) 12.060 5.881 ( -0.810 2.206 -4.192) 4.805 6.395 ( 19.078 1.840 0.014) 19.166 7.734 ( -0.589 0.910 0.958) 1.447 8.654 ( -9.237 21.945 0.590) 23.817 9.755 ( 8.393 6.845 1.611) 10.949 10.578 ( 3.678 -26.926 4.419) 27.533 13.990 ( -13.705 -6.646 -5.991) 16.367 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 10.141 9.382 1.831) 13.936 4.567 ( 4.663 9.287 -8.514) 13.435 4.866 ( 0.608 7.662 -0.650) 7.713 5.308 ( 14.037 11.537 -3.231) 18.455 5.609 ( 3.114 2.813 8.262) 9.266 5.847 ( -2.723 0.591 -4.438) 5.240 6.808 ( 23.709 4.683 0.405) 24.170 7.750 ( 1.772 -0.553 2.594) 3.190 8.638 ( -14.586 15.999 -1.264) 21.687 9.750 ( -8.635 -10.945 3.388) 14.347 10.687 ( 23.609 1.473 0.230) 23.656 13.619 ( -17.924 -9.487 -3.328) 20.551 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.518 ( 9.729 7.113 0.667) 12.071 4.689 ( 4.645 3.531 -2.943) 6.535 4.935 ( -0.921 6.499 -1.695) 6.779 5.602 ( 8.919 8.069 -2.281) 12.242 5.719 ( 5.104 0.728 6.093) 7.982 5.783 ( -2.602 -0.603 -3.806) 4.650 7.263 ( 18.508 10.580 -1.317) 21.359 7.807 ( 7.033 -5.051 5.123) 10.061 8.463 ( -18.802 8.228 -2.352) 20.658 9.428 ( -11.135 -14.180 1.712) 18.111 11.255 ( 27.460 17.440 -0.136) 32.531 13.161 ( -20.194 -14.499 -1.477) 24.904 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.693 ( 1.235 6.020 -1.048) 6.234 4.806 ( 8.567 -0.964 0.513) 8.636 4.948 ( -1.800 2.743 -0.911) 3.405 5.663 ( -6.085 1.764 0.110) 6.336 5.805 ( 6.584 -0.191 -5.090) 8.324 5.844 ( 4.357 2.660 4.338) 6.699 7.583 ( 3.007 14.393 -1.658) 14.797 7.946 ( 13.748 -7.376 4.929) 16.362 8.153 ( -18.264 -1.691 -1.999) 18.451 9.175 ( -4.383 -7.484 0.343) 8.680 11.902 ( 16.782 29.753 0.148) 34.160 12.640 ( -13.837 -26.103 -0.671) 29.551 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -8.068 0.907 1.279) 8.219 4.910 ( 3.793 -0.342 -5.006) 6.290 4.987 ( 4.956 0.389 1.984) 5.352 5.545 ( -9.712 1.766 3.410) 10.444 5.841 ( -1.142 -1.346 -3.486) 3.908 5.944 ( 4.671 1.216 0.362) 4.841 7.647 ( -3.991 -5.323 0.136) 6.655 7.747 ( -21.168 7.479 1.052) 22.475 8.200 ( 14.622 -4.143 -0.168) 15.198 9.155 ( 6.108 -0.013 0.194) 6.111 11.894 ( -33.124 -0.156 0.070) 33.124 12.677 ( 31.373 0.545 -0.352) 31.380 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( -13.008 -3.068 1.463) 13.445 4.951 ( 1.711 1.208 -1.853) 2.796 5.022 ( -2.853 -0.661 -6.917) 7.512 5.416 ( -9.331 4.059 10.041) 14.296 5.720 ( -8.171 -3.497 -2.282) 9.176 6.034 ( 4.695 0.988 -2.761) 5.536 7.276 ( -15.165 -15.721 -0.059) 21.843 7.676 ( -6.764 7.008 4.781) 10.850 8.364 ( 5.048 3.629 -3.578) 7.173 9.352 ( 13.266 2.964 0.984) 13.629 11.266 ( -27.870 -14.777 -0.046) 31.545 13.236 ( 24.941 10.352 -0.832) 27.016 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -15.710 -3.803 1.317) 16.217 4.776 ( -20.171 1.828 -7.857) 21.724 5.001 ( 1.273 2.268 -3.129) 4.069 5.342 ( -8.854 -0.354 6.872) 11.213 5.531 ( -8.669 0.703 1.752) 8.872 6.097 ( 1.878 0.635 -3.215) 3.777 6.890 ( -9.441 -17.351 1.320) 19.797 7.638 ( -6.536 5.623 4.029) 9.517 8.427 ( -2.940 8.083 -3.628) 9.334 9.618 ( 11.357 2.197 1.889) 11.721 10.709 ( -14.210 -19.039 0.350) 23.760 13.718 ( 19.317 9.970 -2.394) 21.870 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( -17.828 -1.718 0.691) 17.924 4.354 ( -28.829 5.748 -8.891) 30.712 5.005 ( -5.229 1.472 -0.575) 5.463 5.127 ( -9.690 -2.656 -1.298) 10.131 5.470 ( -6.607 6.850 6.101) 11.305 6.043 ( -5.953 -4.339 -0.728) 7.403 6.651 ( -2.425 -9.548 -1.394) 9.950 7.588 ( -7.428 6.457 2.634) 10.189 8.418 ( -6.268 8.643 -1.106) 10.734 9.682 ( -5.762 -2.124 1.212) 6.260 10.527 ( 15.055 -17.214 3.117) 23.080 14.080 ( 13.880 6.918 -5.027) 16.303 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( -0.000 5.459 -0.222) 5.463 4.305 ( 0.000 21.118 -14.309) 25.509 4.577 ( -0.000 20.293 -0.884) 20.312 4.789 ( -0.000 4.725 -0.449) 4.746 5.461 ( -0.000 9.676 9.486) 13.550 5.834 ( -0.000 0.796 0.954) 1.242 6.092 ( 0.000 1.343 -4.533) 4.728 7.751 ( 0.000 -0.342 -0.297) 0.453 8.833 ( -0.000 27.117 1.882) 27.182 9.497 ( -0.000 3.857 -0.025) 3.857 10.572 ( -0.000 -30.982 6.649) 31.688 14.251 ( 0.000 -5.169 -7.035) 8.730 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 5.231 5.091 -0.438) 7.312 4.437 ( 1.939 11.641 -13.402) 17.857 4.840 ( 6.818 16.381 -0.728) 17.758 4.872 ( 2.015 9.235 1.376) 9.552 5.569 ( -0.328 5.577 8.946) 10.547 5.886 ( 2.872 2.124 -0.511) 3.608 6.136 ( 8.805 -2.131 -1.625) 9.203 7.743 ( -0.301 -0.146 -0.027) 0.336 9.031 ( -7.003 22.722 0.053) 23.776 9.644 ( 11.166 5.945 0.393) 12.656 10.288 ( -0.725 -27.067 4.410) 27.433 14.109 ( -8.115 -5.159 -4.727) 10.715 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.150 ( 9.851 4.596 0.358) 10.877 4.539 ( 3.706 5.967 -6.796) 9.774 4.961 ( -0.830 9.867 -0.263) 9.905 5.165 ( 12.760 9.741 -1.718) 16.144 5.616 ( 0.359 -0.003 6.390) 6.400 5.908 ( -2.673 2.645 -1.044) 3.903 6.408 ( 23.304 -0.388 0.763) 23.319 7.739 ( -0.109 -0.224 0.472) 0.534 9.045 ( -13.113 15.702 -1.721) 20.530 9.799 ( -5.462 -6.495 2.635) 8.886 10.228 ( 23.594 -6.613 0.234) 24.504 13.842 ( -15.573 -4.693 -2.427) 16.445 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 11.554 2.645 0.260) 11.856 4.642 ( 4.032 3.215 -0.746) 5.210 5.020 ( -1.596 5.931 -1.005) 6.223 5.456 ( 12.724 4.874 -2.201) 13.802 5.646 ( 3.399 -2.538 3.092) 5.249 5.864 ( -4.516 1.845 0.938) 4.968 6.879 ( 28.699 1.809 0.154) 28.756 7.736 ( 0.275 -1.457 1.058) 1.821 8.882 ( -18.744 8.235 -2.550) 20.632 9.522 ( -12.408 -9.441 1.206) 15.638 10.780 ( 35.753 4.237 -0.095) 36.004 13.464 ( -22.535 -3.747 -0.645) 22.854 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.589 ( 11.307 -0.240 -0.807) 11.339 4.729 ( 2.594 1.386 2.729) 4.012 5.016 ( -2.711 1.453 0.016) 3.076 5.652 ( 7.751 -0.833 -5.921) 9.789 5.718 ( 5.180 -1.046 1.581) 5.516 5.820 ( -1.865 1.678 5.045) 5.634 7.396 ( 28.201 1.418 -1.238) 28.264 7.718 ( -0.231 -3.519 1.185) 3.721 8.556 ( -22.557 1.059 -1.952) 22.666 9.265 ( -10.439 -0.871 -0.078) 10.475 11.459 ( 38.013 0.052 -0.018) 38.013 12.996 ( -28.778 0.776 0.405) 28.791 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.719 ( 3.393 -7.579 0.134) 8.305 4.787 ( 4.354 3.663 0.635) 5.725 4.980 ( -1.115 -0.297 1.822) 2.157 5.687 ( -2.177 -0.009 0.275) 2.194 5.743 ( 3.538 -3.177 -3.436) 5.867 5.896 ( 4.265 0.229 3.891) 5.778 7.620 ( -1.259 -14.710 1.945) 14.892 7.844 ( 17.843 2.639 -5.243) 18.784 8.183 ( -18.120 3.881 1.125) 18.566 9.166 ( -3.830 6.516 -0.494) 7.574 11.899 ( 16.461 -29.411 -0.197) 33.705 12.656 ( -13.886 26.996 0.935) 30.372 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( -6.709 -9.306 0.755) 11.497 4.909 ( 4.318 3.014 -1.850) 5.581 5.003 ( 2.781 -0.369 1.688) 3.274 5.614 ( -6.868 -0.511 6.313) 9.343 5.739 ( 0.662 -3.695 -5.095) 6.328 5.961 ( 2.955 0.080 0.447) 2.990 7.323 ( -11.800 -20.681 -0.072) 23.811 7.848 ( -6.020 -1.773 1.407) 6.432 8.286 ( 9.611 11.656 -2.915) 15.386 9.252 ( 4.298 8.942 -0.131) 9.922 11.458 ( -18.686 -32.490 -0.003) 37.480 13.042 ( 15.510 25.354 0.384) 29.725 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( -9.974 -9.315 0.584) 13.660 4.973 ( -0.047 1.068 -0.268) 1.102 5.028 ( -2.701 4.945 -4.679) 7.324 5.475 ( -7.540 -5.972 3.611) 10.274 5.678 ( -5.215 2.588 3.022) 6.560 6.021 ( 4.626 -0.519 -2.773) 5.418 6.884 ( -12.442 -21.843 0.786) 25.150 7.768 ( -3.742 0.452 2.535) 4.543 8.512 ( 3.763 11.501 -3.382) 12.564 9.463 ( 9.710 7.014 0.746) 12.002 10.791 ( -20.474 -29.139 -0.079) 35.613 13.540 ( 15.972 17.782 -0.630) 23.910 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.078 ( -11.445 -6.760 0.287) 13.295 4.827 ( -18.422 7.053 -7.082) 20.959 5.050 ( -0.100 4.242 -1.894) 4.646 5.263 ( -9.735 -6.236 -0.212) 11.563 5.653 ( -4.623 5.505 6.730) 9.847 6.059 ( 0.025 -3.053 -0.730) 3.139 6.537 ( -2.456 -17.047 -0.247) 17.225 7.726 ( -3.523 1.694 2.054) 4.415 8.621 ( -3.522 11.619 -1.502) 12.234 9.682 ( 6.433 2.650 1.787) 7.184 10.250 ( -7.107 -24.469 0.139) 25.481 13.928 ( 12.379 11.218 -2.320) 16.867 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 2.942 -1.124) 3.149 4.474 ( 0.000 7.158 -9.377) 11.797 4.907 ( -0.000 11.916 0.417) 11.924 4.985 ( -0.000 10.699 0.721) 10.723 5.663 ( -0.000 4.574 8.771) 9.892 5.838 ( -0.000 -0.672 0.341) 0.753 6.042 ( 0.000 -3.037 -2.086) 3.685 7.746 ( 0.000 0.157 -0.159) 0.224 9.310 ( -0.000 18.396 -1.632) 18.469 9.563 ( -0.000 2.512 -0.008) 2.512 10.078 ( -0.000 -20.405 3.336) 20.676 14.124 ( 0.000 -3.676 -2.930) 4.701 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 6.635 1.831 -0.616) 6.910 4.531 ( 1.723 5.131 -2.105) 5.807 5.051 ( 2.788 5.457 0.544) 6.152 5.082 ( 3.554 7.699 -0.814) 8.519 5.647 ( -3.517 -1.913 3.636) 5.408 5.962 ( 3.162 4.890 2.446) 6.316 6.050 ( 12.202 -5.154 -0.925) 13.278 7.744 ( -0.325 0.097 -0.109) 0.356 9.358 ( -8.379 10.157 -3.252) 13.563 9.751 ( 14.928 3.860 0.330) 15.422 9.884 ( -2.069 -14.093 1.333) 14.307 14.018 ( -8.468 -1.547 -0.967) 8.663 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( 10.550 -0.212 -0.464) 10.563 4.619 ( 2.794 3.619 3.620) 5.832 5.084 ( -1.201 1.144 0.622) 1.772 5.273 ( 11.305 1.500 -0.277) 11.407 5.584 ( -0.091 -4.386 -0.721) 4.446 5.954 ( -3.324 0.741 2.573) 4.269 6.400 ( 25.791 -0.425 0.152) 25.795 7.735 ( -0.583 -0.325 -0.143) 0.682 9.210 ( -14.100 0.834 -3.877) 14.647 9.663 ( -9.960 -2.097 0.013) 10.179 10.208 ( 30.708 0.278 -0.015) 30.709 13.797 ( -16.542 1.182 0.632) 16.596 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.366 ( 11.401 -3.670 -0.933) 12.014 4.714 ( 2.703 2.148 6.378) 7.252 5.047 ( -1.480 -4.277 1.982) 4.941 5.474 ( 10.957 -1.533 -2.453) 11.332 5.568 ( 5.110 -4.975 -2.208) 7.466 5.911 ( -3.650 0.833 4.886) 6.156 6.872 ( 29.062 -2.228 -0.579) 29.153 7.717 ( -0.794 -0.495 -0.857) 1.269 8.878 ( -18.225 -6.879 -2.972) 19.706 9.493 ( -11.811 6.775 -1.559) 13.705 10.783 ( 35.677 -3.975 0.211) 35.898 13.487 ( -22.836 5.685 1.572) 23.586 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.493 ( 10.165 -8.337 -1.751) 13.263 4.789 ( 1.728 0.983 6.947) 7.226 4.976 ( -0.552 -6.584 2.727) 7.148 5.557 ( 6.229 -2.975 -9.474) 11.722 5.658 ( 7.560 -6.777 3.106) 10.617 5.895 ( -1.236 2.296 6.591) 7.088 7.283 ( 21.389 -10.142 0.584) 23.679 7.708 ( 1.958 1.366 -4.868) 5.422 8.483 ( -16.810 -6.193 -0.205) 17.916 9.389 ( -10.136 12.158 -2.118) 15.970 11.259 ( 27.311 -17.209 0.240) 32.282 13.196 ( -20.734 16.028 1.957) 26.279 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 3.049 -12.772 -1.866) 13.263 4.857 ( 4.718 -0.696 5.997) 7.662 4.941 ( 1.959 -4.025 2.667) 5.211 5.600 ( 4.594 -6.163 -7.107) 10.469 5.660 ( 1.869 -5.298 2.239) 6.048 5.953 ( 1.114 3.177 5.105) 6.115 7.268 ( -4.283 -19.398 0.817) 19.882 7.796 ( 6.140 -2.889 -7.054) 9.788 8.304 ( -0.514 5.644 2.361) 6.140 9.381 ( -5.189 14.190 -1.925) 15.232 11.263 ( 1.233 -31.618 0.210) 31.643 13.209 ( -2.464 25.730 1.827) 25.912 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( -3.771 -13.245 -0.677) 13.788 4.963 ( 2.821 -2.507 2.246) 4.392 4.987 ( 7.721 0.660 3.255) 8.405 5.491 ( -3.245 -10.685 0.166) 11.168 5.708 ( 4.471 -0.360 -3.091) 5.447 5.996 ( -1.274 3.248 2.318) 4.188 6.889 ( -12.972 -21.422 -0.321) 25.046 7.789 ( 0.313 -2.873 -1.620) 3.313 8.497 ( 8.971 9.079 -0.334) 12.768 9.472 ( 0.415 12.472 -1.183) 12.535 10.790 ( -14.932 -32.362 0.170) 35.642 13.531 ( 8.194 22.138 1.159) 23.634 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( -5.956 -10.316 -0.000) 11.912 4.982 ( -0.111 -0.193 0.000) 0.222 5.118 ( 2.537 4.394 -0.000) 5.073 5.316 ( -5.095 -8.825 -0.000) 10.190 5.754 ( 0.625 1.082 -0.000) 1.250 6.011 ( 0.812 1.407 0.000) 1.625 6.464 ( -10.986 -19.028 -0.000) 21.972 7.767 ( -0.444 -0.770 -0.000) 0.889 8.712 ( 4.947 8.569 0.000) 9.895 9.620 ( 4.556 7.892 -0.000) 9.112 10.210 ( -15.537 -26.911 -0.000) 31.074 13.872 ( 8.525 14.766 -0.000) 17.050 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 0.000 0.413 -0.566) 0.700 4.571 ( -0.000 4.920 4.151) 6.438 5.033 ( -0.000 0.020 0.646) 0.647 5.120 ( -0.000 1.358 0.811) 1.582 5.688 ( 0.000 -6.432 -0.591) 6.459 5.824 ( 0.000 -0.301 -0.516) 0.597 6.020 ( -0.000 2.223 2.941) 3.687 7.747 ( 0.000 -0.032 -0.283) 0.285 9.495 ( 0.000 0.867 -5.012) 5.087 9.590 ( -0.000 0.014 0.080) 0.081 9.848 ( 0.000 -2.229 0.284) 2.247 14.091 ( -0.000 1.416 0.714) 1.586 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 6.245 -1.537 -0.601) 6.459 4.646 ( 0.726 3.889 9.237) 10.049 5.055 ( 3.507 -5.784 1.042) 6.844 5.115 ( 3.558 -5.927 2.852) 7.478 5.555 ( -2.822 -5.887 -5.547) 8.566 5.941 ( 8.081 -3.786 -0.500) 8.938 6.094 ( 6.839 5.142 3.934) 9.418 7.741 ( -0.450 -0.263 -0.477) 0.707 9.344 ( -8.187 -9.452 -4.891) 13.427 9.732 ( 10.792 -3.526 -1.421) 11.442 9.863 ( 2.223 10.502 -0.587) 10.750 14.049 ( -8.621 4.256 2.107) 9.843 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( 9.165 -5.268 -1.226) 10.642 4.723 ( 1.376 0.918 11.471) 11.590 4.978 ( 0.201 -12.684 1.773) 12.809 5.218 ( 12.843 -7.784 3.613) 15.446 5.464 ( 0.454 -3.859 -8.680) 9.510 5.970 ( -0.548 -1.007 4.491) 4.635 6.403 ( 21.953 0.618 0.468) 21.966 7.724 ( -0.870 -0.391 -1.124) 1.474 9.020 ( -12.333 -15.310 -4.395) 20.145 9.737 ( -5.893 5.852 -3.382) 8.967 10.228 ( 24.603 4.776 0.278) 25.064 13.897 ( -16.067 7.163 2.928) 17.834 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.216 ( 9.714 -10.543 -1.931) 14.465 4.766 ( 2.371 -8.901 11.829) 14.993 4.883 ( 1.757 -7.076 1.054) 7.366 5.369 ( 10.691 -8.041 -0.001) 13.377 5.441 ( 5.841 -4.925 -5.952) 9.685 5.963 ( -1.545 0.553 6.899) 7.092 6.805 ( 24.319 -3.803 0.133) 24.615 7.691 ( -1.239 -1.417 -3.444) 3.925 8.629 ( -12.484 -14.802 -2.186) 19.487 9.676 ( -8.376 9.965 -3.829) 13.569 10.687 ( 24.278 -2.868 0.252) 24.448 13.686 ( -18.760 11.786 3.310) 22.400 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 9.036 -14.673 -2.534) 17.417 4.706 ( 4.853 -17.876 8.670) 20.452 4.910 ( 1.820 1.543 3.525) 4.256 5.412 ( 6.589 -7.079 -7.170) 12.039 5.507 ( 7.401 -8.393 1.105) 11.245 5.991 ( 0.753 2.506 6.936) 7.413 7.067 ( 10.179 -11.612 1.682) 15.533 7.643 ( 2.906 -4.054 -8.155) 9.559 8.361 ( -4.251 -5.528 1.630) 7.161 9.635 ( -7.270 11.840 -3.660) 14.368 10.911 ( 9.231 -14.380 0.003) 17.087 13.572 ( -11.439 18.563 3.476) 22.080 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( 3.965 -15.701 -2.043) 16.322 4.697 ( 12.127 -16.967 8.512) 22.525 4.974 ( 1.910 2.619 2.670) 4.199 5.381 ( 2.098 -12.562 -1.106) 12.784 5.563 ( 7.513 -3.292 -4.860) 9.534 6.058 ( 0.531 2.750 4.652) 5.430 6.895 ( -9.493 -17.063 0.112) 19.526 7.684 ( 6.616 -3.784 -5.379) 9.328 8.400 ( 8.292 2.227 1.891) 8.792 9.641 ( -4.238 11.093 -2.908) 12.226 10.712 ( -9.697 -21.226 -0.190) 23.337 13.691 ( -0.316 20.787 3.208) 21.035 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 0.000 -2.817 -0.818) 2.933 4.723 ( -0.000 3.473 15.050) 15.445 4.920 ( -0.000 -11.439 1.783) 11.577 4.994 ( -0.000 -16.400 2.537) 16.595 5.489 ( 0.000 -7.281 -9.154) 11.696 5.821 ( 0.000 0.279 -1.373) 1.401 6.125 ( -0.000 4.122 6.181) 7.429 7.741 ( 0.000 -0.145 -0.711) 0.725 9.265 ( 0.000 -18.475 -6.276) 19.512 9.564 ( 0.000 -2.523 0.110) 2.525 10.011 ( 0.000 17.716 -3.160) 17.996 14.187 ( -0.000 6.540 3.345) 7.346 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 4.576 -6.108 -1.887) 7.862 4.717 ( -0.868 -15.940 12.953) 20.558 4.838 ( 1.003 -10.818 -0.417) 10.873 4.928 ( 10.089 -8.353 8.157) 15.431 5.389 ( -0.134 -6.057 -9.215) 11.028 5.892 ( 7.130 -1.434 -0.231) 7.276 6.212 ( 4.588 3.077 6.362) 8.426 7.732 ( -0.717 0.075 -1.254) 1.446 8.973 ( -6.129 -22.723 -5.962) 24.279 9.633 ( 9.648 -5.412 -0.712) 11.085 10.207 ( 0.897 23.983 -3.545) 24.260 14.198 ( -8.481 8.107 4.111) 12.432 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 6.416 -12.394 -2.837) 14.241 4.542 ( 4.215 -25.730 4.842) 26.519 4.828 ( 4.098 -4.369 4.941) 7.765 5.073 ( 11.159 -7.579 9.118) 16.282 5.307 ( 1.882 -6.709 -8.948) 11.341 5.973 ( 2.784 -2.046 4.605) 5.758 6.423 ( 16.247 -0.478 3.459) 16.618 7.696 ( -2.332 -2.037 -3.050) 4.346 8.610 ( -7.309 -20.695 -3.909) 22.293 9.717 ( 5.990 -5.122 -2.132) 8.164 10.506 ( 6.630 22.451 -2.752) 23.570 14.096 ( -14.453 9.775 4.571) 18.037 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( 8.700 -18.302 -2.810) 20.459 4.404 ( 7.233 -25.173 4.283) 26.540 4.889 ( 4.228 -2.085 4.981) 6.858 5.171 ( 8.374 -11.497 1.477) 14.300 5.300 ( 6.950 -5.534 -3.090) 9.406 6.001 ( 1.580 -1.758 6.409) 6.831 6.728 ( 18.515 -5.425 3.121) 19.544 7.567 ( -3.601 -9.211 -7.029) 12.133 8.349 ( -3.319 -9.442 -0.103) 10.009 9.732 ( 1.746 -2.852 -2.773) 4.344 10.784 ( 2.863 13.936 -2.517) 14.448 13.967 ( -13.797 12.981 5.078) 19.612 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( 10.908 -19.124 -2.261) 22.132 4.315 ( 10.191 -24.800 6.686) 27.633 4.955 ( 3.756 -1.285 3.008) 4.981 5.174 ( 6.074 -12.750 -0.924) 14.153 5.370 ( 7.844 -4.854 -2.369) 9.524 6.047 ( 3.000 -1.739 4.688) 5.831 6.838 ( 1.086 -13.168 3.118) 13.575 7.471 ( 8.230 -6.847 -7.153) 12.875 8.303 ( 3.014 -1.115 1.275) 3.457 9.715 ( 0.718 -2.880 -2.330) 3.774 10.802 ( -11.440 5.547 -2.964) 13.054 13.953 ( -6.346 16.377 5.469) 18.396 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 0.000 -8.459 -3.807) 9.276 4.487 ( 0.000 -31.725 2.533) 31.826 4.642 ( -0.000 -17.238 5.273) 18.026 4.919 ( -0.000 4.224 13.810) 14.442 5.286 ( 0.000 -8.905 -8.134) 12.061 5.806 ( 0.000 -0.893 -1.872) 2.074 6.228 ( -0.000 -0.049 9.376) 9.376 7.738 ( 0.000 0.184 -1.772) 1.781 8.753 ( 0.000 -26.162 -6.195) 26.885 9.498 ( 0.000 -3.944 0.025) 3.944 10.454 ( 0.000 28.054 -5.060) 28.507 14.371 ( -0.000 8.570 4.883) 9.864 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( 2.198 -14.813 -5.549) 15.970 4.185 ( 3.598 -32.378 -0.558) 32.582 4.581 ( 9.459 -15.806 6.797) 19.634 5.003 ( 1.100 -0.539 12.259) 12.320 5.174 ( 1.163 -8.674 -5.895) 10.552 5.855 ( 6.808 -2.439 -0.536) 7.252 6.262 ( 4.017 -4.582 9.511) 11.296 7.695 ( -2.224 -5.665 -3.877) 7.215 8.473 ( -2.495 -18.508 -3.579) 19.016 9.519 ( 6.563 -5.399 -0.355) 8.506 10.730 ( 0.040 30.123 -5.259) 30.578 14.401 ( -8.027 8.696 5.390) 13.004 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 4.803 -22.913 -4.799) 23.898 3.991 ( 9.399 -29.226 -0.956) 30.715 4.663 ( 12.859 -12.952 6.016) 19.217 4.972 ( 3.335 -12.944 -1.582) 13.460 5.179 ( 2.784 0.241 5.523) 6.190 5.929 ( 4.625 -5.016 3.332) 7.594 6.381 ( 14.594 -8.457 6.509) 18.079 7.494 ( -4.545 -17.407 -7.246) 19.395 8.328 ( -2.180 -1.854 0.342) 2.882 9.576 ( 6.624 -6.969 -0.928) 9.659 11.002 ( -1.736 28.189 -5.124) 28.703 14.325 ( -12.201 9.420 6.103) 16.578 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 11.610 -24.740 -2.706) 27.462 3.884 ( 10.860 -28.526 1.922) 30.584 4.765 ( 10.815 -11.923 3.292) 16.430 4.928 ( 8.133 -12.689 -4.621) 15.764 5.247 ( 2.610 -0.188 5.450) 6.045 5.958 ( 4.268 -5.747 3.802) 8.105 6.568 ( 14.761 -15.343 5.611) 22.018 7.251 ( 2.331 -14.610 -7.925) 16.783 8.318 ( -2.473 5.331 1.112) 5.981 9.593 ( 4.325 -7.913 -1.037) 9.077 11.141 ( -10.802 22.236 -5.633) 25.355 14.254 ( -9.425 11.571 7.235) 16.585 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 0.000 -19.452 -8.821) 21.358 3.793 ( 0.000 -36.150 -4.049) 36.376 4.364 ( -0.000 -14.358 10.069) 17.537 4.929 ( 0.000 -17.090 -1.457) 17.152 5.140 ( -0.000 2.995 8.868) 9.360 5.759 ( 0.000 -2.575 -1.986) 3.252 6.182 ( -0.000 -12.402 11.313) 16.787 7.584 ( 0.000 -18.599 -6.488) 19.698 8.373 ( 0.000 -2.271 -0.098) 2.273 9.418 ( 0.000 -3.704 -0.087) 3.706 11.022 ( 0.000 31.288 -5.699) 31.803 14.573 ( -0.000 7.916 5.799) 9.812 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 0.243 -27.776 -8.351) 29.005 3.504 ( 9.200 -33.016 -5.486) 34.710 4.353 ( 9.208 -12.068 9.522) 17.919 4.730 ( 2.553 -22.573 -4.505) 23.159 5.213 ( 0.094 3.854 10.197) 10.901 5.784 ( 5.939 -4.300 -0.509) 7.350 6.100 ( 5.820 -18.330 9.615) 21.501 7.307 ( -1.964 -25.879 -7.769) 27.091 8.415 ( -1.909 10.777 2.460) 11.218 9.421 ( 4.001 -4.028 -0.268) 5.684 11.309 ( -1.033 30.499 -5.362) 30.984 14.601 ( -7.277 7.343 6.292) 12.102 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 7.830 -30.503 -5.556) 31.979 3.374 ( 13.159 -31.416 -2.819) 34.177 4.452 ( 11.689 -11.607 5.984) 17.526 4.584 ( 9.389 -22.198 -5.656) 24.757 5.274 ( -0.400 2.673 8.487) 8.907 5.818 ( 4.833 -8.083 2.828) 9.833 6.122 ( 15.631 -21.029 4.978) 26.671 7.021 ( 1.174 -20.993 -7.201) 22.225 8.494 ( -5.132 14.212 2.552) 15.324 9.448 ( 3.974 -5.081 -0.481) 6.468 11.527 ( -6.476 27.183 -5.713) 28.522 14.542 ( -9.508 7.717 7.651) 14.439 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 -29.288 -10.595) 31.146 3.014 ( 0.000 -37.525 -8.137) 38.397 4.198 ( -0.000 -9.489 10.690) 14.294 4.420 ( 0.000 -30.911 -4.284) 31.206 5.289 ( -0.000 4.105 9.890) 10.708 5.682 ( 0.000 -3.768 -1.818) 4.183 5.859 ( -0.000 -25.906 9.250) 27.508 7.026 ( 0.000 -27.225 -6.958) 28.100 8.592 ( -0.000 17.584 3.855) 18.002 9.358 ( 0.000 -2.145 -0.094) 2.147 11.602 ( 0.000 29.329 -4.035) 29.605 14.752 ( -0.000 6.162 5.960) 8.573 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.424 -34.783 -9.209) 36.009 2.799 ( 13.129 -33.674 -7.263) 36.865 4.127 ( 7.535 -34.522 -4.342) 35.601 4.210 ( 7.162 -8.941 8.336) 14.167 5.345 ( -1.096 2.708 8.750) 9.225 5.639 ( 3.788 -21.108 5.161) 22.057 5.716 ( 8.497 -11.574 -0.547) 14.368 6.755 ( 1.280 -23.107 -5.413) 23.767 8.759 ( -4.045 18.990 3.770) 19.779 9.360 ( 2.039 -1.892 -0.176) 2.787 11.858 ( -2.279 26.807 -2.995) 27.069 14.770 ( -6.208 5.425 6.305) 10.379 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 -37.363 -10.599) 38.837 2.255 ( 0.000 -34.202 -10.300) 35.720 3.632 ( 0.000 -45.939 -2.382) 46.001 4.100 ( -0.000 -6.703 8.416) 10.760 5.325 ( -0.000 -28.551 8.890) 29.903 5.421 ( -0.000 2.681 1.438) 3.042 5.591 ( 0.000 -4.097 -1.417) 4.335 6.500 ( 0.000 -21.870 -3.219) 22.106 9.006 ( -0.000 19.818 3.808) 20.180 9.334 ( 0.000 -0.255 0.033) 0.257 12.128 ( -0.000 23.993 1.189) 24.022 14.891 ( -0.000 4.332 4.070) 5.944 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -0.000 0.000 34.442) 34.442 0.672 ( -0.000 0.000 34.442) 34.442 1.193 ( -0.000 0.000 61.639) 61.639 3.861 ( 0.000 -0.000 -8.313) 8.313 3.861 ( 0.000 -0.000 -8.313) 8.313 5.449 ( -0.000 0.000 1.806) 1.806 5.449 ( -0.000 0.000 1.806) 1.806 7.021 ( 0.000 -0.000 -20.178) 20.178 9.379 ( -0.000 0.000 0.624) 0.624 9.379 ( -0.000 0.000 0.624) 0.624 9.806 ( -0.000 0.000 6.687) 6.687 15.293 ( -0.000 0.000 0.199) 0.199 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 19.438 11.222 23.161) 32.252 1.118 ( 15.017 8.670 33.133) 37.396 1.888 ( 40.345 23.293 38.164) 60.223 3.897 ( 3.941 2.276 -7.954) 9.164 4.112 ( 17.253 9.961 -20.246) 28.404 5.470 ( 1.434 0.828 1.831) 2.468 5.474 ( 0.300 0.173 1.032) 1.089 6.249 ( -14.804 -8.547 10.456) 20.038 9.375 ( -0.665 -0.384 0.780) 1.094 9.535 ( -6.136 -3.543 -8.927) 11.397 11.564 ( 77.228 44.587 -56.288) 105.454 14.989 ( -20.052 -11.577 1.076) 23.179 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 26.015 15.020 13.713) 33.021 1.586 ( 18.415 10.632 22.606) 31.035 2.998 ( 44.263 25.555 23.568) 56.283 3.992 ( 6.418 3.706 -7.313) 10.412 4.474 ( 20.353 11.751 -20.487) 31.178 5.452 ( -0.941 -0.543 -3.023) 3.213 5.522 ( 2.501 1.444 1.664) 3.333 6.292 ( 10.635 6.140 6.197) 13.755 9.290 ( -12.183 -7.034 -7.235) 15.819 9.359 ( -0.862 -0.498 0.745) 1.244 12.478 ( 18.251 10.537 -12.413) 24.459 14.553 ( -13.601 -7.853 -16.289) 22.627 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 23.148 13.365 10.046) 28.555 2.221 ( 26.373 15.226 8.721) 31.677 3.992 ( 34.763 20.070 17.364) 43.736 4.145 ( 8.700 5.023 -6.400) 11.912 4.909 ( 21.309 12.303 -20.943) 32.312 5.478 ( 6.448 3.723 -4.275) 8.586 5.591 ( 2.953 1.705 1.488) 3.721 6.641 ( 16.460 9.503 6.281) 20.018 8.953 ( -14.596 -8.427 -5.539) 17.741 9.348 ( -0.074 -0.043 0.539) 0.546 12.482 ( -15.942 -9.204 15.808) 24.264 14.315 ( -0.960 -0.554 -28.294) 28.315 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 26.971 15.572 0.976) 31.159 2.821 ( 23.200 13.395 5.333) 27.315 4.350 ( 10.609 6.125 -5.276) 13.338 4.674 ( 20.222 11.675 10.014) 25.408 5.199 ( 9.534 5.504 -11.549) 15.955 5.664 ( 2.790 1.611 1.503) 3.554 5.827 ( 23.280 13.440 -9.199) 28.411 7.054 ( 17.124 9.886 6.267) 20.742 8.618 ( -12.295 -7.098 -3.073) 14.525 9.365 ( 1.485 0.857 0.281) 1.737 11.971 ( -30.440 -17.575 16.826) 38.969 14.266 ( 2.159 1.246 -21.612) 21.756 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 17.583 10.152 2.796) 20.495 3.361 ( 29.211 16.865 -4.501) 34.029 4.593 ( 11.513 6.647 -4.060) 13.900 4.980 ( 6.200 3.579 -0.867) 7.211 5.430 ( 12.570 7.257 1.194) 14.564 5.725 ( 2.028 1.171 1.695) 2.891 6.278 ( 15.627 9.022 -11.503) 21.399 7.439 ( 13.436 7.757 4.893) 16.268 8.431 ( -1.812 -1.046 0.831) 2.251 9.418 ( 3.043 1.757 0.088) 3.515 11.267 ( -33.156 -19.143 11.306) 39.920 14.241 ( 0.150 0.086 -12.612) 12.613 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( 11.363 6.561 1.223) 13.178 4.018 ( 28.879 16.674 -7.700) 34.225 4.839 ( 10.291 5.942 -2.893) 12.231 5.055 ( 2.264 1.307 -2.941) 3.935 5.724 ( 11.129 6.425 4.078) 13.482 5.764 ( 0.809 0.467 1.810) 2.036 6.420 ( -0.038 -0.022 -10.361) 10.361 7.659 ( 5.083 2.935 1.998) 6.201 8.572 ( 11.429 6.599 5.276) 14.213 9.498 ( 3.559 2.055 -0.027) 4.109 10.565 ( -29.010 -16.749 6.589) 34.140 14.194 ( -1.275 -0.736 -6.683) 6.843 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( 5.752 3.321 0.685) 6.677 4.606 ( 23.042 13.303 -9.090) 28.117 5.029 ( 6.415 3.704 -1.844) 7.634 5.100 ( 3.007 1.736 -2.093) 4.055 5.774 ( -0.338 -0.195 1.578) 1.626 5.954 ( 7.901 4.561 2.904) 9.574 6.249 ( -11.304 -6.527 -7.196) 14.905 7.734 ( 1.747 1.008 0.017) 2.017 8.863 ( 9.672 5.584 7.825) 13.637 9.569 ( 2.410 1.392 -0.112) 2.786 10.026 ( -17.929 -10.351 3.422) 20.984 14.153 ( -0.570 -0.329 -3.324) 3.389 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 0.611 0.353 1.022) 1.242 4.930 ( 6.142 3.546 -4.672) 8.493 5.104 ( 0.150 0.087 -1.326) 1.337 5.214 ( 6.132 3.541 -1.733) 7.290 5.766 ( -0.548 -0.316 1.129) 1.294 5.868 ( -16.200 -9.353 -9.607) 21.028 6.155 ( 7.686 4.437 2.226) 9.150 7.746 ( -0.549 -0.317 -0.822) 1.038 9.002 ( -0.623 -0.360 9.224) 9.252 9.598 ( 0.021 0.012 -0.153) 0.155 9.803 ( -1.592 -0.919 1.446) 2.339 14.162 ( 2.160 1.247 -1.205) 2.770 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( -4.736 -2.734 2.144) 5.874 4.888 ( -12.364 -7.139 3.592) 14.722 5.021 ( -6.639 -3.833 -2.268) 7.994 5.201 ( -6.329 -3.654 4.720) 8.700 5.543 ( -5.869 -3.388 -17.465) 18.734 5.761 ( -0.277 -0.160 1.065) 1.112 6.366 ( 9.864 5.695 -3.302) 11.859 7.710 ( -2.233 -1.289 -0.099) 2.581 8.884 ( -11.903 -6.872 9.005) 16.432 9.570 ( -2.359 -1.362 -0.102) 2.725 9.954 ( 13.743 7.935 -0.095) 15.869 14.250 ( 5.512 3.182 0.710) 6.404 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -11.213 -6.474 4.002) 13.552 4.372 ( -29.668 -17.129 8.244) 35.236 4.803 ( -10.668 -6.159 -4.628) 13.159 5.127 ( -3.549 -2.049 2.404) 4.751 5.379 ( -4.815 -2.780 -13.865) 14.938 5.753 ( -0.913 -0.527 1.362) 1.722 6.518 ( 3.006 1.736 -7.835) 8.569 7.650 ( -3.871 -2.235 3.157) 5.472 8.560 ( -15.692 -9.060 5.234) 18.860 9.498 ( -3.562 -2.057 -0.001) 4.113 10.393 ( 23.381 13.499 -1.007) 27.017 14.411 ( 7.674 4.431 2.372) 9.174 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -19.085 -11.019 6.096) 22.865 3.670 ( -32.740 -18.902 8.393) 38.725 4.532 ( -10.593 -6.116 -7.009) 14.097 4.906 ( -16.313 -9.418 -0.668) 18.849 5.310 ( 1.717 0.992 -6.978) 7.254 5.723 ( -2.134 -1.232 1.548) 2.910 6.395 ( -11.733 -6.774 -8.926) 16.225 7.441 ( -17.764 -10.256 7.117) 21.711 8.383 ( 2.976 1.718 -1.098) 3.607 9.417 ( -3.233 -1.867 0.036) 3.734 10.978 ( 26.816 15.482 -1.317) 30.993 14.603 ( 7.877 4.548 2.846) 9.530 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -25.970 -14.994 7.912) 31.014 2.933 ( -33.265 -19.206 8.717) 39.388 4.288 ( -8.249 -4.763 -8.157) 12.540 4.401 ( -27.278 -15.749 -0.379) 31.501 5.357 ( 3.268 1.887 -4.473) 5.852 5.666 ( -3.171 -1.831 1.515) 3.963 5.941 ( -24.013 -13.864 -7.281) 28.668 6.966 ( -22.293 -12.871 5.050) 26.232 8.625 ( 15.704 9.067 -2.889) 18.362 9.357 ( -1.838 -1.061 -0.015) 2.123 11.587 ( 25.641 14.804 -0.911) 29.622 14.777 ( 6.368 3.677 0.990) 7.420 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.000 27.357 25.487) 37.389 1.240 ( -0.000 25.682 26.924) 37.209 1.928 ( -0.000 34.197 44.282) 55.949 3.788 ( 0.000 0.788 -11.731) 11.758 4.120 ( 0.000 22.334 -17.492) 28.369 5.483 ( -0.000 2.024 2.042) 2.875 5.488 ( -0.000 1.191 1.188) 1.682 6.234 ( -0.000 -21.034 5.328) 21.698 9.370 ( -0.000 -1.105 0.625) 1.269 9.500 ( 0.000 -7.086 -9.571) 11.909 11.367 ( 0.000 84.827 -44.699) 95.884 15.037 ( 0.000 -18.563 -0.226) 18.564 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 5.859 31.908 18.317) 37.255 1.625 ( 5.788 20.467 27.727) 34.946 2.728 ( 29.792 37.134 28.026) 55.244 3.847 ( 8.353 1.385 -11.606) 14.367 4.347 ( 7.008 21.956 -18.996) 29.866 5.452 ( -2.058 -2.699 -2.310) 4.106 5.532 ( 1.278 3.778 1.849) 4.396 6.205 ( 6.756 4.071 3.755) 8.736 9.325 ( -5.483 -10.955 -7.638) 14.437 9.365 ( -0.232 -1.541 0.106) 1.562 12.174 ( 24.822 30.836 -22.844) 45.704 14.700 ( -15.273 -12.390 -9.200) 21.712 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 10.521 20.434 19.384) 30.066 2.148 ( 13.576 30.600 11.481) 35.390 3.700 ( 32.412 29.031 19.634) 47.737 4.006 ( 10.488 4.252 -9.744) 14.934 4.676 ( 13.956 19.369 -21.448) 32.093 5.414 ( 2.125 0.438 -4.701) 5.177 5.611 ( 1.350 6.187 1.653) 6.545 6.491 ( 13.744 10.729 5.001) 18.139 9.040 ( -9.860 -13.037 -6.679) 17.658 9.357 ( -0.193 0.209 0.616) 0.678 12.537 ( 4.152 -5.703 7.985) 10.655 14.327 ( -10.999 -0.934 -24.402) 26.783 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 16.786 20.910 8.594) 28.158 2.722 ( 14.887 27.418 7.535) 32.096 4.224 ( 10.827 8.044 -8.030) 15.697 4.477 ( 22.816 17.275 14.049) 31.881 5.004 ( 13.008 8.072 -18.882) 24.309 5.582 ( 13.604 9.736 -6.472) 17.937 5.720 ( 2.147 11.744 1.490) 12.031 6.879 ( 16.169 10.447 5.903) 20.135 8.711 ( -10.558 -11.886 -4.723) 16.584 9.372 ( 0.344 2.495 0.456) 2.560 12.282 ( -19.764 -21.504 18.377) 34.507 14.177 ( -0.045 3.220 -25.405) 25.609 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 21.576 20.329 1.998) 29.711 3.234 ( 12.755 23.128 3.400) 26.630 4.483 ( 10.422 11.166 -6.236) 16.498 4.890 ( 8.897 5.462 0.687) 10.462 5.237 ( 14.404 4.288 -2.703) 15.270 5.771 ( 1.852 7.203 -0.601) 7.462 6.080 ( 15.849 17.645 -8.617) 25.235 7.277 ( 15.927 8.342 5.928) 18.932 8.454 ( -5.260 -7.112 -1.775) 9.022 9.426 ( 1.140 5.455 0.336) 5.583 11.657 ( -30.147 -22.845 13.508) 40.164 14.156 ( 2.586 -1.001 -15.790) 16.032 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 10.262 15.538 3.653) 18.976 3.726 ( 22.636 21.492 -5.289) 31.659 4.755 ( 8.939 12.202 -4.476) 15.775 4.997 ( 3.797 0.133 -4.366) 5.788 5.535 ( 13.284 2.878 3.729) 14.094 5.862 ( -0.297 9.225 0.350) 9.236 6.368 ( 4.858 7.746 -10.142) 13.655 7.585 ( 9.037 4.452 3.739) 10.745 8.443 ( 8.430 0.709 2.935) 8.955 9.519 ( 1.246 8.493 0.373) 8.592 10.935 ( -31.205 -19.647 7.976) 37.728 14.127 ( 2.130 -5.154 -8.369) 10.057 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 3.691 11.614 1.700) 12.305 4.319 ( 23.775 17.796 -7.736) 30.689 4.989 ( 5.755 10.571 -2.778) 12.352 5.041 ( 3.514 -0.633 -3.149) 4.760 5.730 ( 5.880 -0.124 2.278) 6.307 5.965 ( 1.653 9.261 1.145) 9.477 6.348 ( -7.575 0.703 -8.073) 11.093 7.713 ( 2.596 1.929 0.809) 3.334 8.707 ( 14.786 2.241 7.128) 16.567 9.631 ( -0.075 10.853 0.631) 10.872 10.287 ( -25.161 -13.661 4.023) 28.911 14.083 ( 2.596 -7.171 -4.266) 8.739 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -0.849 7.990 1.081) 8.107 4.790 ( 14.849 10.088 -8.201) 19.736 5.110 ( 6.530 0.699 -1.567) 6.752 5.131 ( 0.640 7.318 -1.779) 7.558 5.755 ( -1.492 -2.878 -1.267) 3.481 6.088 ( -0.503 -2.587 0.366) 2.660 6.131 ( -10.957 10.194 -3.725) 15.423 7.746 ( 0.170 0.406 -0.634) 0.772 8.946 ( 8.321 -2.755 9.440) 12.882 9.730 ( -1.724 11.662 1.001) 11.831 9.861 ( -13.410 -5.210 1.344) 14.449 14.064 ( 5.029 -6.969 -2.155) 8.860 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( -5.351 4.433 1.438) 7.096 4.946 ( 0.920 0.623 -2.789) 3.003 5.128 ( -6.728 2.777 -1.736) 7.482 5.235 ( 2.922 -1.296 1.933) 3.735 5.558 ( -10.139 -9.181 -10.335) 17.144 5.913 ( -9.751 8.617 -0.132) 13.013 6.269 ( 6.334 7.474 -2.272) 10.057 7.728 ( -1.479 -1.118 -0.540) 1.931 8.968 ( -3.108 -8.779 10.376) 13.942 9.701 ( -6.556 2.839 0.213) 7.147 9.848 ( 4.355 11.008 0.428) 11.846 14.116 ( 8.725 -5.154 -0.671) 10.156 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( -10.505 0.299 2.677) 10.845 4.726 ( -23.720 -11.381 5.937) 26.970 4.957 ( -10.856 -0.492 -4.101) 11.615 5.169 ( -3.379 -1.397 3.451) 5.028 5.362 ( -3.159 -3.504 -14.409) 15.161 5.873 ( -6.633 8.820 0.312) 11.040 6.439 ( 6.004 5.201 -7.122) 10.669 7.680 ( -1.948 -2.285 1.556) 3.382 8.737 ( -13.468 -12.628 8.315) 20.248 9.617 ( -7.911 4.030 0.285) 8.883 10.160 ( 17.329 13.464 -0.234) 21.946 14.255 ( 11.686 -3.031 0.595) 12.087 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( -17.312 -5.306 4.720) 18.712 4.113 ( -32.433 -12.511 6.559) 35.376 4.709 ( -15.025 0.136 -5.940) 16.157 5.063 ( -10.608 -6.171 1.819) 12.406 5.258 ( 1.005 -0.084 -9.738) 9.791 5.839 ( -6.749 6.790 0.783) 9.605 6.465 ( -4.377 -0.239 -10.104) 11.014 7.592 ( -7.498 -7.486 6.091) 12.221 8.412 ( -8.938 -7.115 2.389) 11.671 9.513 ( -7.537 2.510 0.235) 7.948 10.677 ( 24.770 14.928 0.122) 28.921 14.447 ( 12.445 -1.724 0.850) 12.592 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -25.589 -12.906 6.971) 29.495 3.446 ( -34.575 -7.821 6.525) 36.044 4.436 ( -13.980 1.004 -7.721) 16.002 4.702 ( -21.450 -9.882 1.237) 23.650 5.293 ( 3.593 1.490 -6.405) 7.494 5.777 ( -7.078 4.226 0.863) 8.289 6.194 ( -19.515 -5.843 -9.351) 22.414 7.232 ( -20.878 -14.355 7.470) 26.415 8.438 ( 11.509 4.118 -2.266) 12.431 9.419 ( -5.390 1.333 0.179) 5.555 11.276 ( 26.668 13.948 1.316) 30.124 14.637 ( 10.946 -1.588 -1.104) 11.116 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.000 26.920 22.080) 34.817 1.956 ( -0.000 29.785 21.143) 36.526 2.971 ( -0.000 44.755 26.039) 51.779 3.747 ( 0.000 3.382 -13.928) 14.333 4.469 ( 0.000 23.988 -19.181) 30.714 5.430 ( 0.000 -4.864 -3.541) 6.016 5.551 ( -0.000 3.439 1.886) 3.922 6.231 ( -0.000 13.200 2.749) 13.483 9.218 ( 0.000 -14.710 -8.041) 16.764 9.350 ( -0.000 -1.095 0.596) 1.246 12.206 ( 0.000 23.459 -11.560) 26.153 14.678 ( 0.000 -11.470 -13.498) 17.713 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 1.274 25.556 19.746) 32.321 2.367 ( 5.222 32.718 15.622) 36.630 3.647 ( 17.471 37.547 18.489) 45.353 3.831 ( 9.509 5.429 -12.295) 16.464 4.671 ( 3.924 21.481 -21.773) 30.836 5.378 ( 0.553 0.126 -4.489) 4.524 5.633 ( 3.594 5.082 1.753) 6.467 6.464 ( 6.295 17.839 4.006) 19.337 8.995 ( -4.607 -16.310 -6.845) 18.278 9.352 ( 0.899 -0.183 0.555) 1.073 12.392 ( 6.827 -3.721 6.092) 9.878 14.442 ( -10.178 -2.596 -21.599) 24.017 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 5.552 25.352 12.544) 28.825 2.862 ( 8.542 32.185 10.828) 35.015 4.056 ( 14.122 8.363 -11.651) 20.128 4.360 ( 18.772 24.249 15.823) 34.508 4.860 ( 6.519 11.099 -22.388) 25.825 5.482 ( 7.389 10.314 -5.257) 13.734 5.790 ( 5.317 10.974 1.828) 12.330 6.793 ( 9.596 16.341 5.099) 19.624 8.711 ( -6.960 -15.237 -5.219) 17.545 9.385 ( 1.570 2.379 0.517) 2.897 12.315 ( -4.809 -23.960 16.692) 29.595 14.210 ( -7.992 4.244 -24.518) 26.135 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 11.861 24.666 5.603) 27.937 3.339 ( 7.812 28.238 6.471) 30.005 4.378 ( 13.898 12.942 -8.646) 20.867 4.807 ( 8.112 7.741 0.888) 11.248 5.040 ( 12.815 8.017 -5.429) 16.061 5.717 ( 8.610 7.590 -6.291) 13.089 6.083 ( 8.894 21.582 -1.136) 23.370 7.140 ( 11.801 12.196 5.755) 17.920 8.449 ( -5.439 -10.887 -3.188) 12.580 9.462 ( 2.258 6.286 0.575) 6.704 11.883 ( -18.893 -28.124 14.549) 36.873 14.087 ( -2.318 0.812 -17.727) 17.896 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 16.328 22.382 2.533) 27.821 3.726 ( 6.013 23.485 1.154) 24.270 4.718 ( 10.727 15.810 -5.736) 19.948 4.908 ( 4.160 0.343 -7.474) 8.561 5.366 ( 12.957 6.904 5.174) 15.566 5.878 ( 5.591 4.359 -4.785) 8.554 6.410 ( 3.652 19.022 -4.996) 20.004 7.469 ( 11.728 7.675 5.603) 15.095 8.332 ( 2.599 -4.152 -0.316) 4.909 9.590 ( 2.422 10.199 0.946) 10.525 11.259 ( -26.165 -23.188 8.669) 36.020 14.004 ( 0.614 -6.288 -9.835) 11.690 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( 3.930 16.590 4.061) 17.526 4.124 ( 17.535 21.399 -5.968) 28.302 4.946 ( 4.438 -1.320 -3.885) 6.044 5.015 ( 5.823 15.696 -4.904) 17.445 5.623 ( 8.701 3.346 4.010) 10.148 5.976 ( 3.912 1.778 -3.974) 5.853 6.528 ( -6.652 14.387 -4.777) 16.555 7.687 ( 4.541 4.231 2.624) 6.739 8.472 ( 14.221 -0.816 4.258) 14.867 9.735 ( 1.115 9.711 1.985) 9.974 10.633 ( -26.255 -11.446 3.503) 28.855 13.918 ( 2.746 -11.688 -4.915) 12.973 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( -1.894 13.224 1.579) 13.452 4.605 ( 17.024 15.038 -7.288) 23.856 5.000 ( 5.144 -1.387 -1.754) 5.609 5.211 ( 1.215 12.690 -2.564) 13.004 5.739 ( 1.370 -0.329 -0.234) 1.429 6.026 ( 3.420 -2.095 -1.825) 4.406 6.486 ( -13.312 16.624 -2.394) 21.431 7.753 ( -0.046 1.901 -0.179) 1.910 8.737 ( 14.498 -4.148 7.960) 17.052 9.761 ( -2.482 -6.938 3.205) 8.035 10.248 ( -18.856 16.091 -0.274) 24.791 13.849 ( 6.071 -14.099 -2.560) 15.562 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( -6.055 9.651 0.957) 11.433 4.890 ( 6.237 4.731 -6.563) 10.216 5.118 ( 8.829 0.790 -0.264) 8.868 5.279 ( -4.980 7.515 -1.616) 9.159 5.635 ( -8.946 -5.102 -4.577) 11.270 6.052 ( 1.426 -0.399 0.260) 1.503 6.435 ( -11.639 19.619 -1.642) 22.870 7.741 ( -1.562 -0.470 -0.951) 1.888 8.884 ( 6.003 -9.423 9.962) 14.969 9.640 ( 1.968 -9.911 1.113) 10.165 10.208 ( -14.969 27.148 -0.066) 31.001 13.848 ( 10.842 -13.254 -1.438) 17.184 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -10.506 5.268 1.268) 11.821 4.929 ( -3.872 -1.099 -0.852) 4.114 5.121 ( -14.145 -3.436 -3.098) 14.882 5.218 ( 1.260 -1.526 2.244) 2.992 5.404 ( -9.887 1.725 -7.797) 12.709 6.063 ( -2.812 4.684 -1.091) 5.571 6.471 ( -4.271 15.816 -3.871) 16.833 7.693 ( -2.009 -2.445 0.383) 3.188 8.801 ( -5.553 -13.816 9.075) 17.438 9.670 ( 6.325 -3.294 0.983) 7.198 10.241 ( -8.663 23.996 -0.478) 25.516 13.955 ( 15.143 -10.151 -0.672) 18.243 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( -15.980 -0.390 2.395) 16.163 4.553 ( -27.787 -8.070 3.307) 29.124 4.941 ( -9.173 1.554 -5.646) 10.882 5.165 ( -5.646 -3.310 4.175) 7.763 5.262 ( -5.858 2.844 -8.672) 10.845 6.034 ( -5.995 5.431 -1.628) 8.252 6.533 ( -3.633 10.675 -7.307) 13.437 7.623 ( -3.005 -5.748 4.014) 7.628 8.519 ( -11.718 -12.457 5.024) 17.825 9.682 ( -5.466 1.739 1.248) 5.871 10.479 ( 12.843 17.155 0.033) 21.430 14.149 ( 16.757 -6.911 -0.709) 18.141 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -23.548 -6.497 4.089) 24.768 3.974 ( -31.592 -5.173 2.663) 32.123 4.717 ( -16.463 3.675 -5.300) 17.681 4.947 ( -14.844 -5.140 2.614) 15.925 5.241 ( 1.364 2.385 -6.324) 6.895 5.953 ( -7.634 3.072 -1.671) 8.397 6.454 ( -13.914 6.687 -8.313) 17.533 7.420 ( -13.456 -13.300 7.918) 20.509 8.331 ( 1.119 -1.785 -0.359) 2.138 9.568 ( -8.928 2.067 0.721) 9.193 10.965 ( 24.140 12.123 2.358) 27.116 14.368 ( 15.312 -4.894 -2.696) 16.300 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.000 28.267 14.750) 31.884 2.681 ( -0.000 29.930 17.643) 34.743 3.749 ( 0.000 6.186 -15.002) 16.228 3.962 ( -0.000 38.746 17.745) 42.616 4.767 ( 0.000 16.503 -24.056) 29.172 5.384 ( 0.000 6.357 -3.597) 7.304 5.639 ( -0.000 4.110 1.548) 4.392 6.643 ( -0.000 23.925 4.292) 24.307 8.841 ( 0.000 -17.661 -5.974) 18.644 9.341 ( -0.000 0.093 0.487) 0.496 12.285 ( -0.000 -13.596 11.650) 17.904 14.445 ( 0.000 -0.044 -22.914) 22.914 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -1.019 27.663 10.749) 29.695 3.088 ( 5.956 29.528 13.825) 33.144 3.871 ( 10.997 9.018 -14.259) 20.139 4.442 ( 8.084 28.216 15.112) 33.013 4.825 ( 1.625 8.406 -22.830) 24.383 5.504 ( 2.400 14.677 -4.640) 15.579 5.759 ( 7.768 6.831 1.506) 10.454 6.925 ( 1.804 24.766 4.553) 25.246 8.622 ( -3.107 -16.209 -4.457) 17.095 9.370 ( 2.307 1.756 0.414) 2.929 12.140 ( 0.158 -26.788 15.672) 31.036 14.320 ( -7.176 3.548 -22.315) 23.708 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 2.983 26.089 5.669) 26.864 3.521 ( 6.569 26.400 8.636) 28.543 4.202 ( 17.423 13.907 -10.798) 24.770 4.771 ( 3.796 5.991 -5.190) 8.789 4.954 ( 8.708 15.250 -0.083) 17.561 5.674 ( 3.860 10.245 -5.826) 12.401 6.067 ( 14.034 14.474 0.248) 20.162 7.206 ( 1.999 21.460 4.354) 21.988 8.407 ( -3.801 -11.169 -2.794) 12.125 9.464 ( 4.430 5.302 0.498) 6.927 11.834 ( -6.449 -32.825 14.166) 36.329 14.148 ( -8.428 2.233 -17.408) 19.470 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 9.256 23.969 2.838) 25.850 3.880 ( 4.772 22.142 2.572) 22.796 4.628 ( 15.714 15.744 -5.909) 23.016 4.828 ( 3.663 2.892 -10.389) 11.390 5.277 ( 9.613 11.177 7.377) 16.485 5.801 ( 4.468 4.504 -5.968) 8.710 6.463 ( 12.341 15.813 -1.642) 20.126 7.449 ( 3.747 14.880 4.704) 16.049 8.275 ( -1.400 -3.865 -1.473) 4.367 9.627 ( 5.189 9.359 1.049) 10.753 11.377 ( -13.660 -29.226 9.150) 33.533 13.965 ( -6.502 -4.076 -10.776) 13.229 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 12.205 19.679 3.153) 23.370 4.157 ( 3.983 19.985 -3.099) 20.612 4.842 ( 4.594 -0.398 -4.649) 6.548 5.046 ( 9.152 18.171 -5.664) 21.119 5.540 ( 7.948 6.294 6.099) 11.831 5.879 ( 4.472 -0.428 -5.839) 7.367 6.744 ( 1.892 16.268 -2.680) 16.595 7.670 ( 5.477 8.962 5.031) 11.646 8.282 ( 5.442 -0.878 0.094) 5.513 9.795 ( 1.974 6.374 2.534) 7.137 10.905 ( -15.646 -13.100 3.423) 20.691 13.774 ( -3.211 -11.794 -5.553) 13.425 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 0.789 14.203 2.268) 14.405 4.482 ( 12.969 17.501 -5.472) 22.459 4.897 ( 4.291 -0.922 -2.378) 4.992 5.310 ( 3.075 15.401 -3.091) 16.007 5.706 ( 3.895 2.567 2.651) 5.366 5.917 ( 4.529 -3.344 -4.134) 6.985 6.858 ( -7.449 19.408 -1.760) 20.863 7.798 ( -0.910 5.648 1.483) 5.910 8.443 ( 14.578 -5.182 4.494) 16.111 9.743 ( -5.629 -12.183 3.412) 13.848 10.709 ( -10.948 19.448 -0.343) 22.320 13.595 ( 1.935 -18.218 -2.673) 18.515 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( -4.859 11.702 0.455) 12.679 4.803 ( 8.655 8.791 -6.840) 14.107 4.979 ( 7.223 -0.163 1.007) 7.295 5.430 ( -3.168 9.289 -1.889) 9.995 5.717 ( -4.093 0.269 -1.878) 4.511 5.969 ( 5.409 -1.829 -1.016) 5.799 6.884 ( -13.131 22.563 -0.358) 26.108 7.783 ( -3.950 1.489 -1.321) 4.423 8.643 ( 13.327 -10.348 7.920) 18.639 9.515 ( -1.930 -14.922 1.422) 15.113 10.783 ( -14.526 32.784 -0.238) 35.859 13.487 ( 9.742 -20.640 -1.558) 22.877 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.342 ( -9.772 7.814 0.447) 12.520 4.914 ( 2.640 1.986 -5.099) 6.076 5.124 ( 6.742 -0.523 -1.163) 6.862 5.336 ( -12.354 -1.131 0.644) 12.423 5.612 ( -9.347 5.571 -2.332) 11.128 6.041 ( 4.323 -0.418 -2.436) 4.980 6.861 ( -15.160 22.696 -0.231) 27.295 7.710 ( -3.158 -2.284 -0.794) 3.977 8.703 ( 4.042 -14.138 8.009) 16.744 9.461 ( 8.884 -7.861 0.586) 11.877 10.789 ( -20.669 29.092 -0.181) 35.688 13.532 ( 17.582 -16.811 -1.166) 24.354 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.185 ( -14.871 2.826 1.136) 15.180 4.892 ( -13.066 -2.882 0.252) 13.383 5.002 ( -6.396 -2.178 -11.318) 13.181 5.220 ( -1.994 -0.273 8.467) 8.703 5.477 ( -12.486 6.094 -3.343) 14.290 6.081 ( 1.456 0.054 -4.611) 4.836 6.822 ( -12.990 19.116 -1.907) 23.190 7.628 ( -2.792 -5.126 2.702) 6.432 8.560 ( -5.578 -13.546 4.631) 15.364 9.618 ( 11.694 -2.530 1.974) 12.126 10.695 ( -15.189 19.342 -0.525) 24.598 13.734 ( 20.794 -9.998 -1.409) 23.116 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.889 ( -20.736 -1.416 2.168) 20.898 4.437 ( -27.184 -4.896 -2.307) 27.718 4.937 ( -5.100 1.704 -5.155) 7.449 5.144 ( -10.204 -0.410 5.412) 11.558 5.311 ( -8.805 3.862 -3.712) 10.306 6.055 ( -3.106 0.533 -4.808) 5.749 6.765 ( -12.417 13.357 -4.525) 18.790 7.498 ( -7.006 -9.205 7.158) 13.603 8.345 ( -5.882 -5.934 0.556) 8.374 9.708 ( -2.403 0.034 2.078) 3.177 10.766 ( 8.694 9.073 1.340) 12.637 14.007 ( 19.236 -4.875 -3.187) 20.099 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -0.000 29.040 5.040) 29.474 3.349 ( -0.000 24.966 15.436) 29.353 3.816 ( 0.000 11.174 -15.156) 18.830 4.676 ( -0.000 17.788 7.464) 19.291 4.828 ( 0.000 11.731 -14.079) 18.326 5.653 ( 0.000 19.224 -5.131) 19.897 5.729 ( -0.000 3.862 1.175) 4.037 7.198 ( -0.000 27.705 3.757) 27.959 8.483 ( 0.000 -13.526 -2.797) 13.812 9.364 ( -0.000 1.950 0.281) 1.970 11.896 ( -0.000 -31.768 15.113) 35.180 14.351 ( 0.000 3.050 -19.648) 19.883 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -2.821 24.913 1.818) 25.138 3.677 ( 6.016 20.524 7.996) 22.834 4.042 ( 13.322 18.084 -10.579) 24.828 4.740 ( 1.333 2.158 -10.855) 11.148 5.045 ( 3.282 19.271 7.773) 21.037 5.738 ( -0.914 8.765 -3.452) 9.464 5.949 ( 11.873 11.298 -1.091) 16.426 7.459 ( -1.471 23.659 2.183) 23.805 8.361 ( -1.899 -5.199 -0.862) 5.602 9.429 ( 4.441 3.964 0.249) 5.958 11.594 ( -1.432 -35.449 12.896) 37.749 14.258 ( -6.724 1.506 -15.485) 16.949 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 3.226 20.979 0.953) 21.247 3.991 ( 6.265 18.329 -0.537) 19.378 4.489 ( 16.840 18.978 -4.932) 25.847 4.767 ( 3.148 3.089 -8.302) 9.401 5.306 ( 4.619 13.430 8.684) 16.647 5.796 ( 0.363 5.460 -4.496) 7.082 6.301 ( 17.285 8.162 -0.184) 19.116 7.618 ( -2.056 13.890 1.249) 14.097 8.322 ( -3.720 6.767 -0.052) 7.722 9.601 ( 7.983 7.802 0.638) 11.180 11.227 ( -3.997 -34.408 8.976) 35.784 14.060 ( -10.617 -2.207 -10.462) 15.068 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 9.025 17.778 2.168) 20.055 4.256 ( 5.146 16.794 -5.154) 18.305 4.768 ( 3.680 3.090 -2.711) 5.517 5.003 ( 14.111 17.110 -5.022) 22.740 5.523 ( 4.861 8.159 7.651) 12.195 5.821 ( 0.309 1.207 -4.843) 5.001 6.687 ( 17.232 8.054 -0.252) 19.023 7.714 ( 1.648 6.872 2.872) 7.628 8.332 ( -6.182 11.027 -1.159) 12.694 9.810 ( 4.291 5.910 2.055) 7.588 10.889 ( -1.471 -21.414 3.912) 21.818 13.788 ( -11.638 -7.978 -5.912) 15.298 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.326 ( 9.045 12.691 2.745) 15.824 4.483 ( 5.536 15.273 -6.024) 17.326 4.835 ( 2.398 2.350 -1.595) 3.717 5.361 ( 8.780 15.067 -2.843) 17.668 5.685 ( 3.967 4.392 5.598) 8.146 5.809 ( 1.516 -2.666 -4.602) 5.531 7.022 ( 8.853 13.040 -1.189) 15.806 7.850 ( 5.602 3.920 5.030) 8.488 8.307 ( -4.656 4.507 -1.701) 6.700 9.744 ( -8.125 -13.235 2.982) 15.814 10.912 ( 7.975 12.524 0.065) 14.847 13.470 ( -9.551 -15.563 -2.791) 18.472 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( 0.656 10.232 -0.273) 10.257 4.729 ( 8.670 9.465 -3.412) 13.282 4.892 ( 2.763 1.376 0.017) 3.087 5.558 ( -0.800 9.783 -1.122) 9.879 5.758 ( 0.616 2.047 -0.996) 2.359 5.843 ( 6.133 -1.546 -0.371) 6.335 7.241 ( -1.498 18.826 -0.598) 18.895 7.926 ( -6.635 6.120 0.491) 9.040 8.315 ( 10.538 -10.141 3.482) 15.034 9.435 ( -7.086 -16.806 1.377) 18.290 11.256 ( 1.390 32.151 -0.206) 32.182 13.158 ( -1.324 -24.126 -1.329) 24.199 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( -6.332 8.017 0.067) 10.216 4.874 ( 2.814 2.977 -5.915) 7.195 4.995 ( 7.303 -0.034 1.987) 7.568 5.522 ( -8.443 1.790 1.206) 8.714 5.780 ( -3.259 5.625 -1.838) 6.756 5.935 ( 5.712 -0.718 -1.970) 6.085 7.343 ( -11.032 22.185 1.563) 24.826 7.780 ( -9.590 -1.199 -2.656) 10.023 8.433 ( 12.693 -14.437 5.831) 20.088 9.259 ( 3.321 -9.949 0.283) 10.492 11.458 ( -18.744 32.768 0.026) 37.750 13.020 ( 16.358 -24.334 -1.029) 29.339 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.463 ( -12.603 3.687 1.084) 13.176 4.916 ( 2.156 1.381 -4.769) 5.413 5.053 ( -1.441 -3.650 -5.656) 6.884 5.373 ( -10.056 2.600 8.815) 13.623 5.715 ( -9.169 3.815 -2.370) 10.210 6.008 ( 4.349 -0.114 -4.536) 6.285 7.283 ( -18.529 16.373 0.435) 24.730 7.638 ( -2.879 -4.168 2.026) 5.456 8.457 ( 4.044 -12.212 2.382) 13.083 9.355 ( 13.602 -2.934 1.221) 13.968 11.263 ( -28.178 14.956 -0.208) 31.902 13.229 ( 25.354 -9.918 -1.287) 27.256 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( -17.406 0.260 1.911) 17.512 4.784 ( -19.458 -4.418 -7.238) 21.225 4.950 ( 1.430 1.695 -4.989) 5.460 5.322 ( -6.257 3.499 10.531) 12.739 5.533 ( -12.582 0.948 -3.092) 12.991 6.053 ( 1.897 1.309 -5.742) 6.187 7.083 ( -14.407 3.016 -1.553) 14.801 7.569 ( -5.376 -0.551 7.062) 8.893 8.374 ( -2.832 -4.703 -1.175) 5.615 9.604 ( 13.384 -0.246 2.744) 13.665 10.911 ( -17.615 0.608 -0.018) 17.625 13.602 ( 22.786 -0.476 -2.626) 22.942 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.740 ( -0.000 8.289 2.027) 8.533 3.772 ( 0.000 26.850 -6.516) 27.629 4.117 ( -0.000 24.456 -2.652) 24.600 4.719 ( 0.000 2.351 -7.097) 7.477 5.231 ( -0.000 16.605 8.926) 18.852 5.802 ( -0.000 2.649 0.777) 2.761 5.950 ( 0.000 11.955 -4.434) 12.751 7.669 ( -0.000 13.076 -0.364) 13.081 8.399 ( -0.000 10.448 1.362) 10.537 9.421 ( -0.000 3.511 0.067) 3.511 11.283 ( -0.000 -36.367 10.781) 37.931 14.281 ( 0.000 -0.183 -12.538) 12.539 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 1.336 10.872 -1.347) 11.036 4.050 ( 5.371 19.784 -9.431) 22.565 4.448 ( 9.919 22.377 -0.530) 24.483 4.746 ( 1.092 4.291 -2.112) 4.906 5.418 ( 1.327 12.409 8.822) 15.283 5.835 ( 0.275 3.391 -1.442) 3.696 6.112 ( 9.940 4.774 -1.217) 11.094 7.730 ( -0.915 3.358 -0.917) 3.599 8.547 ( -4.057 22.041 0.925) 22.430 9.528 ( 7.483 5.568 0.169) 9.329 10.941 ( -1.297 -35.369 7.837) 36.250 14.171 ( -7.238 -2.292 -8.938) 11.727 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( 7.541 10.815 0.549) 13.196 4.289 ( 5.809 15.234 -9.760) 19.002 4.774 ( 2.169 9.126 0.614) 9.401 4.903 ( 12.952 14.503 -1.900) 19.537 5.571 ( 1.801 7.279 7.827) 10.839 5.849 ( -1.754 2.761 -2.407) 4.061 6.399 ( 19.461 2.116 0.858) 19.595 7.739 ( 0.245 1.032 0.164) 1.074 8.652 ( -9.737 21.402 -1.155) 23.541 9.767 ( 9.315 7.432 0.987) 11.957 10.620 ( 2.344 -29.022 4.139) 29.410 13.935 ( -13.112 -4.854 -5.361) 14.975 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( 10.506 8.675 1.685) 13.729 4.496 ( 5.819 11.134 -6.164) 13.994 4.862 ( 0.001 7.370 -0.282) 7.375 5.282 ( 13.833 11.959 -2.067) 18.403 5.677 ( 2.884 1.920 5.587) 6.574 5.818 ( -3.499 1.941 -1.439) 4.252 6.813 ( 23.054 4.763 0.561) 23.548 7.772 ( 3.305 -0.908 2.068) 4.003 8.618 ( -14.917 15.749 -2.845) 21.878 9.777 ( -8.613 -11.243 2.197) 14.332 10.690 ( 23.132 0.701 0.436) 23.147 13.591 ( -17.447 -8.329 -2.528) 19.498 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 8.897 6.287 0.071) 10.894 4.673 ( 5.800 6.176 -0.489) 8.486 4.920 ( -1.007 6.208 -1.394) 6.442 5.582 ( 9.744 7.716 -1.996) 12.588 5.735 ( 0.581 -1.834 -1.516) 2.449 5.790 ( 0.022 2.889 4.237) 5.128 7.250 ( 17.553 10.220 -1.166) 20.345 7.853 ( 8.950 -5.834 4.513) 11.597 8.434 ( -18.854 8.397 -3.495) 20.933 9.441 ( -11.446 -14.870 1.037) 18.794 11.254 ( 27.457 17.485 -0.050) 32.552 13.150 ( -20.032 -13.805 -0.857) 24.344 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.686 ( 2.311 6.520 -0.298) 6.924 4.805 ( 5.394 -0.415 -0.381) 5.423 4.944 ( -0.371 3.176 -0.072) 3.198 5.673 ( -5.621 2.185 1.798) 6.293 5.758 ( 6.533 0.110 -4.484) 7.924 5.877 ( 3.241 2.727 2.351) 4.845 7.570 ( 5.105 13.553 -0.933) 14.513 7.987 ( 9.289 -6.605 3.358) 11.882 8.134 ( -14.671 -3.084 -1.782) 15.097 9.177 ( -4.535 -7.793 0.185) 9.018 11.903 ( 16.986 29.800 0.082) 34.302 12.635 ( -14.135 -25.649 -0.365) 29.289 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -8.514 1.626 2.248) 8.955 4.860 ( 4.051 0.205 -5.336) 6.702 4.998 ( 2.862 0.164 0.352) 2.888 5.590 ( -8.031 3.079 5.746) 10.344 5.800 ( 0.578 -2.307 -4.763) 5.324 5.943 ( 1.832 2.063 -0.856) 2.889 7.646 ( -6.718 -9.055 -0.486) 11.286 7.764 ( -16.817 13.331 2.677) 21.626 8.197 ( 14.107 -7.985 -0.390) 16.215 9.158 ( 6.448 -0.028 0.356) 6.458 11.895 ( -33.257 -0.295 0.131) 33.259 12.672 ( 31.126 1.015 -0.652) 31.150 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( -12.977 -3.293 1.938) 13.528 4.915 ( 1.718 2.648 -5.623) 6.448 4.970 ( -6.257 -0.666 -3.669) 7.284 5.513 ( -7.439 3.733 9.970) 12.988 5.692 ( -7.396 -3.128 -3.478) 8.751 5.999 ( 3.560 1.632 -4.353) 5.855 7.274 ( -14.730 -14.584 -0.385) 20.732 7.730 ( -6.411 5.956 6.510) 10.907 8.331 ( 5.163 2.218 -3.228) 6.481 9.364 ( 13.932 2.801 1.557) 14.296 11.265 ( -27.900 -14.745 -0.138) 31.557 13.225 ( 24.293 10.550 -1.434) 26.523 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 0.000 5.412 -2.574) 5.992 4.168 ( 0.000 19.163 -13.757) 23.590 4.582 ( -0.000 20.288 1.852) 20.372 4.801 ( -0.000 7.425 2.619) 7.874 5.549 ( -0.000 9.968 8.854) 13.333 5.840 ( -0.000 0.759 0.303) 0.817 6.062 ( 0.000 1.730 -1.642) 2.385 7.744 ( 0.000 0.081 -0.957) 0.960 8.839 ( -0.000 26.229 -0.490) 26.233 9.497 ( -0.000 3.843 -0.019) 3.843 10.633 ( -0.000 -32.685 5.866) 33.207 14.185 ( 0.000 -3.001 -6.590) 7.242 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( 5.997 5.299 -1.504) 8.143 4.324 ( 3.067 14.159 -9.984) 17.594 4.840 ( 6.899 15.921 0.828) 17.371 4.891 ( 0.397 8.809 2.414) 9.142 5.647 ( -0.951 4.757 7.295) 8.761 5.885 ( 1.907 3.052 0.504) 3.634 6.130 ( 10.106 -2.151 0.242) 10.336 7.741 ( -0.088 0.113 -0.446) 0.469 9.019 ( -7.112 21.815 -2.671) 23.100 9.647 ( 11.539 6.024 0.139) 13.017 10.327 ( -1.235 -28.489 3.509) 28.730 14.067 ( -7.880 -3.385 -3.918) 9.429 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 10.461 4.304 -0.165) 11.313 4.491 ( 4.531 9.973 -3.246) 11.425 4.961 ( -1.390 8.953 0.145) 9.061 5.154 ( 12.070 9.724 -0.466) 15.507 5.666 ( 0.057 -1.706 4.011) 4.359 5.912 ( -3.093 3.788 1.882) 5.240 6.417 ( 23.392 -0.631 1.079) 23.426 7.742 ( 0.358 -0.302 0.258) 0.535 9.016 ( -13.024 15.132 -4.308) 20.425 9.818 ( -5.074 -6.353 1.263) 8.228 10.231 ( 22.994 -7.739 0.449) 24.266 13.823 ( -15.342 -3.362 -1.551) 15.783 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 11.595 2.093 -0.131) 11.783 4.649 ( 4.299 6.120 2.347) 7.839 5.010 ( -1.888 6.562 -0.943) 6.893 5.435 ( 11.825 4.493 -1.947) 12.799 5.667 ( 3.153 -3.954 1.571) 5.296 5.887 ( -4.203 2.945 3.500) 6.212 6.880 ( 28.142 1.431 0.011) 28.179 7.746 ( 1.103 -2.189 1.143) 2.705 8.846 ( -18.319 8.226 -4.917) 20.674 9.531 ( -12.579 -10.137 0.546) 16.164 10.780 ( 35.765 4.245 -0.007) 36.016 13.461 ( -22.479 -2.831 0.018) 22.657 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.580 ( 10.775 -0.581 -0.993) 10.836 4.765 ( 2.294 2.695 4.731) 5.908 5.015 ( -2.831 3.009 -0.276) 4.141 5.595 ( 7.002 -2.734 -5.719) 9.445 5.736 ( 5.133 -0.203 2.227) 5.599 5.869 ( -1.498 2.347 4.851) 5.593 7.380 ( 26.921 2.143 -1.958) 27.077 7.734 ( 1.203 -6.287 2.025) 6.714 8.528 ( -21.694 2.076 -3.699) 22.104 9.264 ( -10.426 -1.578 -0.159) 10.546 11.459 ( 37.952 0.099 -0.030) 37.952 13.002 ( -28.890 1.430 0.743) 28.935 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( 5.943 -7.172 -2.306) 9.596 4.812 ( -0.269 3.874 4.216) 5.731 4.994 ( -0.918 1.027 1.000) 1.702 5.650 ( 5.790 -3.145 -6.264) 9.092 5.756 ( -2.894 -0.887 4.133) 5.123 5.927 ( 2.714 1.139 2.474) 3.845 7.637 ( -3.403 -13.438 1.392) 13.932 7.798 ( 19.522 -1.796 -4.290) 20.068 8.192 ( -16.424 5.920 0.705) 17.473 9.162 ( -3.517 6.002 -0.461) 6.972 11.897 ( 16.384 -29.176 -0.176) 33.462 12.665 ( -14.216 27.307 0.857) 30.798 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( -5.878 -10.181 -0.000) 11.756 4.900 ( 2.665 4.616 -0.000) 5.330 5.011 ( 0.476 0.825 -0.000) 0.952 5.665 ( -3.667 -6.351 -0.000) 7.333 5.694 ( 0.755 1.307 0.000) 1.510 5.963 ( 0.484 0.839 0.000) 0.968 7.323 ( -11.892 -20.597 -0.000) 23.783 7.855 ( -2.261 -3.917 -0.000) 4.523 8.271 ( 7.280 12.609 0.000) 14.560 9.252 ( 4.927 8.534 -0.000) 9.854 11.458 ( -18.729 -32.439 -0.000) 37.458 13.044 ( 14.875 25.764 -0.000) 29.750 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 0.000 3.531 -1.866) 3.993 4.406 ( 0.000 12.179 -4.758) 13.075 4.916 ( -0.000 11.493 1.437) 11.582 4.995 ( -0.000 8.933 1.471) 9.054 5.744 ( -0.000 3.236 7.975) 8.606 5.838 ( 0.000 -0.809 -0.271) 0.853 6.035 ( -0.000 -2.707 0.474) 2.748 7.743 ( 0.000 0.308 -0.427) 0.527 9.277 ( 0.000 17.410 -4.933) 18.096 9.563 ( -0.000 2.538 0.049) 2.539 10.105 ( 0.000 -21.443 2.099) 21.545 14.100 ( 0.000 -2.048 -1.971) 2.842 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 6.883 2.123 -1.132) 7.291 4.531 ( 1.931 9.801 1.972) 10.182 5.059 ( 2.142 5.285 1.146) 5.817 5.078 ( 3.544 7.684 -0.022) 8.462 5.676 ( -3.955 -4.658 2.502) 6.603 5.993 ( 1.798 5.456 4.043) 7.025 6.045 ( 13.841 -5.636 -0.095) 14.945 7.742 ( -0.219 0.073 -0.268) 0.354 9.311 ( -8.221 9.630 -6.441) 14.205 9.752 ( 15.792 3.849 -0.161) 16.255 9.894 ( -2.944 -15.028 0.711) 15.330 14.012 ( -8.424 -0.203 -0.104) 8.427 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( 10.650 -0.367 -0.824) 10.689 4.668 ( 2.434 6.727 6.529) 9.685 5.092 ( -1.486 2.666 1.071) 3.234 5.269 ( 10.522 2.225 -0.432) 10.763 5.578 ( 0.113 -7.956 -0.330) 7.964 5.986 ( -2.889 1.159 3.743) 4.868 6.402 ( 25.433 -0.743 0.439) 25.447 7.733 ( -0.437 -0.679 -0.164) 0.824 9.157 ( -13.549 1.218 -7.091) 15.341 9.662 ( -9.990 -3.526 -0.213) 10.596 10.208 ( 30.768 0.508 -0.013) 30.772 13.806 ( -16.605 2.173 1.157) 16.786 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( 11.345 -4.053 -0.966) 12.086 4.782 ( 1.806 3.930 7.674) 8.809 5.069 ( -1.824 -2.607 2.784) 4.228 5.428 ( 6.735 -2.585 -6.209) 9.518 5.569 ( 8.885 -6.197 1.594) 10.949 5.961 ( -3.158 1.730 5.316) 6.420 6.866 ( 28.749 -2.263 -0.586) 28.844 7.710 ( -0.914 -1.653 -0.566) 1.971 8.838 ( -17.182 -5.746 -5.444) 18.918 9.480 ( -11.579 5.354 -1.312) 12.824 10.785 ( 35.626 -3.764 0.231) 35.825 13.503 ( -23.029 6.402 1.689) 23.962 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( 9.852 -8.729 -1.629) 13.263 4.857 ( 0.576 2.599 7.018) 7.506 5.007 ( -0.931 -6.049 3.866) 7.239 5.463 ( 6.615 -4.420 -9.825) 12.643 5.688 ( 7.768 -6.374 3.090) 10.513 5.956 ( -1.661 2.963 6.039) 6.928 7.285 ( 22.750 -9.179 -0.037) 24.532 7.666 ( -0.468 -1.471 -3.760) 4.065 8.476 ( -14.922 -4.518 -1.388) 15.652 9.370 ( -9.672 11.135 -1.801) 14.859 11.261 ( 27.183 -17.062 0.242) 32.095 13.214 ( -21.024 16.629 1.752) 26.862 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 0.000 0.755 -1.041) 1.286 4.628 ( -0.000 9.171 7.430) 11.803 5.042 ( -0.000 0.054 1.206) 1.208 5.132 ( -0.000 2.959 1.547) 3.339 5.684 ( 0.000 -12.034 0.024) 12.034 5.817 ( 0.000 -0.565 -0.972) 1.124 6.057 ( -0.000 3.768 4.545) 5.904 7.744 ( 0.000 -0.113 -0.439) 0.453 9.427 ( 0.000 0.972 -8.816) 8.869 9.591 ( -0.000 0.026 0.149) 0.151 9.849 ( 0.000 -3.492 -0.086) 3.494 14.100 ( -0.000 2.599 1.303) 2.907 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 6.179 -1.595 -1.114) 6.478 4.742 ( 0.141 6.842 10.366) 12.421 5.069 ( 4.122 -5.696 1.751) 7.246 5.149 ( 2.684 -3.188 4.345) 6.021 5.504 ( -2.654 -10.705 -4.846) 12.047 5.935 ( 10.336 -3.618 -0.769) 10.978 6.139 ( 4.616 5.517 5.184) 8.866 7.735 ( -0.459 -0.505 -0.644) 0.939 9.279 ( -7.741 -8.635 -8.604) 14.441 9.719 ( 8.958 -3.699 -1.181) 9.763 9.859 ( 4.070 9.152 -0.331) 10.022 14.070 ( -8.703 5.188 2.197) 10.368 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.121 ( 9.166 -5.692 -1.462) 10.888 4.830 ( 0.451 3.474 10.150) 10.738 5.004 ( 0.866 -15.060 4.023) 15.612 5.253 ( 10.505 -4.851 3.429) 12.068 5.385 ( 1.513 -6.587 -7.406) 10.026 6.012 ( 1.326 -0.637 4.109) 4.364 6.413 ( 20.279 1.338 1.733) 20.397 7.712 ( -1.103 -1.033 -1.284) 1.983 8.964 ( -11.408 -14.340 -7.086) 19.646 9.707 ( -5.985 5.077 -2.771) 8.323 10.232 ( 24.883 4.372 0.434) 25.267 13.923 ( -16.251 7.930 2.499) 18.254 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( 9.716 -11.051 -1.666) 14.808 4.877 ( 3.108 -18.345 8.327) 20.385 4.898 ( 0.990 1.386 4.763) 5.059 5.309 ( 3.091 -3.369 -9.457) 10.504 5.443 ( 12.023 -8.257 3.413) 14.979 6.027 ( -1.089 0.961 6.391) 6.554 6.809 ( 23.965 -2.907 0.870) 24.156 7.658 ( -2.373 -3.049 -3.417) 5.157 8.600 ( -10.799 -13.392 -3.647) 17.586 9.642 ( -8.201 9.377 -3.099) 12.837 10.690 ( 24.386 -3.290 0.428) 24.610 13.715 ( -18.993 12.589 2.539) 22.927 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 0.000 -3.290 -1.640) 3.677 4.850 ( -0.000 6.142 10.006) 11.740 4.941 ( -0.000 -10.602 2.573) 10.910 5.048 ( -0.000 -18.295 9.898) 20.801 5.403 ( 0.000 -8.395 -8.694) 12.085 5.806 ( 0.000 0.065 -1.667) 1.668 6.190 ( -0.000 5.217 7.124) 8.830 7.732 ( 0.000 -0.427 -1.047) 1.131 9.189 ( 0.000 -17.549 -9.476) 19.944 9.566 ( 0.000 -2.559 0.139) 2.563 9.984 ( 0.000 16.404 -2.292) 16.564 14.217 ( -0.000 7.352 2.770) 7.857 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 4.690 -7.091 -2.606) 8.892 4.789 ( 0.616 -25.555 1.039) 25.583 4.857 ( 2.016 -6.195 5.387) 8.454 5.037 ( 6.825 -3.936 14.213) 16.251 5.306 ( -0.422 -5.518 -7.733) 9.509 5.887 ( 8.879 -1.338 -0.799) 9.014 6.282 ( 3.015 4.255 8.071) 9.609 7.717 ( -0.890 -0.467 -1.831) 2.089 8.905 ( -5.451 -21.653 -8.128) 23.762 9.626 ( 8.743 -5.122 -0.671) 10.155 10.179 ( 1.767 22.681 -2.310) 22.867 14.232 ( -8.560 8.884 2.851) 12.662 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 6.913 -13.292 -2.840) 15.248 4.567 ( 5.488 -27.712 0.501) 28.255 4.883 ( 4.989 -5.482 6.227) 9.681 5.162 ( 6.631 -6.308 8.657) 12.598 5.231 ( 2.685 -5.094 -6.164) 8.436 6.011 ( 5.443 -2.242 3.187) 6.694 6.468 ( 13.622 0.770 5.922) 14.874 7.662 ( -3.052 -3.485 -3.911) 6.063 8.567 ( -6.071 -18.839 -4.864) 20.382 9.697 ( 4.941 -4.365 -1.852) 6.848 10.486 ( 7.761 20.724 -1.389) 22.173 14.132 ( -14.518 10.707 2.824) 18.259 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 0.000 -10.304 -4.581) 11.277 4.484 ( 0.000 -33.041 -2.690) 33.150 4.696 ( -0.000 -15.283 5.974) 16.409 5.067 ( -0.000 3.431 16.041) 16.404 5.218 ( 0.000 -8.775 -5.743) 10.488 5.787 ( 0.000 -0.949 -2.008) 2.221 6.325 ( -0.000 1.068 10.715) 10.768 7.715 ( 0.000 -0.743 -2.896) 2.990 8.688 ( 0.000 -24.183 -7.180) 25.227 9.498 ( 0.000 -4.004 0.019) 4.004 10.414 ( -0.000 27.107 -3.236) 27.299 14.407 ( -0.000 9.397 2.701) 9.778 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 3.112 -16.468 -5.492) 17.636 4.164 ( 4.459 -33.751 -3.814) 34.257 4.647 ( 8.476 -14.061 6.792) 17.767 5.079 ( -0.127 -13.057 0.584) 13.070 5.166 ( 1.059 3.098 7.175) 7.886 5.847 ( 8.260 -2.398 -0.949) 8.653 6.362 ( 2.753 -4.213 10.989) 12.087 7.649 ( -2.583 -7.843 -5.560) 9.955 8.440 ( -1.987 -15.074 -3.289) 15.556 9.516 ( 6.215 -5.329 -0.326) 8.194 10.691 ( 0.364 29.198 -2.822) 29.336 14.439 ( -7.954 9.708 2.423) 12.782 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 0.000 -21.091 -7.722) 22.460 3.742 ( 0.000 -37.286 -6.522) 37.852 4.455 ( -0.000 -13.004 8.907) 15.762 4.910 ( 0.000 -19.443 -1.529) 19.503 5.232 ( -0.000 4.182 9.277) 10.176 5.740 ( 0.000 -2.521 -1.929) 3.174 6.294 ( -0.000 -12.800 11.579) 17.260 7.515 ( 0.000 -20.029 -7.822) 21.503 8.375 ( -0.000 0.964 0.582) 1.126 9.418 ( 0.000 -3.733 -0.066) 3.734 10.983 ( -0.000 30.770 -2.343) 30.859 14.609 ( -0.000 9.017 1.592) 9.156 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.000 0.000 33.217) 33.217 0.996 ( -0.000 0.000 33.217) 33.217 1.778 ( -0.000 0.000 60.393) 60.393 3.765 ( 0.000 -0.000 -11.712) 11.712 3.765 ( 0.000 -0.000 -11.712) 11.712 5.468 ( -0.000 0.000 2.221) 2.221 5.468 ( -0.000 0.000 2.221) 2.221 6.789 ( 0.000 -0.000 -27.807) 27.807 9.386 ( -0.000 0.000 0.814) 0.814 9.386 ( -0.000 0.000 0.814) 0.814 9.877 ( -0.000 0.000 7.906) 7.906 15.296 ( -0.000 0.000 0.259) 0.259 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 14.193 8.194 26.833) 31.442 1.439 ( 15.050 8.689 33.254) 37.521 2.282 ( 29.035 16.764 43.315) 54.775 3.803 ( 4.623 2.669 -11.398) 12.586 3.924 ( 15.419 8.902 -19.197) 26.182 5.482 ( -1.210 -0.698 0.358) 1.442 5.490 ( 1.336 0.771 2.185) 2.675 6.279 ( -11.952 -6.900 -4.049) 14.382 9.383 ( -0.671 -0.387 0.854) 1.153 9.446 ( -5.081 -2.933 -9.046) 10.782 11.159 ( 74.550 43.041 -29.766) 91.084 14.998 ( -22.491 -12.985 0.843) 25.984 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 22.516 13.000 18.312) 31.801 1.836 ( 12.427 7.175 28.847) 32.219 3.234 ( 40.126 23.167 24.971) 52.634 3.905 ( 7.230 4.174 -10.748) 13.610 4.271 ( 20.073 11.589 -21.313) 31.488 5.412 ( -2.107 -1.216 -5.379) 5.903 5.540 ( 2.367 1.367 1.983) 3.377 6.331 ( 11.864 6.849 1.921) 13.833 9.218 ( -11.506 -6.643 -7.576) 15.295 9.366 ( -0.930 -0.537 0.723) 1.294 12.354 ( 34.514 19.927 -12.825) 41.866 14.423 ( -22.957 -13.254 -10.819) 28.631 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 17.347 10.016 16.300) 25.825 2.324 ( 24.005 13.859 12.542) 30.424 4.067 ( 9.629 5.559 -9.744) 14.784 4.164 ( 32.221 18.603 18.349) 41.485 4.699 ( 22.214 12.825 -22.605) 34.190 5.425 ( 6.517 3.762 -6.630) 10.029 5.608 ( 2.873 1.659 1.834) 3.790 6.693 ( 17.108 9.877 4.466) 20.253 8.897 ( -13.732 -7.928 -6.019) 16.960 9.353 ( -0.174 -0.100 0.485) 0.525 12.644 ( -10.713 -6.185 17.950) 21.800 14.037 ( -1.966 -1.135 -29.360) 29.447 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 23.047 13.306 5.786) 27.234 2.887 ( 21.387 12.348 8.334) 26.063 4.284 ( 11.625 6.712 -8.313) 15.790 4.756 ( 14.971 8.643 5.938) 18.278 5.088 ( 16.416 9.478 -10.505) 21.672 5.680 ( 2.794 1.613 1.888) 3.739 5.739 ( 21.410 12.361 -9.033) 26.320 7.111 ( 17.232 9.949 5.546) 20.657 8.584 ( -10.942 -6.317 -3.774) 13.186 9.367 ( 1.397 0.806 0.253) 1.633 12.136 ( -33.047 -19.080 17.281) 41.890 14.058 ( 6.833 3.945 -21.363) 22.774 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 26.767 15.454 -0.856) 30.920 3.345 ( 16.238 9.375 4.998) 19.405 4.543 ( 12.521 7.229 -6.407) 15.814 4.955 ( 4.793 2.767 -4.375) 7.055 5.442 ( 14.871 8.586 1.318) 17.222 5.744 ( 2.050 1.184 2.051) 3.132 6.167 ( 15.335 8.853 -11.245) 20.976 7.486 ( 12.418 7.170 4.825) 15.129 8.437 ( 0.436 0.252 0.396) 0.641 9.419 ( 2.984 1.723 0.095) 3.447 11.372 ( -35.350 -20.409 10.334) 42.106 14.127 ( 3.139 1.812 -10.890) 11.478 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( 10.581 6.109 2.635) 12.499 3.955 ( 27.251 15.733 -5.174) 31.889 4.804 ( 11.149 6.437 -4.286) 13.569 5.022 ( 2.831 1.635 -3.999) 5.166 5.751 ( 11.207 6.470 1.583) 13.037 5.783 ( 0.737 0.425 2.063) 2.232 6.318 ( 0.978 0.564 -10.548) 10.608 7.676 ( 3.990 2.303 1.695) 4.909 8.627 ( 13.053 7.536 6.216) 16.304 9.497 ( 3.513 2.028 -0.026) 4.057 10.626 ( -30.445 -17.578 5.979) 35.660 14.136 ( 0.252 0.145 -5.342) 5.350 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 5.503 3.177 1.439) 6.515 4.521 ( 22.550 13.020 -8.335) 27.341 5.008 ( 7.000 4.041 -2.461) 8.449 5.079 ( 3.476 2.007 -2.311) 4.631 5.791 ( -0.540 -0.312 1.768) 1.874 5.962 ( 6.419 3.706 -1.264) 7.519 6.182 ( -8.939 -5.161 -6.500) 12.198 7.733 ( 1.251 0.722 -0.141) 1.451 8.948 ( 10.327 5.962 9.717) 15.383 9.568 ( 2.378 1.373 -0.143) 2.750 10.059 ( -18.855 -10.886 3.466) 22.045 14.123 ( 0.232 0.134 -2.858) 2.870 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 0.810 0.468 1.340) 1.634 4.874 ( 9.134 5.274 -7.117) 12.724 5.089 ( 0.163 0.094 -1.687) 1.697 5.194 ( 6.913 3.991 -2.277) 8.301 5.778 ( -0.695 -0.401 1.419) 1.630 5.784 ( -17.628 -10.178 -7.667) 21.752 6.161 ( 6.327 3.653 -0.885) 7.360 7.740 ( -0.544 -0.314 -0.476) 0.788 9.103 ( -0.538 -0.311 11.531) 11.548 9.597 ( 0.028 0.016 -0.199) 0.201 9.819 ( -2.343 -1.353 1.673) 3.181 14.148 ( 2.848 1.644 -1.602) 3.658 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -4.110 -2.373 2.328) 5.286 4.910 ( -7.267 -4.196 0.966) 8.447 4.996 ( -7.391 -4.267 -2.840) 8.994 5.255 ( -7.846 -4.530 6.467) 11.131 5.367 ( -6.361 -3.673 -19.039) 20.407 5.773 ( -0.230 -0.133 1.536) 1.559 6.321 ( 7.837 4.525 -5.820) 10.759 7.713 ( -1.527 -0.882 0.688) 1.893 8.981 ( -13.030 -7.523 11.015) 18.647 9.568 ( -2.310 -1.334 -0.135) 2.671 9.956 ( 13.346 7.706 0.689) 15.426 14.251 ( 6.274 3.622 -0.575) 7.268 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( -10.253 -5.920 4.583) 12.695 4.441 ( -29.136 -16.822 5.984) 34.171 4.753 ( -11.774 -6.798 -5.699) 14.742 5.153 ( -2.392 -1.381 2.307) 3.599 5.239 ( -4.029 -2.326 -14.080) 14.829 5.768 ( -0.872 -0.503 1.848) 2.104 6.428 ( 2.058 1.188 -10.473) 10.739 7.684 ( -2.057 -1.188 3.571) 4.289 8.619 ( -18.503 -10.683 6.864) 22.441 9.498 ( -3.519 -2.032 -0.011) 4.063 10.393 ( 23.135 13.357 1.143) 26.739 14.421 ( 8.227 4.750 -0.173) 9.501 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.000 24.865 27.389) 36.992 1.502 ( -0.000 22.101 27.396) 35.199 2.373 ( -0.000 22.675 47.597) 52.722 3.663 ( 0.000 0.465 -14.217) 14.225 3.954 ( 0.000 20.644 -17.297) 26.933 5.497 ( -0.000 -0.406 0.576) 0.704 5.503 ( -0.000 1.925 2.123) 2.866 6.216 ( 0.000 -15.737 -8.414) 17.846 9.377 ( -0.000 -1.172 0.802) 1.420 9.412 ( 0.000 -6.508 -8.439) 10.657 11.057 ( 0.000 78.836 -22.081) 81.870 15.034 ( 0.000 -21.732 -0.316) 21.734 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 4.173 28.455 20.713) 35.442 1.910 ( 5.259 16.723 30.615) 35.278 3.008 ( 24.806 30.899 29.417) 49.350 3.723 ( 9.674 1.250 -13.810) 16.908 4.162 ( 6.111 21.655 -19.243) 29.607 5.419 ( -3.421 -4.278 -4.814) 7.292 5.551 ( 1.232 3.631 1.978) 4.314 6.215 ( 8.326 6.422 -1.585) 10.634 9.250 ( -5.369 -11.013 -7.557) 14.395 9.370 ( 0.033 -1.138 0.673) 1.323 11.983 ( 30.294 42.685 -16.818) 54.978 14.627 ( -18.430 -19.759 -6.175) 27.717 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 7.117 16.640 20.849) 27.608 2.284 ( 10.554 27.621 17.718) 34.470 3.863 ( 24.129 16.325 2.434) 29.234 3.926 ( 18.690 14.814 4.268) 24.228 4.467 ( 12.902 18.600 -21.485) 31.209 5.357 ( 2.053 1.091 -7.115) 7.485 5.628 ( 1.320 6.139 1.845) 6.545 6.527 ( 14.727 11.715 2.561) 18.992 8.976 ( -9.361 -12.526 -6.391) 16.893 9.363 ( -0.235 0.165 0.544) 0.615 12.616 ( 13.398 3.310 8.251) 16.080 14.102 ( -16.888 -6.015 -22.039) 28.409 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 12.673 18.003 11.798) 24.978 2.814 ( 12.905 25.664 11.464) 30.929 4.133 ( 12.193 8.406 -10.773) 18.313 4.606 ( 17.907 13.859 11.677) 25.477 4.822 ( 18.694 11.709 -17.787) 28.336 5.515 ( 12.842 9.579 -7.438) 17.664 5.736 ( 1.452 11.142 1.755) 11.372 6.930 ( 16.714 10.885 4.476) 20.441 8.665 ( -9.754 -11.194 -4.815) 15.608 9.376 ( 0.263 2.513 0.371) 2.554 12.467 ( -20.691 -23.312 19.904) 36.983 13.929 ( 3.111 7.008 -25.840) 26.953 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 19.059 19.458 4.255) 27.567 3.286 ( 10.659 21.065 7.174) 24.675 4.412 ( 11.628 11.826 -8.622) 18.693 4.862 ( 6.769 2.628 -6.281) 9.601 5.233 ( 17.603 7.958 1.803) 19.402 5.757 ( 5.055 5.441 -2.412) 7.808 6.009 ( 11.645 18.615 -5.923) 22.742 7.331 ( 15.771 8.382 5.291) 18.627 8.434 ( -3.654 -6.157 -2.209) 7.493 9.429 ( 1.051 5.590 0.288) 5.695 11.781 ( -32.481 -24.784 11.950) 42.568 14.014 ( 6.072 1.626 -13.466) 14.861 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 8.493 15.367 5.385) 18.365 3.689 ( 21.055 19.878 -2.330) 29.049 4.704 ( 10.025 12.896 -6.080) 17.429 4.948 ( 4.756 0.097 -5.691) 7.418 5.566 ( 12.844 3.712 2.781) 13.656 5.861 ( 1.076 7.560 -0.696) 7.668 6.276 ( 3.785 9.379 -8.830) 13.426 7.619 ( 7.530 3.921 3.305) 9.110 8.472 ( 11.033 1.702 3.039) 11.570 9.523 ( 1.124 8.842 0.341) 8.919 11.005 ( -32.586 -21.037 6.470) 39.322 14.056 ( 3.940 -3.917 -6.200) 8.325 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 2.873 11.377 2.440) 11.985 4.255 ( 22.210 17.077 -5.538) 28.559 4.957 ( 6.622 11.083 -3.734) 13.440 5.010 ( 4.459 -0.160 -3.221) 5.503 5.746 ( 4.901 -0.562 1.054) 5.044 5.967 ( 2.732 8.281 -0.747) 8.752 6.273 ( -7.301 2.942 -7.305) 10.738 7.719 ( 1.755 1.543 0.533) 2.397 8.781 ( 16.325 2.506 7.991) 18.347 9.637 ( -0.322 11.647 0.575) 11.666 10.323 ( -25.799 -15.071 3.418) 30.073 14.047 ( 3.364 -6.616 -3.084) 8.038 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( -1.000 7.900 1.432) 8.091 4.709 ( 15.071 10.541 -8.539) 20.278 5.095 ( 6.533 1.128 -1.397) 6.776 5.113 ( 1.010 7.575 -1.926) 7.881 5.740 ( -2.607 -5.191 -1.981) 6.138 6.076 ( -10.175 -0.916 -2.239) 10.459 6.105 ( -0.468 10.978 -2.369) 11.241 7.741 ( 0.008 0.207 -0.420) 0.469 9.043 ( 9.171 -2.804 10.621) 14.310 9.738 ( -2.892 13.632 0.781) 13.957 9.875 ( -12.949 -7.714 1.516) 15.148 14.043 ( 5.455 -6.645 -1.979) 8.822 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( -4.968 4.444 1.564) 6.847 4.906 ( 4.115 2.234 -5.717) 7.390 5.109 ( -6.961 2.391 -2.152) 7.669 5.236 ( 6.011 1.780 -2.122) 6.619 5.480 ( -15.431 -11.459 -4.941) 19.845 5.917 ( -9.498 8.732 0.780) 12.925 6.237 ( 5.044 6.480 -4.322) 9.280 7.726 ( -1.025 -0.997 0.115) 1.434 9.075 ( -3.249 -9.424 11.543) 15.251 9.704 ( -6.938 3.526 0.488) 7.798 9.852 ( 4.376 10.033 0.446) 10.955 14.106 ( 9.223 -4.852 -1.406) 10.516 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( -9.521 0.306 2.862) 9.947 4.772 ( -22.184 -11.085 3.554) 25.052 4.912 ( -10.335 -1.204 -5.349) 11.699 5.170 ( -4.986 0.721 -9.299) 10.576 5.257 ( -2.845 -2.920 -1.012) 4.201 5.879 ( -6.176 8.081 0.870) 10.208 6.363 ( 4.108 4.736 -8.481) 10.546 7.698 ( -0.767 -1.598 2.035) 2.699 8.821 ( -14.934 -14.121 9.007) 22.441 9.620 ( -8.250 4.435 0.513) 9.380 10.163 ( 17.694 13.104 1.000) 22.041 14.252 ( 12.118 -2.882 -1.204) 12.514 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.000 23.653 24.236) 33.865 2.161 ( -0.000 27.422 21.430) 34.802 3.233 ( -0.000 37.409 27.558) 46.464 3.606 ( 0.000 3.328 -15.289) 15.647 4.280 ( 0.000 22.694 -19.831) 30.138 5.384 ( 0.000 -5.810 -6.215) 8.508 5.569 ( -0.000 3.304 1.700) 3.716 6.242 ( -0.000 15.929 -0.308) 15.932 9.145 ( 0.000 -14.199 -6.911) 15.792 9.356 ( -0.000 -1.181 0.726) 1.387 12.114 ( 0.000 36.328 -7.609) 37.117 14.559 ( 0.000 -19.490 -11.245) 22.501 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 0.898 21.693 19.536) 29.207 2.534 ( 3.288 29.678 19.213) 35.507 3.673 ( 9.977 8.060 -13.695) 18.763 3.857 ( 16.520 31.963 17.642) 40.072 4.462 ( 3.662 19.450 -21.121) 28.945 5.325 ( 0.439 1.336 -6.638) 6.786 5.649 ( 3.683 5.007 1.570) 6.411 6.493 ( 6.697 19.310 2.154) 20.552 8.933 ( -4.422 -15.662 -5.807) 17.279 9.358 ( 0.872 -0.253 0.579) 1.077 12.461 ( 10.324 5.801 8.206) 14.408 14.237 ( -12.273 -7.879 -20.931) 25.511 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 3.499 21.285 12.741) 25.052 2.984 ( 6.529 30.287 14.547) 34.228 3.936 ( 15.677 8.856 -13.417) 22.455 4.513 ( 17.403 22.171 15.842) 32.332 4.644 ( 7.887 12.414 -22.203) 26.632 5.425 ( 6.610 10.397 -6.499) 13.929 5.807 ( 5.312 10.798 1.646) 12.146 6.834 ( 10.038 16.961 3.496) 20.016 8.664 ( -6.665 -14.433 -4.528) 16.530 9.389 ( 1.560 2.370 0.427) 2.869 12.488 ( -3.707 -24.514 19.362) 31.457 13.967 ( -7.564 7.278 -25.929) 27.973 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 10.106 22.405 6.289) 25.371 3.418 ( 5.808 26.036 9.744) 28.400 4.286 ( 15.288 14.088 -10.520) 23.300 4.748 ( 5.991 3.220 -11.095) 13.014 5.052 ( 15.932 13.489 6.031) 21.729 5.655 ( 9.104 8.088 -6.647) 13.874 6.077 ( 7.004 20.348 -0.188) 21.521 7.189 ( 12.322 12.413 4.429) 18.042 8.419 ( -4.822 -10.020 -2.990) 11.515 9.467 ( 2.285 6.436 0.441) 6.843 12.020 ( -21.017 -30.693 13.611) 39.611 13.923 ( 0.838 4.359 -16.046) 16.649 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 15.841 22.127 2.568) 27.334 3.755 ( 3.644 20.695 4.740) 21.542 4.655 ( 11.620 17.543 -7.383) 22.300 4.833 ( 5.705 0.126 -7.793) 9.659 5.416 ( 12.121 7.723 4.986) 15.212 5.828 ( 6.682 3.611 -5.347) 9.288 6.370 ( 1.910 19.611 -3.501) 20.012 7.518 ( 11.179 7.616 4.653) 14.304 8.329 ( 4.373 -3.447 -0.317) 5.577 9.598 ( 2.494 10.692 0.757) 11.005 11.334 ( -27.888 -24.976 6.745) 38.040 13.921 ( 2.788 -4.655 -7.319) 9.111 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 1.597 15.812 4.127) 16.420 4.079 ( 17.531 20.409 -3.080) 27.080 4.903 ( 5.314 -0.245 -5.057) 7.339 4.972 ( 6.939 16.223 -3.975) 18.087 5.655 ( 7.294 3.345 2.531) 8.414 5.935 ( 5.102 0.946 -4.533) 6.890 6.486 ( -7.026 16.173 -3.919) 18.064 7.708 ( 2.997 3.852 1.775) 5.193 8.516 ( 16.654 -0.531 4.770) 17.332 9.752 ( 1.266 10.958 1.629) 11.151 10.662 ( -27.256 -13.446 2.416) 30.488 13.879 ( 3.689 -11.015 -3.161) 12.038 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( -2.293 12.751 1.571) 13.050 4.542 ( 15.423 14.607 -5.854) 22.034 4.984 ( 6.161 -0.298 -1.487) 6.344 5.187 ( 1.773 13.057 -2.324) 13.380 5.731 ( -0.466 -1.246 -1.344) 1.891 6.005 ( 4.781 -1.527 -2.683) 5.691 6.463 ( -13.055 18.008 -2.190) 22.350 7.750 ( -0.553 1.498 -0.350) 1.635 8.817 ( 15.954 -4.196 8.447) 18.534 9.790 ( -2.776 -6.900 2.754) 7.931 10.245 ( -19.056 15.392 -0.399) 24.499 13.828 ( 6.343 -13.805 -1.812) 15.300 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -5.949 9.375 1.068) 11.154 4.819 ( 7.273 5.842 -8.088) 12.347 5.113 ( 7.539 1.084 -0.801) 7.658 5.268 ( -4.300 7.875 -0.687) 8.998 5.599 ( -9.817 -5.117 -2.874) 11.438 6.045 ( 1.838 -0.764 -1.706) 2.622 6.420 ( -12.454 20.268 -1.427) 23.831 7.734 ( -1.255 -0.637 -0.446) 1.476 8.983 ( 6.682 -9.958 10.304) 15.811 9.650 ( 1.501 -10.435 0.975) 10.587 10.208 ( -14.874 27.127 -0.042) 30.937 13.834 ( 11.014 -13.041 -1.583) 17.143 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -9.993 5.079 1.480) 11.307 4.903 ( 1.247 1.142 -4.848) 5.134 5.060 ( -14.210 -5.631 -7.387) 16.976 5.259 ( -0.249 0.458 3.592) 3.629 5.351 ( -12.944 2.163 -2.093) 13.290 6.045 ( -2.145 2.926 -2.686) 4.514 6.437 ( -6.739 16.868 -3.156) 18.437 7.700 ( -1.071 -1.997 1.086) 2.513 8.887 ( -6.180 -15.439 8.768) 18.800 9.684 ( 6.761 -3.064 1.901) 7.662 10.236 ( -8.797 23.839 -0.497) 25.415 13.943 ( 15.306 -10.046 -1.704) 18.387 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -0.000 23.207 15.342) 27.820 2.850 ( -0.000 28.675 17.276) 33.477 3.603 ( 0.000 6.133 -15.171) 16.364 4.131 ( -0.000 36.446 16.231) 39.897 4.542 ( 0.000 14.982 -21.529) 26.229 5.341 ( 0.000 7.694 -5.528) 9.474 5.652 ( -0.000 4.012 1.166) 4.178 6.678 ( -0.000 24.867 2.941) 25.041 8.789 ( 0.000 -16.809 -4.609) 17.429 9.346 ( -0.000 -0.023 0.539) 0.540 12.413 ( -0.000 -8.625 14.993) 17.296 14.217 ( 0.000 -1.441 -24.499) 24.542 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -1.225 23.110 8.687) 24.719 3.231 ( 4.535 27.929 15.766) 32.390 3.731 ( 11.852 9.412 -14.891) 21.232 4.589 ( 7.604 26.003 15.307) 31.117 4.612 ( 2.344 10.879 -21.090) 23.846 5.456 ( 1.879 14.580 -5.366) 15.649 5.772 ( 7.897 6.618 1.075) 10.359 6.961 ( 1.903 24.903 3.026) 25.158 8.585 ( -3.094 -15.163 -3.225) 15.808 9.374 ( 2.313 1.671 0.388) 2.880 12.304 ( 0.421 -27.738 18.359) 33.266 14.097 ( -6.813 6.859 -24.079) 25.947 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 2.906 23.222 3.693) 23.693 3.614 ( 4.589 22.783 10.562) 25.528 4.095 ( 19.013 16.112 -11.295) 27.361 4.668 ( 3.200 4.545 -12.616) 13.786 5.015 ( 9.526 18.402 9.240) 22.688 5.619 ( 3.416 10.818 -5.527) 12.619 6.071 ( 13.600 13.713 0.508) 19.320 7.239 ( 2.492 20.961 2.583) 21.266 8.384 ( -3.839 -10.080 -1.980) 10.967 9.469 ( 4.536 5.348 0.369) 7.023 11.972 ( -7.660 -35.640 14.107) 39.088 13.982 ( -6.594 6.175 -16.814) 19.087 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 9.361 23.042 2.010) 24.952 3.911 ( 3.762 18.165 3.720) 18.919 4.571 ( 16.911 18.905 -5.934) 26.050 4.735 ( 3.990 3.449 -8.572) 10.064 5.348 ( 8.777 11.441 6.954) 16.009 5.746 ( 4.202 4.826 -5.258) 8.282 6.451 ( 11.218 15.892 -0.875) 19.472 7.486 ( 4.888 14.434 3.028) 15.537 8.263 ( -1.269 -3.320 -1.134) 3.731 9.636 ( 5.475 9.732 0.742) 11.191 11.458 ( -15.439 -31.324 7.555) 35.730 13.870 ( -4.470 -1.917 -8.708) 9.974 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 13.206 20.531 2.046) 24.497 4.139 ( 2.347 16.303 -0.554) 16.480 4.799 ( 4.676 0.851 -4.129) 6.296 4.998 ( 10.138 19.555 -4.320) 22.446 5.591 ( 6.709 6.473 4.490) 10.348 5.827 ( 4.487 -0.208 -4.972) 6.701 6.721 ( 1.280 16.898 -2.075) 17.073 7.710 ( 4.825 9.043 3.242) 10.750 8.286 ( 7.376 -1.220 0.676) 7.507 9.816 ( 2.503 7.360 1.806) 7.981 10.933 ( -17.178 -14.986 2.291) 22.911 13.729 ( -1.972 -10.908 -3.634) 11.666 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -0.356 13.200 1.196) 13.259 4.441 ( 12.771 17.057 -2.926) 21.508 4.878 ( 5.079 0.330 -1.657) 5.353 5.285 ( 3.476 16.031 -2.163) 16.545 5.722 ( 1.771 2.068 0.709) 2.813 5.882 ( 5.589 -2.381 -3.413) 6.968 6.842 ( -7.172 20.180 -1.551) 21.473 7.805 ( -2.461 5.354 0.056) 5.892 8.491 ( 17.070 -5.509 5.198) 18.675 9.771 ( -5.795 -12.553 2.456) 14.042 10.705 ( -11.251 19.187 -0.483) 22.248 13.575 ( 2.324 -17.888 -1.528) 18.103 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.372 ( -4.710 11.227 0.416) 12.182 4.739 ( 7.349 8.705 -6.375) 13.055 4.990 ( 7.494 0.886 1.218) 7.643 5.418 ( -2.861 9.831 -0.476) 10.250 5.698 ( -4.837 0.460 -1.936) 5.230 5.953 ( 5.427 -1.657 -2.464) 6.187 6.881 ( -13.022 23.377 -0.188) 26.760 7.770 ( -3.898 0.921 -1.379) 4.237 8.719 ( 14.555 -10.854 7.823) 19.770 9.526 ( -2.416 -15.619 0.947) 15.833 10.781 ( -14.382 32.933 -0.176) 35.937 13.474 ( 9.720 -20.480 -1.213) 22.702 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( -9.481 7.704 0.785) 12.241 4.855 ( 3.337 3.066 -7.185) 8.495 5.099 ( 2.072 -1.904 -3.307) 4.342 5.369 ( -8.466 1.292 5.446) 10.149 5.589 ( -9.836 5.750 -2.394) 11.642 6.008 ( 3.686 -1.120 -4.367) 5.823 6.862 ( -15.904 23.276 0.304) 28.192 7.707 ( -2.074 -2.078 0.023) 2.936 8.776 ( 3.911 -15.960 7.209) 17.944 9.469 ( 9.426 -7.728 0.964) 12.228 10.787 ( -20.858 29.036 -0.221) 35.752 13.518 ( 17.492 -16.701 -1.543) 24.234 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -0.000 24.053 1.934) 24.130 3.500 ( -0.000 23.189 15.947) 28.144 3.668 ( 0.000 12.336 -15.681) 19.952 4.615 ( 0.000 5.899 -13.615) 14.838 4.841 ( -0.000 25.633 10.903) 27.856 5.606 ( 0.000 19.014 -4.629) 19.569 5.738 ( -0.000 3.818 0.637) 3.871 7.225 ( -0.000 26.937 1.980) 27.010 8.463 ( 0.000 -12.150 -1.467) 12.239 9.367 ( -0.000 1.830 0.265) 1.850 12.049 ( -0.000 -34.170 16.580) 37.980 14.157 ( 0.000 7.208 -20.659) 21.881 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -1.488 22.316 -2.966) 22.561 3.739 ( 5.853 12.073 2.729) 13.691 3.963 ( 12.670 24.428 -3.807) 27.780 4.646 ( 1.158 5.066 -7.670) 9.265 5.130 ( 3.210 19.199 9.203) 21.532 5.705 ( -2.003 10.254 -3.251) 10.942 5.944 ( 12.689 10.112 -0.176) 16.227 7.471 ( -1.220 22.232 0.203) 22.267 8.357 ( -2.166 -3.718 0.038) 4.303 9.432 ( 4.518 3.910 0.182) 5.977 11.717 ( -1.979 -38.219 12.618) 40.296 14.110 ( -5.922 5.282 -15.028) 16.994 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 4.727 20.860 -1.724) 21.458 3.979 ( 6.888 12.827 -2.402) 14.756 4.455 ( 16.478 21.617 -1.747) 27.237 4.707 ( 2.183 5.620 -3.914) 7.188 5.385 ( 4.227 13.334 7.569) 15.905 5.758 ( -0.357 6.042 -3.236) 6.863 6.303 ( 17.318 8.325 0.548) 19.223 7.622 ( -1.056 13.169 -0.429) 13.218 8.322 ( -4.332 7.146 0.028) 8.357 9.606 ( 8.278 7.950 0.381) 11.483 11.308 ( -5.137 -36.608 7.651) 37.750 13.966 ( -9.364 0.288 -8.944) 12.952 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( 9.977 18.581 1.291) 21.130 4.209 ( 5.869 13.274 -4.471) 15.187 4.750 ( 2.804 4.395 -0.998) 5.308 4.966 ( 14.146 18.665 -2.647) 23.569 5.587 ( 4.173 8.244 5.570) 10.789 5.783 ( -0.303 1.764 -2.926) 3.430 6.687 ( 16.400 8.499 0.286) 18.473 7.734 ( 3.321 6.956 1.383) 7.832 8.320 ( -6.501 10.357 -1.354) 12.303 9.826 ( 4.986 6.550 1.153) 8.312 10.923 ( -2.990 -23.246 2.964) 23.624 13.739 ( -10.535 -6.696 -4.217) 13.176 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.352 ( 8.370 11.266 2.668) 14.286 4.433 ( 6.657 15.928 -4.413) 17.818 4.823 ( 2.245 3.135 -0.764) 3.931 5.339 ( 9.055 15.599 -1.528) 18.101 5.727 ( 2.110 4.671 3.294) 6.093 5.773 ( 1.727 -2.171 -2.779) 3.927 7.013 ( 8.311 13.302 -0.665) 15.699 7.887 ( 5.079 4.976 2.700) 7.606 8.293 ( -2.605 2.832 -1.017) 3.980 9.766 ( -8.119 -13.584 1.632) 15.909 10.913 ( 7.454 12.207 0.044) 14.303 13.449 ( -8.982 -15.025 -1.526) 17.571 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 0.615 9.794 -0.240) 9.816 4.699 ( 6.737 10.118 -2.747) 12.462 4.897 ( 4.197 1.685 0.903) 4.611 5.555 ( -0.377 10.815 0.445) 10.830 5.740 ( 0.690 0.115 -1.985) 2.105 5.841 ( 4.515 0.449 -0.610) 4.578 7.238 ( -0.741 19.066 0.031) 19.080 7.919 ( -9.349 6.347 -1.903) 11.459 8.354 ( 14.017 -11.267 4.444) 18.525 9.445 ( -7.369 -17.374 0.660) 18.883 11.255 ( 1.420 32.331 -0.135) 32.363 13.148 ( -1.320 -23.919 -0.669) 23.965 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( -6.050 8.429 0.671) 10.397 4.816 ( 2.336 3.343 -5.858) 7.138 5.009 ( 5.618 -0.367 1.016) 5.721 5.547 ( -7.285 3.254 3.989) 8.921 5.759 ( -2.833 5.076 -2.482) 6.321 5.909 ( 4.120 -0.380 -3.494) 5.415 7.360 ( -11.022 23.251 2.012) 25.810 7.755 ( -8.327 -1.718 -2.478) 8.856 8.486 ( 12.803 -16.162 5.050) 21.228 9.262 ( 3.454 -9.987 0.234) 10.570 11.459 ( -18.813 32.854 0.032) 37.859 13.010 ( 16.138 -24.236 -0.962) 29.133 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 0.000 23.058 -10.106) 25.175 3.722 ( 0.000 7.085 -5.436) 8.930 4.131 ( -0.000 25.409 5.176) 25.931 4.679 ( 0.000 5.972 -1.185) 6.089 5.314 ( -0.000 16.402 8.286) 18.376 5.806 ( -0.000 2.631 0.121) 2.633 5.919 ( 0.000 12.579 -2.003) 12.738 7.658 ( 0.000 12.162 -1.843) 12.301 8.412 ( -0.000 10.957 1.252) 11.029 9.421 ( -0.000 3.443 0.037) 3.443 11.382 ( -0.000 -38.885 9.724) 40.082 14.164 ( 0.000 3.050 -11.584) 11.979 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 2.332 12.750 -4.186) 13.620 3.953 ( 7.227 15.989 -10.458) 20.427 4.462 ( 8.436 22.221 3.379) 24.008 4.747 ( 0.165 6.790 1.998) 7.080 5.496 ( 1.117 12.378 7.321) 14.425 5.823 ( -0.808 3.959 -0.783) 4.116 6.109 ( 10.931 4.986 0.554) 12.027 7.717 ( -0.595 3.785 -1.731) 4.204 8.550 ( -4.343 20.921 -0.310) 21.369 9.529 ( 7.626 5.579 0.065) 9.449 11.009 ( -1.733 -37.373 6.254) 37.933 14.091 ( -6.725 0.124 -7.506) 10.079 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 8.876 11.334 0.052) 14.396 4.202 ( 7.196 15.007 -8.467) 18.673 4.787 ( 1.506 9.533 2.027) 9.862 4.897 ( 11.458 14.791 0.590) 18.720 5.634 ( 1.365 6.769 5.111) 8.591 5.838 ( -2.315 3.814 0.255) 4.469 6.410 ( 19.482 2.255 1.521) 19.671 7.737 ( 0.975 1.481 -0.403) 1.818 8.633 ( -9.923 20.229 -2.665) 22.689 9.773 ( 9.846 7.684 0.284) 12.493 10.654 ( 1.404 -30.623 2.996) 30.801 13.890 ( -12.483 -3.274 -3.841) 13.465 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( 10.915 7.632 1.412) 13.394 4.449 ( 6.840 13.943 -3.591) 15.940 4.861 ( -0.663 6.750 0.182) 6.785 5.269 ( 13.331 11.949 -0.614) 17.913 5.713 ( 2.140 0.714 1.977) 3.000 5.822 ( -3.873 3.824 2.141) 5.849 6.819 ( 22.345 4.643 0.820) 22.837 7.789 ( 4.629 -0.866 1.527) 4.950 8.584 ( -14.812 14.975 -4.136) 21.465 9.790 ( -8.466 -11.406 0.619) 14.218 10.695 ( 22.683 0.090 0.553) 22.690 13.572 ( -17.033 -7.421 -1.312) 18.626 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 8.282 5.673 0.004) 10.039 4.678 ( 6.088 8.709 1.460) 10.726 4.908 ( -0.898 5.576 -1.223) 5.779 5.565 ( 10.019 6.467 -1.544) 12.024 5.728 ( -0.928 -0.472 0.337) 1.094 5.826 ( -0.114 3.352 2.717) 4.317 7.241 ( 17.023 9.623 -0.690) 19.567 7.892 ( 10.113 -5.864 3.487) 12.199 8.397 ( -18.240 7.881 -4.305) 20.331 9.447 ( -11.524 -15.185 0.194) 19.063 11.254 ( 27.398 17.468 0.045) 32.493 13.145 ( -19.984 -13.312 -0.101) 24.012 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.685 ( 3.667 6.352 -0.000) 7.335 4.803 ( 0.830 1.438 -0.000) 1.661 4.944 ( 1.509 2.614 -0.000) 3.019 5.687 ( -0.662 -1.146 0.000) 1.324 5.730 ( 2.023 3.504 -0.000) 4.046 5.888 ( 1.917 3.320 -0.000) 3.834 7.566 ( 7.194 12.461 -0.000) 14.388 8.005 ( -0.771 -1.335 -0.000) 1.542 8.124 ( -4.928 -8.535 0.000) 9.856 9.178 ( -4.568 -7.913 -0.000) 9.137 11.904 ( 17.176 29.749 -0.000) 34.351 12.633 ( -14.598 -25.284 -0.000) 29.195 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( 0.000 6.401 -4.186) 7.648 4.050 ( 0.000 20.169 -10.729) 22.845 4.611 ( -0.000 19.207 3.951) 19.609 4.834 ( -0.000 7.843 4.251) 8.921 5.628 ( -0.000 10.336 7.484) 12.761 5.840 ( 0.000 0.733 -0.389) 0.830 6.061 ( -0.000 2.067 1.382) 2.486 7.733 ( 0.000 0.685 -1.331) 1.497 8.824 ( -0.000 24.645 -2.580) 24.780 9.497 ( -0.000 3.853 -0.010) 3.853 10.681 ( 0.000 -34.323 3.981) 34.554 14.128 ( 0.000 -0.925 -5.064) 5.147 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 6.932 5.809 -2.247) 9.319 4.248 ( 3.635 17.716 -5.893) 19.021 4.856 ( 6.261 14.942 2.355) 16.371 4.917 ( -0.320 7.833 2.969) 8.383 5.705 ( -1.954 3.677 4.707) 6.285 5.898 ( 2.243 4.483 2.182) 5.467 6.140 ( 10.388 -2.428 1.878) 10.832 7.736 ( 0.116 0.482 -0.641) 0.810 8.982 ( -7.029 20.500 -4.921) 22.224 9.647 ( 11.610 5.981 -0.095) 13.060 10.353 ( -1.445 -29.654 1.837) 29.746 14.036 ( -7.660 -1.778 -2.457) 8.239 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 11.132 4.054 -0.743) 11.871 4.477 ( 5.003 14.119 0.347) 14.983 4.964 ( -2.025 7.936 0.552) 8.208 5.156 ( 11.321 9.303 0.742) 14.672 5.696 ( -0.403 -2.491 2.414) 3.492 5.940 ( -3.279 4.363 3.552) 6.512 6.429 ( 23.233 -1.036 1.420) 23.300 7.744 ( 0.835 -0.266 0.205) 0.900 8.964 ( -12.715 14.194 -6.369) 20.093 9.823 ( -4.719 -6.147 -0.328) 7.756 10.236 ( 22.592 -8.598 0.537) 24.179 13.813 ( -15.176 -2.259 -0.424) 15.349 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.376 ( 11.741 1.697 -0.345) 11.868 4.685 ( 4.235 8.712 4.838) 10.828 5.001 ( -2.341 6.991 -1.101) 7.454 5.421 ( 10.777 3.460 -0.972) 11.360 5.681 ( 2.968 -4.164 1.559) 5.346 5.923 ( -4.017 3.516 3.657) 6.471 6.880 ( 27.462 0.949 0.030) 27.478 7.758 ( 1.976 -2.706 1.267) 3.582 8.789 ( -17.597 7.830 -6.737) 20.405 9.532 ( -12.548 -10.274 -0.240) 16.220 10.780 ( 35.751 4.164 0.088) 35.993 13.465 ( -22.501 -2.154 0.672) 22.614 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 0.000 4.311 -2.274) 4.874 4.383 ( -0.000 16.894 -0.238) 16.895 4.933 ( -0.000 10.755 2.202) 10.978 5.012 ( -0.000 7.412 2.020) 7.683 5.816 ( -0.000 2.267 7.097) 7.450 5.833 ( 0.000 -0.882 -0.858) 1.230 6.050 ( -0.000 -2.672 2.646) 3.761 7.738 ( 0.000 0.495 -0.479) 0.688 9.217 ( 0.000 16.079 -7.469) 17.730 9.564 ( -0.000 2.582 0.100) 2.584 10.117 ( 0.000 -22.202 0.323) 22.205 14.087 ( 0.000 -0.643 -0.689) 0.943 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 7.101 2.463 -1.468) 7.658 4.567 ( 1.950 13.882 5.374) 15.013 5.071 ( 0.064 5.599 1.322) 5.753 5.082 ( 4.915 6.838 0.891) 8.469 5.698 ( -4.208 -6.089 2.176) 7.715 6.035 ( -0.980 4.574 4.163) 6.261 6.048 ( 16.647 -5.439 0.951) 17.538 7.740 ( -0.091 0.047 -0.218) 0.241 9.237 ( -7.909 8.680 -8.836) 14.696 9.749 ( 15.734 3.916 -0.392) 16.219 9.896 ( -2.855 -15.453 -0.315) 15.717 14.016 ( -8.412 0.833 0.765) 8.488 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( 10.835 -0.449 -1.028) 10.893 4.740 ( 1.936 8.786 8.132) 12.127 5.103 ( -2.027 4.795 1.162) 5.334 5.266 ( 9.570 1.637 -0.170) 9.711 5.581 ( 0.418 -10.251 1.062) 10.314 6.021 ( -2.281 1.284 3.292) 4.206 6.409 ( 24.752 -0.842 0.915) 24.783 7.732 ( -0.208 -1.059 0.028) 1.080 9.077 ( -12.796 1.129 -9.289) 15.852 9.658 ( -9.940 -4.086 -0.615) 10.764 10.208 ( 30.849 0.649 0.010) 30.855 13.819 ( -16.697 2.815 1.489) 16.998 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.960 ( 0.000 0.970 -1.354) 1.666 4.708 ( -0.000 11.964 9.119) 15.043 5.056 ( -0.000 0.104 1.604) 1.607 5.149 ( -0.000 4.912 2.118) 5.349 5.693 ( 0.000 -16.616 1.949) 16.730 5.806 ( 0.000 -0.755 -1.309) 1.511 6.102 ( -0.000 4.887 4.586) 6.702 7.740 ( 0.000 -0.265 -0.363) 0.449 9.331 ( 0.000 0.475 -11.179) 11.189 9.593 ( -0.000 0.034 0.196) 0.199 9.845 ( 0.000 -3.775 -0.822) 3.864 14.115 ( -0.000 3.363 1.671) 3.755 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 6.213 -1.789 -1.452) 6.626 4.836 ( -0.174 7.187 8.847) 11.399 5.088 ( 4.909 -5.337 2.167) 7.568 5.197 ( 0.847 2.164 5.264) 5.755 5.468 ( -2.422 -16.485 -1.971) 16.779 5.926 ( 11.673 -3.669 -0.976) 12.275 6.190 ( 3.454 6.323 5.349) 8.973 7.729 ( -0.428 -0.893 -0.546) 1.131 9.184 ( -7.138 -7.992 -10.931) 15.307 9.710 ( 7.591 -4.034 -0.794) 8.633 9.856 ( 5.414 8.672 -0.365) 10.230 14.090 ( -8.771 5.640 1.946) 10.608 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 0.000 -3.980 -2.163) 4.530 4.905 ( -0.000 -1.438 2.317) 2.727 4.968 ( -0.000 -9.569 2.947) 10.013 5.187 ( -0.000 -11.786 17.832) 21.375 5.324 ( 0.000 -8.871 -7.817) 11.824 5.789 ( 0.000 -0.127 -1.735) 1.740 6.259 ( -0.000 6.877 7.070) 9.863 7.722 ( 0.000 -0.979 -1.088) 1.464 9.089 ( 0.000 -16.338 -11.161) 19.786 9.567 ( 0.000 -2.610 0.148) 2.614 9.967 ( -0.000 15.575 -1.449) 15.642 14.239 ( -0.000 7.593 1.794) 7.802 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -0.000 0.000 31.305) 31.305 1.306 ( -0.000 0.000 31.305) 31.305 2.347 ( -0.000 0.000 58.408) 58.408 3.639 ( 0.000 -0.000 -14.291) 14.291 3.639 ( 0.000 -0.000 -14.291) 14.291 5.490 ( -0.000 0.000 2.252) 2.252 5.490 ( -0.000 0.000 2.252) 2.252 6.494 ( 0.000 -0.000 -33.512) 33.512 9.395 ( -0.000 0.000 0.881) 0.881 9.395 ( -0.000 0.000 0.881) 0.881 9.953 ( -0.000 0.000 7.729) 7.729 15.298 ( -0.000 0.000 0.280) 0.280 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 10.795 6.233 27.514) 30.206 1.750 ( 17.227 9.946 31.465) 37.225 2.702 ( 18.024 10.406 43.329) 48.069 3.681 ( 5.175 2.988 -14.063) 15.280 3.746 ( 13.684 7.901 -17.462) 23.550 5.478 ( -3.792 -2.190 -1.490) 4.626 5.511 ( 1.269 0.733 2.155) 2.606 6.184 ( -4.082 -2.357 -14.814) 15.546 9.370 ( -5.330 -3.078 -6.696) 9.095 9.391 ( -0.707 -0.408 0.797) 1.141 10.958 ( 65.466 37.797 -13.905) 76.862 15.005 ( -23.437 -13.531 0.647) 27.070 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 19.382 11.190 20.862) 30.596 2.129 ( 8.137 4.698 31.840) 33.198 3.457 ( 35.876 20.713 19.805) 45.917 3.788 ( 7.941 4.585 -13.506) 16.324 4.081 ( 19.109 11.033 -16.691) 27.667 5.347 ( -3.136 -1.810 -8.326) 9.080 5.559 ( 2.287 1.321 1.945) 3.280 6.330 ( 14.695 8.484 -2.026) 17.089 9.149 ( -11.186 -6.458 -6.561) 14.487 9.372 ( -1.004 -0.580 0.591) 1.301 12.241 ( 45.190 26.091 -10.540) 53.235 14.343 ( -30.580 -17.656 -6.042) 35.824 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 11.624 6.711 20.595) 24.582 2.458 ( 21.584 12.461 15.353) 29.272 3.960 ( 10.530 6.079 -12.535) 17.463 4.335 ( 31.637 18.265 15.821) 39.810 4.485 ( 20.952 12.096 -20.680) 31.827 5.352 ( 7.008 4.046 -8.552) 11.773 5.626 ( 2.860 1.651 1.841) 3.781 6.726 ( 18.337 10.587 2.320) 21.301 8.841 ( -13.161 -7.598 -5.563) 16.183 9.357 ( -0.254 -0.147 0.357) 0.462 12.824 ( -3.022 -1.745 19.272) 19.585 13.760 ( -6.409 -3.700 -28.084) 29.043 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 18.874 10.897 10.110) 24.024 2.979 ( 19.378 11.188 10.882) 24.882 4.192 ( 12.775 7.375 -10.861) 18.318 4.756 ( 10.097 5.829 -6.714) 13.453 5.032 ( 22.085 12.751 -0.223) 25.502 5.655 ( 20.314 11.728 -8.265) 24.870 5.699 ( 2.849 1.645 1.923) 3.811 7.159 ( 17.801 10.277 4.391) 21.018 8.547 ( -9.831 -5.676 -3.896) 12.002 9.369 ( 1.338 0.772 0.188) 1.556 12.292 ( -36.565 -21.111 14.617) 44.681 13.868 ( 12.179 7.032 -17.446) 22.409 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 23.943 13.824 3.230) 27.835 3.403 ( 14.610 8.435 6.935) 18.240 4.472 ( 13.830 7.984 -8.223) 17.962 4.898 ( 5.199 3.002 -7.156) 9.341 5.453 ( 15.282 8.823 0.827) 17.666 5.763 ( 2.090 1.207 2.039) 3.159 6.067 ( 14.733 8.506 -9.567) 19.518 7.530 ( 11.538 6.661 4.399) 14.030 8.439 ( 2.924 1.688 -0.029) 3.377 9.420 ( 2.939 1.697 0.087) 3.395 11.459 ( -37.103 -21.422 7.346) 43.469 14.039 ( 5.627 3.249 -7.135) 9.651 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 9.528 5.501 3.823) 11.647 3.921 ( 25.010 14.440 -1.777) 28.934 4.758 ( 12.308 7.106 -5.175) 15.125 4.979 ( 3.804 2.196 -4.870) 6.559 5.754 ( 10.792 6.231 -0.909) 12.495 5.803 ( 0.678 0.391 1.973) 2.122 6.222 ( 1.632 0.942 -9.272) 9.462 7.692 ( 2.931 1.692 1.501) 3.703 8.688 ( 15.165 8.755 6.209) 18.579 9.497 ( 3.460 1.998 -0.020) 3.996 10.676 ( -31.312 -18.078 4.254) 36.405 14.095 ( 1.181 0.682 -3.081) 3.369 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 5.051 2.916 2.011) 6.169 4.449 ( 20.886 12.058 -6.533) 24.986 4.983 ( 7.730 4.463 -2.730) 9.334 5.056 ( 4.246 2.451 -2.431) 5.472 5.807 ( -0.686 -0.396 1.675) 1.853 5.933 ( 3.844 2.219 -4.559) 6.362 6.126 ( -5.608 -3.238 -5.125) 8.258 7.733 ( 0.880 0.508 0.039) 1.017 9.044 ( 11.381 6.571 10.057) 16.548 9.567 ( 2.333 1.347 -0.151) 2.699 10.090 ( -19.422 -11.213 2.806) 22.601 14.100 ( 0.530 0.306 -1.939) 2.034 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( 0.893 0.515 1.457) 1.785 4.796 ( 10.818 6.246 -8.895) 15.335 5.072 ( 0.136 0.079 -1.777) 1.784 5.171 ( 5.981 3.453 -2.403) 7.312 5.724 ( -17.032 -9.834 -4.755) 20.234 5.793 ( -0.728 -0.420 1.473) 1.696 6.140 ( 5.195 2.999 -3.279) 6.836 7.738 ( -0.403 -0.233 0.020) 0.465 9.218 ( -0.146 -0.084 12.123) 12.124 9.595 ( 0.031 0.018 -0.214) 0.217 9.834 ( -2.958 -1.708 1.442) 3.708 14.132 ( 3.117 1.799 -1.771) 4.011 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.000 23.063 27.993) 36.269 1.759 ( -0.000 19.390 25.841) 32.307 2.823 ( -0.000 13.345 45.437) 47.356 3.519 ( 0.000 0.356 -15.548) 15.553 3.791 ( 0.000 19.102 -16.446) 25.206 5.494 ( 0.000 -3.515 -1.665) 3.890 5.523 ( -0.000 1.799 1.906) 2.621 6.088 ( 0.000 -5.552 -17.207) 18.080 9.344 ( 0.000 -7.369 -5.595) 9.253 9.385 ( -0.000 -1.212 0.856) 1.484 10.910 ( 0.000 69.900 -9.910) 70.599 15.031 ( 0.000 -23.748 -0.305) 23.750 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.520 25.299 21.993) 33.617 2.204 ( 7.112 14.300 30.663) 34.573 3.261 ( 17.648 23.662 20.445) 35.907 3.594 ( 11.062 2.459 -11.806) 16.365 3.991 ( 6.079 20.496 -14.857) 26.034 5.356 ( -4.579 -5.585 -8.444) 11.111 5.569 ( 1.291 3.479 1.768) 4.111 6.181 ( 10.606 10.918 -5.007) 16.024 9.185 ( -5.389 -10.935 -5.779) 13.491 9.376 ( -0.042 -1.170 0.658) 1.344 11.852 ( 32.264 48.911 -10.667) 59.557 14.579 ( -20.182 -25.623 -3.943) 32.854 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 8.584 20.195 17.648) 28.159 2.497 ( 3.972 16.999 24.906) 30.414 3.755 ( 15.175 5.058 -14.619) 21.670 4.044 ( 27.378 26.387 5.061) 38.359 4.300 ( 11.901 15.954 -8.133) 21.501 5.278 ( 2.170 2.036 -9.198) 9.667 5.645 ( 1.362 6.094 1.699) 6.471 6.541 ( 15.936 13.284 0.394) 20.750 8.920 ( -9.208 -12.145 -5.215) 16.109 9.368 ( -0.308 0.138 0.405) 0.528 12.691 ( 22.979 14.617 7.110) 28.147 13.913 ( -24.224 -14.913 -17.047) 33.163 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 9.660 14.256 13.565) 21.922 2.939 ( 10.539 24.097 14.641) 30.101 4.019 ( 13.384 8.938 -13.038) 20.712 4.593 ( 12.872 8.967 -15.486) 22.044 4.772 ( 23.505 16.565 8.830) 30.081 5.442 ( 12.749 9.918 -7.782) 17.929 5.753 ( 1.225 10.820 1.645) 11.013 6.965 ( 17.557 11.571 2.906) 21.227 8.621 ( -9.319 -10.613 -4.228) 14.744 9.379 ( 0.205 2.538 0.241) 2.557 12.655 ( -24.172 -26.307 18.799) 40.370 13.692 ( 8.435 11.475 -22.936) 26.998 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 16.651 17.298 6.833) 24.963 3.368 ( 8.659 19.508 9.924) 23.538 4.319 ( 12.998 12.713 -10.510) 21.001 4.783 ( 8.053 2.541 -9.603) 12.788 5.260 ( 16.735 9.416 3.110) 19.453 5.726 ( 8.999 4.322 -3.944) 10.733 5.968 ( 6.930 18.743 -2.816) 20.181 7.377 ( 15.973 8.525 4.449) 18.644 8.412 ( -2.294 -5.210 -2.308) 6.143 9.431 ( 1.001 5.704 0.204) 5.795 11.877 ( -34.797 -26.178 7.764) 44.231 13.907 ( 9.411 3.522 -8.355) 13.068 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 11.839 16.152 1.748) 20.102 3.693 ( 14.134 16.490 6.107) 22.561 4.640 ( 11.378 13.760 -7.028) 19.188 4.890 ( 5.942 0.837 -6.276) 8.683 5.586 ( 11.917 4.591 1.088) 12.817 5.849 ( 2.608 5.377 -1.632) 6.195 6.202 ( 2.126 10.917 -6.524) 12.895 7.648 ( 6.157 3.286 2.885) 7.552 8.500 ( 13.821 2.971 2.770) 14.405 9.526 ( 1.038 9.131 0.262) 9.193 11.054 ( -33.410 -21.859 3.679) 40.095 14.012 ( 5.156 -3.291 -2.872) 6.757 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 2.133 10.828 2.797) 11.385 4.216 ( 19.864 15.818 -2.370) 25.503 4.920 ( 7.752 11.328 -3.940) 14.281 4.979 ( 5.351 1.095 -3.302) 6.383 5.749 ( 4.270 -0.999 -0.339) 4.398 5.952 ( 3.298 7.141 -2.403) 8.224 6.211 ( -7.313 5.143 -5.613) 10.557 7.724 ( 1.122 1.131 0.537) 1.681 8.857 ( 18.062 2.988 7.718) 19.868 9.641 ( -0.513 12.320 0.455) 12.339 10.350 ( -25.964 -16.003 2.076) 30.570 14.025 ( 3.586 -6.480 -1.379) 7.533 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( -1.202 7.688 1.571) 7.938 4.630 ( 13.702 10.016 -7.625) 18.606 5.083 ( 6.439 1.615 -1.196) 6.745 5.095 ( 1.527 7.966 -1.758) 8.300 5.719 ( -3.287 -6.562 -2.215) 7.666 6.056 ( -10.912 2.576 -1.604) 11.327 6.077 ( 1.348 9.460 -3.597) 10.210 7.739 ( 0.009 0.060 -0.050) 0.078 9.144 ( 10.293 -2.702 10.310) 14.817 9.745 ( -3.881 14.948 0.564) 15.454 9.889 ( -12.430 -9.417 1.167) 15.637 14.027 ( 5.424 -6.607 -1.496) 8.678 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -0.000 25.446 19.255) 31.910 2.363 ( -0.000 20.565 25.786) 32.983 3.460 ( 0.000 3.460 -14.798) 15.197 3.470 ( -0.000 30.487 19.285) 36.074 4.109 ( 0.000 21.088 -13.753) 25.176 5.309 ( 0.000 -5.742 -9.605) 11.191 5.583 ( -0.000 3.146 1.318) 3.411 6.230 ( -0.000 19.737 -1.820) 19.821 9.088 ( 0.000 -13.996 -4.880) 14.822 9.363 ( -0.000 -1.259 0.745) 1.463 12.059 ( -0.000 45.721 -3.930) 45.890 14.463 ( 0.000 -27.378 -8.785) 28.753 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -0.144 19.329 17.698) 26.208 2.727 ( 3.532 24.630 20.574) 32.286 3.532 ( 9.638 6.639 -14.815) 18.879 3.981 ( 14.452 31.853 2.801) 35.090 4.310 ( 4.653 17.485 -5.748) 18.985 5.252 ( 0.464 2.949 -8.587) 9.092 5.662 ( 3.855 4.879 1.152) 6.324 6.507 ( 6.913 21.107 0.864) 22.227 8.885 ( -4.465 -15.178 -4.083) 16.339 9.363 ( 0.788 -0.316 0.528) 0.999 12.547 ( 13.451 16.709 9.393) 23.417 14.047 ( -14.411 -16.337 -18.520) 28.593 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 2.463 16.832 11.196) 20.365 3.136 ( 4.920 28.160 17.070) 33.295 3.801 ( 16.666 9.407 -14.624) 24.086 4.442 ( 10.245 15.257 -19.289) 26.642 4.659 ( 14.622 19.131 14.134) 27.921 5.359 ( 6.342 11.228 -7.140) 14.740 5.821 ( 5.423 10.595 1.234) 11.966 6.860 ( 10.441 17.657 2.015) 20.612 8.626 ( -6.684 -13.751 -3.277) 15.637 9.393 ( 1.519 2.367 0.303) 2.828 12.683 ( -3.876 -26.222 20.979) 33.804 13.718 ( -6.120 10.664 -25.617) 28.415 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 9.316 19.545 6.298) 22.549 3.523 ( 3.902 23.362 11.982) 26.544 4.178 ( 16.520 15.765 -11.941) 25.769 4.635 ( 8.007 4.651 -11.205) 14.536 5.118 ( 14.000 13.509 6.710) 20.579 5.593 ( 9.343 8.668 -5.896) 14.042 6.077 ( 5.880 19.390 0.124) 20.262 7.225 ( 13.094 12.593 3.073) 18.425 8.394 ( -4.569 -9.245 -2.368) 10.581 9.471 ( 2.312 6.555 0.276) 6.956 12.134 ( -24.106 -32.815 9.674) 41.851 13.790 ( 4.846 7.117 -11.099) 14.047 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( 14.883 20.773 3.258) 25.762 3.812 ( 2.483 17.962 6.809) 19.369 4.580 ( 12.404 19.190 -7.992) 24.207 4.764 ( 7.047 1.444 -6.364) 9.605 5.457 ( 10.862 8.208 3.162) 13.977 5.779 ( 7.225 3.256 -4.707) 9.217 6.342 ( 0.528 19.674 -2.370) 19.824 7.558 ( 10.874 7.316 3.701) 13.619 8.326 ( 6.055 -2.570 -0.268) 6.583 9.604 ( 2.576 11.062 0.491) 11.368 11.383 ( -29.333 -25.923 3.363) 39.290 13.869 ( 4.656 -3.923 -3.339) 6.944 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 1.742 15.535 0.826) 15.654 4.077 ( 15.179 18.063 3.165) 23.805 4.854 ( 6.547 2.479 -4.824) 8.502 4.938 ( 7.358 15.784 -3.207) 17.708 5.671 ( 5.958 3.333 0.750) 6.868 5.891 ( 5.711 0.656 -4.391) 7.234 6.453 ( -7.367 17.243 -3.017) 18.992 7.722 ( 1.865 3.222 1.209) 3.914 8.561 ( 18.981 0.048 4.574) 19.524 9.765 ( 1.442 11.901 1.079) 12.036 10.677 ( -27.782 -14.651 0.732) 31.417 13.859 ( 4.158 -10.916 -0.839) 11.711 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.137 ( -2.368 12.193 1.269) 12.485 4.496 ( 12.901 13.369 -3.506) 18.906 4.972 ( 7.121 0.982 -1.031) 7.262 5.168 ( 2.173 13.646 -1.704) 13.922 5.716 ( -1.560 -1.733 -1.838) 2.969 5.975 ( 5.389 -0.935 -3.518) 6.503 6.444 ( -12.789 18.973 -1.819) 22.953 7.747 ( -0.715 1.047 -0.281) 1.299 8.896 ( 17.386 -4.093 7.811) 19.494 9.812 ( -2.918 -6.936 1.753) 7.726 10.241 ( -19.035 15.050 -0.501) 24.271 13.815 ( 6.191 -13.863 -0.763) 15.202 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -0.000 16.915 13.532) 21.662 2.998 ( -0.000 27.918 12.424) 30.558 3.471 ( 0.000 5.998 -11.129) 12.642 4.194 ( 0.000 32.825 -8.495) 33.907 4.435 ( -0.000 16.853 4.956) 17.567 5.279 ( 0.000 9.431 -7.120) 11.817 5.661 ( -0.000 3.885 0.661) 3.941 6.701 ( -0.000 25.677 1.948) 25.751 8.754 ( 0.000 -16.136 -2.765) 16.372 9.351 ( -0.000 -0.143 0.510) 0.529 12.571 ( -0.000 -2.726 17.766) 17.974 13.980 ( 0.000 -5.082 -24.759) 25.275 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -1.222 17.784 4.348) 18.348 3.381 ( 5.601 27.677 14.459) 31.725 3.593 ( 10.868 8.579 -12.990) 18.985 4.433 ( 3.134 15.591 -15.437) 22.164 4.731 ( 6.486 22.501 13.783) 27.173 5.403 ( 1.613 15.525 -5.712) 16.621 5.779 ( 8.069 6.466 0.504) 10.353 6.983 ( 1.922 24.779 1.682) 24.910 8.562 ( -3.244 -14.292 -1.643) 14.748 9.377 ( 2.286 1.583 0.316) 2.799 12.488 ( 0.111 -30.149 19.761) 36.048 13.865 ( -5.932 10.831 -23.962) 26.957 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 4.079 20.116 0.862) 20.544 3.713 ( 3.263 16.693 8.858) 19.177 3.993 ( 19.923 20.804 -8.995) 30.177 4.564 ( 3.575 7.907 -8.161) 11.912 5.102 ( 8.334 17.163 8.206) 20.769 5.570 ( 3.082 11.689 -4.454) 12.883 6.075 ( 13.415 13.408 0.405) 18.971 7.256 ( 3.027 20.267 0.963) 20.514 8.370 ( -4.119 -9.194 -0.901) 10.115 9.471 ( 4.594 5.370 0.221) 7.071 12.096 ( -9.762 -38.621 11.450) 41.448 13.835 ( -3.884 9.860 -13.317) 17.019 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 10.234 21.753 1.070) 24.064 3.945 ( 3.973 13.909 2.897) 14.752 4.520 ( 16.779 22.519 -4.237) 28.400 4.671 ( 3.928 4.618 -4.538) 7.573 5.404 ( 7.723 11.433 4.557) 14.530 5.703 ( 3.823 5.338 -3.509) 7.445 6.446 ( 10.249 16.041 -0.380) 19.039 7.507 ( 6.183 13.812 1.468) 15.204 8.254 ( -1.309 -2.882 -0.617) 3.225 9.642 ( 5.680 9.960 0.380) 11.472 11.516 ( -17.302 -32.589 4.323) 37.150 13.804 ( -2.296 -0.681 -4.916) 5.468 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 12.981 20.856 0.689) 24.576 4.146 ( 2.847 12.919 1.810) 13.353 4.766 ( 4.416 2.563 -2.710) 5.781 4.965 ( 10.464 20.636 -2.417) 23.264 5.623 ( 5.622 6.665 2.042) 8.955 5.786 ( 4.080 0.167 -3.362) 5.289 6.704 ( 0.600 17.418 -1.457) 17.490 7.733 ( 4.306 8.603 1.577) 9.749 8.295 ( 9.380 -1.234 1.119) 9.527 9.829 ( 2.925 7.953 0.875) 8.518 10.947 ( -18.310 -15.884 0.575) 24.247 13.707 ( -0.997 -10.712 -1.042) 10.809 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.294 ( -0.186 12.936 -0.440) 12.945 4.429 ( 11.208 15.384 0.495) 19.041 4.866 ( 5.731 1.653 -0.838) 6.023 5.270 ( 3.687 16.795 -0.871) 17.217 5.723 ( 0.228 1.627 -0.388) 1.688 5.850 ( 5.861 -1.428 -3.240) 6.847 6.829 ( -7.073 20.936 -1.185) 22.130 7.801 ( -3.127 4.609 -0.881) 5.639 8.540 ( 19.023 -5.516 4.991) 20.426 9.788 ( -5.784 -12.847 1.035) 14.126 10.700 ( -11.368 19.262 -0.564) 22.373 13.567 ( 2.379 -17.972 -0.122) 18.129 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 0.000 18.757 -3.564) 19.093 3.517 ( 0.000 13.905 -15.739) 21.002 3.653 ( -0.000 21.293 15.936) 26.595 4.510 ( 0.000 11.413 -7.177) 13.482 4.949 ( -0.000 22.553 10.722) 24.972 5.565 ( 0.000 20.040 -3.896) 20.415 5.741 ( -0.000 3.739 0.026) 3.740 7.236 ( -0.000 25.826 0.432) 25.830 8.456 ( 0.000 -11.068 0.000) 11.068 9.369 ( -0.000 1.712 0.208) 1.724 12.207 ( -0.000 -37.839 16.002) 41.083 13.964 ( 0.000 12.016 -19.142) 22.601 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 0.523 19.930 -6.768) 21.054 3.700 ( 10.151 9.349 -9.563) 16.790 3.995 ( 7.696 25.681 8.836) 28.228 4.603 ( 0.480 8.695 -1.088) 8.776 5.212 ( 2.896 18.091 7.486) 19.792 5.679 ( -2.637 11.545 -2.018) 12.013 5.943 ( 13.184 9.920 0.085) 16.500 7.465 ( -0.981 20.833 -1.379) 20.901 8.361 ( -2.495 -2.871 0.888) 3.906 9.433 ( 4.557 3.851 0.098) 5.967 11.828 ( -2.791 -41.236 10.141) 42.556 13.978 ( -4.821 8.907 -12.078) 15.762 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 6.903 21.043 -3.475) 22.417 3.941 ( 9.174 9.671 -5.364) 14.369 4.460 ( 14.351 22.683 2.969) 27.005 4.692 ( 0.740 7.541 0.516) 7.594 5.446 ( 3.643 13.032 4.735) 14.336 5.737 ( -0.878 6.877 -0.957) 6.998 6.310 ( 17.252 8.711 1.066) 19.356 7.611 ( -0.179 12.829 -1.732) 12.946 8.322 ( -4.821 6.717 0.106) 8.269 9.608 ( 8.431 7.994 0.098) 11.619 11.368 ( -6.300 -38.282 4.795) 39.092 13.894 ( -7.949 2.128 -5.774) 10.052 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 11.084 20.112 0.347) 22.966 4.171 ( 7.300 10.369 -3.392) 13.126 4.749 ( 1.581 5.145 0.870) 5.452 4.953 ( 13.511 19.441 0.006) 23.675 5.625 ( 3.602 8.096 1.937) 9.070 5.768 ( -1.145 2.742 0.164) 2.976 6.693 ( 15.576 8.873 0.850) 17.946 7.740 ( 4.583 7.388 -0.065) 8.695 8.307 ( -6.364 9.126 -1.349) 11.207 9.832 ( 5.381 6.759 0.142) 8.641 10.944 ( -4.103 -24.106 1.340) 24.489 13.710 ( -9.517 -6.057 -1.754) 11.416 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.371 ( 5.414 9.377 -0.000) 10.827 4.406 ( 10.045 17.398 0.000) 20.090 4.820 ( 2.023 3.503 -0.000) 4.045 5.332 ( 9.130 15.814 -0.000) 18.260 5.747 ( 2.738 4.743 0.000) 5.477 5.756 ( -0.733 -1.270 -0.000) 1.466 7.010 ( 7.827 13.556 -0.000) 15.654 7.900 ( 3.561 6.168 -0.000) 7.122 8.288 ( 0.483 0.837 -0.000) 0.967 9.774 ( -7.962 -13.791 -0.000) 15.925 10.913 ( 7.051 12.213 -0.000) 14.102 13.442 ( -8.618 -14.926 -0.000) 17.235 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 0.000 21.352 -11.419) 24.214 3.651 ( 0.000 9.488 -8.839) 12.967 4.202 ( -0.000 22.878 8.990) 24.581 4.693 ( -0.000 8.267 3.966) 9.169 5.385 ( -0.000 16.087 6.356) 17.297 5.804 ( 0.000 2.590 -0.560) 2.650 5.913 ( -0.000 13.703 0.711) 13.721 7.636 ( 0.000 11.839 -2.814) 12.169 8.423 ( -0.000 10.247 1.013) 10.297 9.422 ( -0.000 3.392 0.001) 3.392 11.463 ( -0.000 -41.364 6.879) 41.932 14.066 ( 0.000 5.941 -8.621) 10.469 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 3.745 15.959 -4.931) 17.118 3.855 ( 8.451 14.556 -9.850) 19.502 4.508 ( 7.178 20.637 5.990) 22.656 4.780 ( -0.811 7.515 4.590) 8.843 5.554 ( 0.520 12.276 4.707) 13.158 5.822 ( -0.691 4.543 0.504) 4.623 6.122 ( 11.024 5.521 2.163) 12.518 7.698 ( -0.366 4.574 -2.233) 5.103 8.541 ( -4.483 18.971 -1.374) 19.542 9.529 ( 7.661 5.563 -0.045) 9.468 11.057 ( -2.082 -39.035 3.450) 39.243 14.031 ( -6.187 2.044 -4.735) 8.055 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 10.511 11.683 0.215) 15.717 4.128 ( 8.146 16.744 -6.783) 19.818 4.814 ( 0.425 8.766 3.576) 9.477 4.912 ( 10.286 14.525 2.255) 17.940 5.667 ( 0.652 6.344 1.749) 6.613 5.854 ( -2.451 4.949 3.029) 6.298 6.428 ( 19.219 2.300 2.214) 19.482 7.732 ( 1.539 2.213 -0.813) 2.816 8.602 ( -9.823 18.542 -3.832) 21.330 9.773 ( 9.933 7.593 -0.421) 12.510 10.675 ( 1.001 -31.472 1.228) 31.512 13.863 ( -11.922 -2.201 -1.647) 12.235 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( 0.000 7.918 -4.819) 9.270 3.966 ( 0.000 22.701 -6.634) 23.651 4.655 ( -0.000 17.568 5.136) 18.304 4.880 ( -0.000 7.074 5.105) 8.724 5.691 ( -0.000 10.899 5.560) 12.236 5.833 ( 0.000 0.725 -1.050) 1.276 6.088 ( -0.000 2.290 4.375) 4.938 7.720 ( 0.000 1.430 -1.467) 2.048 8.791 ( 0.000 22.543 -4.267) 22.943 9.497 ( -0.000 3.885 0.001) 3.885 10.707 ( 0.000 -35.631 1.295) 35.655 14.091 ( 0.000 0.689 -2.647) 2.736 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( 7.795 6.453 -2.699) 10.473 4.212 ( 3.786 21.610 -1.599) 21.998 4.884 ( 5.875 13.665 3.438) 15.266 4.947 ( -0.989 6.581 3.259) 7.410 5.738 ( -2.778 3.012 2.166) 4.634 5.924 ( 3.315 5.782 3.080) 7.342 6.166 ( 9.661 -2.959 3.658) 10.746 7.729 ( 0.293 0.947 -0.635) 1.177 8.926 ( -6.795 18.899 -6.630) 21.149 9.645 ( 11.395 5.866 -0.292) 12.820 10.361 ( -1.324 -30.381 -0.190) 30.411 14.021 ( -7.492 -0.623 -0.582) 7.540 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( 0.000 5.122 -2.312) 5.620 4.400 ( -0.000 20.984 3.636) 21.296 4.957 ( -0.000 9.853 2.642) 10.201 5.033 ( -0.000 6.059 2.346) 6.497 5.822 ( 0.000 -0.879 -1.350) 1.611 5.880 ( -0.000 2.429 6.222) 6.679 6.083 ( -0.000 -3.668 4.032) 5.451 7.734 ( 0.000 0.718 -0.316) 0.784 9.137 ( 0.000 14.597 -9.215) 17.262 9.565 ( -0.000 2.637 0.136) 2.641 10.111 ( 0.000 -22.566 -1.461) 22.613 14.087 ( -0.000 0.296 0.692) 0.752 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 0.000 28.327) 28.327 1.592 ( -0.000 0.000 28.327) 28.327 2.893 ( -0.000 0.000 55.184) 55.184 3.495 ( 0.000 -0.000 -15.673) 15.673 3.495 ( 0.000 -0.000 -15.673) 15.673 5.510 ( -0.000 0.000 1.960) 1.960 5.510 ( -0.000 0.000 1.960) 1.960 6.154 ( 0.000 -0.000 -37.118) 37.118 9.403 ( -0.000 0.000 0.813) 0.813 9.403 ( -0.000 0.000 0.813) 0.813 10.022 ( -0.000 0.000 6.534) 6.534 15.301 ( -0.000 0.000 0.257) 0.257 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 8.820 5.092 26.114) 28.030 2.038 ( 20.201 11.663 28.424) 36.770 3.077 ( 5.955 3.438 31.110) 31.861 3.537 ( 5.510 3.181 -15.601) 16.848 3.614 ( 14.400 8.314 -6.659) 17.912 5.445 ( -7.815 -4.512 -5.877) 10.769 5.530 ( 1.233 0.712 1.810) 2.303 6.018 ( 5.926 3.422 -18.487) 19.713 9.319 ( -6.549 -3.781 -3.993) 8.551 9.398 ( -0.766 -0.442 0.621) 1.080 10.867 ( 57.911 33.435 -6.015) 67.139 15.011 ( -23.781 -13.730 0.517) 27.464 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 17.004 9.817 21.475) 29.098 2.438 ( 5.230 3.020 32.387) 32.945 3.546 ( 30.975 17.883 -4.759) 36.082 3.649 ( 8.443 4.874 -15.316) 18.155 4.013 ( 18.948 10.940 5.376) 22.530 5.253 ( -3.421 -1.975 -11.062) 11.746 5.576 ( 2.264 1.307 1.616) 3.073 6.299 ( 17.992 10.388 -4.141) 21.184 9.094 ( -11.263 -6.503 -4.826) 13.872 9.377 ( -1.074 -0.620 0.371) 1.295 12.154 ( 50.636 29.235 -7.603) 58.962 14.303 ( -35.235 -20.343 -2.513) 40.763 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 19.448 11.228 17.051) 28.196 2.630 ( 6.646 3.837 21.837) 23.146 3.829 ( 11.312 6.531 -14.641) 19.621 4.262 ( 28.752 16.600 -19.918) 38.716 4.508 ( 22.147 12.786 14.437) 29.367 5.265 ( 8.003 4.621 -9.212) 13.048 5.642 ( 2.906 1.678 1.567) 3.704 6.739 ( 19.847 11.459 0.526) 22.923 8.793 ( -12.929 -7.464 -4.425) 15.571 9.360 ( -0.303 -0.175 0.175) 0.391 13.006 ( 11.345 6.550 17.925) 22.202 13.509 ( -18.608 -10.743 -23.483) 31.830 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 15.196 8.773 12.908) 21.783 3.094 ( 17.328 10.004 12.904) 23.809 4.078 ( 14.048 8.111 -12.889) 20.718 4.655 ( 12.078 6.973 -12.358) 18.634 5.057 ( 19.977 11.534 3.525) 23.335 5.584 ( 20.095 11.602 -6.385) 24.066 5.716 ( 2.938 1.696 1.662) 3.778 7.195 ( 18.742 10.821 3.175) 21.873 8.511 ( -9.104 -5.256 -3.477) 11.072 9.371 ( 1.317 0.761 0.094) 1.524 12.401 ( -40.015 -23.103 7.389) 46.792 13.739 ( 17.007 9.819 -8.673) 21.468 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 21.178 12.227 7.163) 25.482 3.477 ( 12.733 7.351 8.449) 16.957 4.387 ( 15.456 8.923 -9.431) 20.185 4.823 ( 6.468 3.735 -8.192) 11.086 5.454 ( 14.646 8.456 -0.869) 16.934 5.782 ( 2.141 1.236 1.725) 3.015 5.987 ( 13.966 8.063 -6.991) 17.576 7.570 ( 10.839 6.258 3.934) 13.119 8.437 ( 5.342 3.084 -0.402) 6.181 9.421 ( 2.914 1.682 0.067) 3.366 11.508 ( -37.897 -21.880 2.732) 43.845 13.995 ( 6.976 4.028 -1.842) 8.263 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 8.254 4.765 4.620) 10.591 3.923 ( 22.358 12.909 2.282) 25.918 4.707 ( 13.701 7.910 -5.493) 16.747 4.930 ( 5.000 2.887 -5.293) 7.833 5.734 ( 10.111 5.837 -3.317) 12.137 5.820 ( 0.641 0.370 1.606) 1.769 6.144 ( 1.956 1.129 -7.094) 7.445 7.706 ( 2.011 1.161 1.471) 2.749 8.744 ( 17.404 10.048 5.501) 20.836 9.497 ( 3.408 1.968 -0.012) 3.935 10.705 ( -31.446 -18.155 1.658) 36.348 14.079 ( 1.308 0.755 -0.248) 1.531 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.000 17.200 21.825) 27.788 1.991 ( -0.000 22.833 26.904) 35.287 3.204 ( -0.000 3.809 29.370) 29.616 3.372 ( 0.000 0.552 -14.818) 14.828 3.668 ( 0.000 18.812 -4.837) 19.424 5.452 ( 0.000 -8.922 -7.919) 11.929 5.539 ( -0.000 1.672 1.463) 2.221 5.915 ( 0.000 7.329 -17.119) 18.622 9.303 ( 0.000 -8.773 -3.038) 9.284 9.393 ( -0.000 -1.219 0.779) 1.447 10.847 ( -0.000 63.244 -4.112) 63.377 15.028 ( 0.000 -25.137 -0.293) 25.139 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 1.925 22.726 20.595) 30.730 2.493 ( 10.053 13.125 29.426) 33.752 3.312 ( 8.070 11.544 -9.290) 16.873 3.520 ( 11.058 9.861 -7.680) 16.689 3.937 ( 9.020 18.138 6.675) 21.329 5.257 ( -4.750 -5.734 -11.938) 14.070 5.584 ( 1.419 3.335 1.308) 3.853 6.130 ( 12.351 15.590 -5.237) 20.568 9.140 ( -5.704 -11.084 -3.654) 12.990 9.382 ( -0.191 -1.167 0.512) 1.289 11.774 ( 32.506 51.921 -5.959) 61.546 14.549 ( -20.822 -29.819 -2.346) 36.445 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 8.089 18.905 17.278) 26.858 2.735 ( 0.822 11.456 24.043) 26.646 3.609 ( 15.707 5.370 -15.486) 22.702 3.950 ( 21.688 25.133 -17.597) 37.573 4.360 ( 15.999 15.778 13.370) 26.147 5.186 ( 2.696 3.255 -9.674) 10.558 5.660 ( 1.468 6.055 1.294) 6.364 6.538 ( 16.957 14.992 -0.854) 22.650 8.878 ( -9.359 -11.902 -3.560) 15.554 9.371 ( -0.402 0.146 0.216) 0.479 12.745 ( 30.671 26.559 3.720) 40.742 13.783 ( -30.523 -25.661 -9.589) 41.013 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 8.259 10.509 13.049) 18.680 3.090 ( 8.136 22.735 16.610) 29.308 3.885 ( 14.345 9.488 -14.836) 22.713 4.441 ( 16.769 11.507 -14.364) 24.898 4.860 ( 18.468 14.189 7.476) 24.460 5.372 ( 13.409 10.538 -6.195) 18.145 5.767 ( 1.186 10.608 1.280) 10.750 6.986 ( 18.532 12.384 1.523) 22.341 8.586 ( -9.267 -10.194 -3.127) 14.127 9.381 ( 0.173 2.573 0.089) 2.581 12.804 ( -31.967 -30.279 10.273) 45.213 13.514 ( 17.563 16.324 -12.277) 26.938 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 15.199 14.596 8.626) 22.770 3.473 ( 6.541 18.080 11.784) 22.551 4.212 ( 14.616 13.924 -11.732) 23.348 4.692 ( 9.473 3.744 -8.814) 13.470 5.281 ( 14.913 9.978 0.706) 17.957 5.689 ( 11.566 4.006 -3.211) 12.655 5.951 ( 3.809 17.938 -0.977) 18.364 7.416 ( 16.518 8.775 3.564) 19.040 8.391 ( -1.356 -4.399 -2.087) 5.055 9.433 ( 0.988 5.790 0.102) 5.874 11.922 ( -36.209 -26.387 1.440) 44.827 13.861 ( 11.585 3.979 -1.079) 12.297 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 14.045 14.266 3.540) 20.330 3.766 ( 8.610 15.117 8.550) 19.385 4.572 ( 12.888 14.930 -7.094) 20.960 4.831 ( 6.814 1.991 -5.951) 9.263 5.584 ( 10.969 5.623 -1.536) 12.421 5.833 ( 3.856 3.179 -1.637) 5.258 6.152 ( 0.432 11.978 -4.120) 12.674 7.674 ( 5.014 2.619 2.564) 6.211 8.524 ( 16.449 4.322 2.202) 17.150 9.528 ( 0.992 9.327 0.158) 9.381 11.073 ( -33.471 -21.945 0.112) 40.024 14.003 ( 5.487 -3.440 1.037) 6.559 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -0.000 23.621 12.403) 26.679 2.614 ( -0.000 17.201 26.267) 31.398 3.336 ( 0.000 4.068 -10.009) 10.804 3.530 ( 0.000 25.138 -8.494) 26.534 4.077 ( -0.000 19.681 8.271) 21.349 5.204 ( 0.000 -4.214 -11.808) 12.538 5.594 ( -0.000 2.986 0.795) 3.090 6.214 ( -0.000 23.029 -1.303) 23.065 9.052 ( 0.000 -13.974 -2.694) 14.231 9.370 ( -0.000 -1.318 0.650) 1.469 12.036 ( -0.000 52.384 -1.074) 52.395 14.390 ( 0.000 -34.089 -6.528) 34.709 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -0.431 17.109 12.169) 21.000 2.912 ( 5.631 18.374 16.645) 25.424 3.407 ( 7.294 7.414 -9.982) 14.416 3.890 ( 10.821 29.538 -15.947) 35.269 4.371 ( 7.563 18.910 12.650) 23.975 5.166 ( 0.789 4.774 -8.784) 10.029 5.671 ( 4.054 4.725 0.577) 6.252 6.513 ( 6.795 22.645 0.484) 23.648 8.856 ( -4.682 -14.829 -2.121) 15.695 9.368 ( 0.669 -0.356 0.402) 0.858 12.637 ( 15.830 28.676 9.109) 33.998 13.887 ( -16.082 -27.164 -14.512) 34.743 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 2.866 12.428 7.017) 14.557 3.304 ( 4.493 26.765 17.305) 32.187 3.658 ( 16.404 9.354 -15.148) 24.208 4.288 ( 11.308 17.619 -12.003) 24.133 4.775 ( 12.484 17.702 9.408) 23.616 5.295 ( 6.624 12.301 -5.671) 15.079 5.830 ( 5.626 10.391 0.659) 11.834 6.874 ( 10.683 18.237 0.875) 21.154 8.602 ( -6.962 -13.221 -1.704) 15.040 9.395 ( 1.456 2.378 0.157) 2.793 12.882 ( -7.836 -31.644 19.611) 38.044 13.486 ( -1.198 16.949 -21.992) 27.791 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 9.938 16.651 5.057) 20.040 3.641 ( 2.282 19.631 12.280) 23.267 4.061 ( 17.701 18.722 -12.013) 28.428 4.548 ( 8.817 6.686 -6.370) 12.768 5.166 ( 11.968 13.396 2.648) 18.158 5.548 ( 9.556 9.029 -3.104) 13.508 6.078 ( 5.252 18.730 0.067) 19.453 7.248 ( 14.036 12.727 1.771) 19.030 8.375 ( -4.696 -8.642 -1.424) 9.938 9.473 ( 2.332 6.635 0.105) 7.034 12.195 ( -27.297 -33.293 2.572) 43.130 13.721 ( 8.738 7.830 -2.869) 12.078 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 14.404 18.725 3.860) 23.938 3.880 ( 2.310 15.179 7.083) 16.909 4.508 ( 12.927 21.266 -6.616) 25.751 4.714 ( 7.308 3.208 -3.940) 8.901 5.471 ( 9.852 8.872 -0.434) 13.266 5.744 ( 7.136 2.933 -2.332) 8.060 6.323 ( -0.446 19.497 -1.611) 19.568 7.589 ( 10.861 6.838 2.769) 13.129 8.324 ( 7.409 -1.651 -0.190) 7.593 9.608 ( 2.650 11.270 0.198) 11.579 11.396 ( -30.106 -25.774 -0.824) 39.640 13.859 ( 5.752 -4.340 1.377) 7.336 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -0.000 9.390 6.262) 11.286 3.045 ( 0.000 24.712 -4.307) 25.084 3.431 ( -0.000 8.809 4.622) 9.948 4.067 ( 0.000 30.540 -12.174) 32.877 4.547 ( -0.000 20.643 13.013) 24.402 5.210 ( 0.000 11.245 -6.880) 13.183 5.665 ( -0.000 3.742 0.081) 3.743 6.717 ( -0.000 26.011 1.435) 26.051 8.737 ( 0.000 -15.629 -0.795) 15.649 9.356 ( -0.000 -0.250 0.403) 0.474 12.752 ( -0.000 4.946 19.890) 20.496 13.746 ( 0.000 -11.607 -24.016) 26.674 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -0.208 13.151 -2.710) 13.429 3.399 ( 15.768 19.684 -12.671) 28.224 3.588 ( 0.945 15.504 13.603) 20.647 4.331 ( 3.072 19.662 -5.172) 20.561 4.844 ( 5.342 20.463 9.321) 23.112 5.353 ( 1.697 16.959 -4.170) 17.546 5.781 ( 8.251 6.361 -0.129) 10.419 6.994 ( 1.842 24.292 0.590) 24.369 8.554 ( -3.511 -13.640 0.052) 14.085 9.380 ( 2.241 1.509 0.205) 2.709 12.674 ( -1.437 -35.565 18.364) 40.052 13.647 ( -3.914 16.987 -20.674) 27.042 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 6.455 17.731 -2.415) 19.023 3.738 ( 9.363 9.206 -5.615) 14.281 3.967 ( 13.649 27.328 5.437) 31.027 4.521 ( 2.860 10.513 -0.800) 10.924 5.161 ( 6.958 16.439 3.690) 18.228 5.540 ( 2.989 12.558 -1.437) 12.988 6.078 ( 13.429 13.475 0.160) 19.025 7.259 ( 3.548 19.428 -0.463) 19.755 8.367 ( -4.578 -8.607 0.286) 9.753 9.473 ( 4.607 5.367 0.062) 7.073 12.180 ( -12.594 -40.709 5.542) 42.972 13.738 ( -0.536 12.172 -6.375) 13.751 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 11.837 20.502 -0.000) 23.674 3.960 ( 6.209 10.755 0.000) 12.418 4.498 ( 14.606 25.299 -0.000) 29.213 4.649 ( 3.243 5.617 -0.000) 6.486 5.428 ( 6.760 11.709 0.000) 13.520 5.685 ( 3.327 5.763 -0.000) 6.655 6.444 ( 9.444 16.357 -0.000) 18.887 7.514 ( 7.544 13.067 -0.000) 15.089 8.251 ( -1.512 -2.619 -0.000) 3.024 9.643 ( 5.784 10.018 -0.000) 11.568 11.537 ( -18.820 -32.597 -0.000) 37.639 13.780 ( -0.463 -0.801 -0.000) 0.925 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 0.000 15.199 -9.622) 17.988 3.368 ( 0.000 15.677 -15.314) 21.915 3.804 ( -0.000 19.529 15.418) 24.882 4.487 ( -0.000 15.231 2.223) 15.393 5.036 ( -0.000 20.419 6.880) 21.547 5.536 ( -0.000 21.788 -1.683) 21.853 5.738 ( 0.000 3.634 -0.604) 3.684 7.234 ( -0.000 24.468 -0.862) 24.483 8.463 ( -0.000 -10.390 1.409) 10.485 9.370 ( -0.000 1.611 0.120) 1.616 12.345 ( -0.000 -42.682 12.004) 44.338 13.802 ( 0.000 17.312 -13.853) 22.173 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 2.853 19.240 -8.750) 21.328 3.590 ( 11.944 12.044 -12.365) 20.991 4.098 ( 5.452 22.246 11.847) 25.787 4.623 ( -0.559 10.506 5.000) 11.649 5.267 ( 2.271 17.422 3.701) 17.955 5.671 ( -2.832 12.407 0.476) 12.736 5.945 ( 13.553 10.576 0.293) 17.194 7.445 ( -0.788 19.621 -2.589) 19.807 8.373 ( -2.831 -2.763 1.594) 4.265 9.433 ( 4.558 3.796 0.002) 5.932 11.904 ( -3.802 -43.727 5.201) 44.199 13.887 ( -3.530 11.539 -6.432) 13.674 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 0.000 22.060 -10.188) 24.299 3.562 ( 0.000 12.244 -9.287) 15.367 4.294 ( -0.000 20.141 9.867) 22.428 4.748 ( -0.000 8.572 7.149) 11.162 5.433 ( -0.000 16.196 3.571) 16.585 5.796 ( 0.000 2.535 -1.202) 2.805 5.935 ( -0.000 15.006 3.851) 15.492 7.606 ( 0.000 11.992 -3.449) 12.479 8.431 ( -0.000 8.557 0.725) 8.588 9.421 ( -0.000 3.364 -0.036) 3.364 11.509 ( 0.000 -43.199 2.443) 43.268 14.005 ( 0.000 7.820 -3.856) 8.719 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.000 0.000 23.349) 23.349 1.842 ( -0.000 0.000 23.349) 23.349 3.346 ( 0.000 -0.000 -14.960) 14.960 3.346 ( 0.000 -0.000 -14.960) 14.960 3.396 ( -0.000 0.000 49.181) 49.181 5.527 ( -0.000 0.000 1.432) 1.432 5.527 ( -0.000 0.000 1.432) 1.432 5.793 ( 0.000 -0.000 -37.396) 37.396 9.410 ( -0.000 0.000 0.622) 0.622 9.410 ( -0.000 0.000 0.622) 0.622 10.076 ( -0.000 0.000 4.675) 4.675 15.303 ( -0.000 0.000 0.196) 0.196 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 8.063 4.655 22.331) 24.194 2.285 ( 24.059 13.890 22.465) 35.727 3.195 ( -2.999 -1.732 -4.549) 5.718 3.388 ( 5.441 3.141 -15.170) 16.420 3.714 ( 12.746 7.359 25.182) 29.168 5.354 ( -10.974 -6.336 -13.132) 18.249 5.545 ( 1.224 0.707 1.246) 1.884 5.860 ( 14.582 8.419 -13.052) 21.304 9.291 ( -7.812 -4.510 -2.009) 9.241 9.403 ( -0.839 -0.484 0.351) 1.030 10.829 ( 53.055 30.631 -2.357) 61.308 15.015 ( -23.813 -13.748 0.429) 27.500 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 15.691 9.059 19.836) 26.865 2.741 ( 2.116 1.222 30.289) 30.387 3.405 ( 29.035 16.763 -20.254) 39.170 3.500 ( 8.499 4.907 -15.500) 18.345 4.135 ( 17.990 10.387 15.133) 25.701 5.144 ( -2.616 -1.511 -10.908) 11.319 5.590 ( 2.290 1.322 1.092) 2.861 6.258 ( 20.552 11.866 -4.117) 24.086 9.057 ( -11.565 -6.677 -2.938) 13.674 9.379 ( -1.130 -0.652 0.094) 1.308 12.094 ( 52.417 30.263 -5.038) 60.735 14.292 ( -37.061 -21.397 0.159) 42.795 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 17.995 10.389 17.415) 27.111 2.827 ( 3.143 1.814 18.190) 18.548 3.683 ( 11.747 6.782 -15.748) 20.784 4.093 ( 29.194 16.855 -14.253) 36.600 4.621 ( 20.236 11.683 7.814) 24.639 5.187 ( 9.403 5.429 -6.241) 12.524 5.655 ( 2.997 1.730 1.098) 3.630 6.738 ( 21.248 12.267 -0.602) 24.542 8.758 ( -12.976 -7.492 -2.880) 15.257 9.360 ( -0.313 -0.181 -0.033) 0.362 13.099 ( 34.981 20.196 -5.376) 40.748 13.378 ( -41.007 -23.676 3.185) 47.458 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 12.942 7.472 13.041) 19.834 3.225 ( 15.363 8.870 14.378) 22.835 3.947 ( 15.434 8.911 -14.404) 22.915 4.546 ( 13.838 7.989 -9.516) 18.598 5.074 ( 17.651 10.191 -0.822) 20.398 5.540 ( 19.964 11.526 -2.549) 23.192 5.730 ( 3.043 1.757 1.192) 3.710 7.220 ( 19.927 11.505 2.017) 23.098 8.482 ( -8.825 -5.095 -2.609) 10.519 9.371 ( 1.337 0.772 -0.015) 1.544 12.422 ( -40.411 -23.331 -3.315) 46.780 13.714 ( 18.222 10.520 3.647) 21.354 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.000 15.035 13.459) 20.179 2.234 ( -0.000 24.843 23.165) 33.967 3.249 ( 0.000 1.371 -9.931) 10.025 3.277 ( 0.000 1.278 -9.507) 9.593 3.794 ( -0.000 11.291 25.490) 27.879 5.333 ( 0.000 -11.614 -15.995) 19.767 5.550 ( -0.000 1.563 0.862) 1.785 5.792 ( 0.000 16.852 -7.869) 18.598 9.283 ( 0.000 -9.839 -1.334) 9.929 9.399 ( -0.000 -1.192 0.584) 1.328 10.821 ( -0.000 59.315 -1.489) 59.333 15.025 ( 0.000 -26.129 -0.299) 26.131 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 3.632 20.194 14.397) 25.065 2.763 ( 14.098 13.840 26.421) 32.991 3.180 ( 2.228 9.202 -15.667) 18.306 3.397 ( 8.234 9.848 -15.012) 19.752 4.069 ( 9.139 14.192 15.220) 22.728 5.141 ( -3.618 -4.498 -10.922) 12.353 5.593 ( 1.588 3.201 0.691) 3.640 6.089 ( 12.710 18.859 -3.069) 22.949 9.114 ( -6.116 -11.230 -1.716) 12.902 9.386 ( -0.382 -1.113 0.278) 1.209 11.734 ( 32.035 53.387 -2.611) 62.316 14.533 ( -20.587 -32.539 -1.099) 38.521 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 8.478 15.838 13.619) 22.543 2.935 ( -0.568 8.532 16.104) 18.234 3.467 ( 14.595 5.745 -13.409) 20.636 3.797 ( 22.208 25.939 -11.777) 36.121 4.468 ( 14.932 15.295 7.158) 22.541 5.108 ( 3.643 4.252 -5.431) 7.800 5.669 ( 1.629 6.013 0.724) 6.272 6.528 ( 17.423 16.393 -1.106) 23.948 8.852 ( -9.694 -11.735 -1.729) 15.319 9.372 ( -0.500 0.196 -0.002) 0.537 12.755 ( 32.287 34.443 -1.682) 47.240 13.735 ( -31.301 -33.161 -0.295) 45.602 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 8.733 7.523 9.473) 14.919 3.251 ( 6.737 22.080 16.659) 28.468 3.737 ( 14.946 9.762 -15.990) 23.966 4.338 ( 17.510 12.826 -6.331) 22.609 4.895 ( 15.604 13.635 -0.800) 20.737 5.335 ( 14.224 10.697 -1.013) 17.826 5.777 ( 1.250 10.452 0.749) 10.553 6.995 ( 19.438 13.157 0.403) 23.476 8.562 ( -9.539 -9.944 -1.686) 13.883 9.381 ( 0.167 2.626 -0.065) 2.632 12.813 ( -35.537 -27.041 -8.597) 45.475 13.496 ( 21.916 13.377 8.797) 27.141 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -0.000 20.966 -1.576) 21.025 2.858 ( -0.000 10.719 23.812) 26.113 3.292 ( -0.000 6.145 1.708) 6.378 3.365 ( 0.000 26.638 -21.853) 34.455 4.195 ( -0.000 17.593 11.429) 20.979 5.100 ( 0.000 -2.104 -8.484) 8.741 5.598 ( -0.000 2.841 0.183) 2.847 6.209 ( -0.000 24.876 0.506) 24.881 9.036 ( 0.000 -13.922 -0.701) 13.940 9.375 ( -0.000 -1.347 0.458) 1.422 12.036 ( -0.000 56.987 1.090) 56.997 14.337 ( 0.000 -39.116 -4.444) 39.367 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 3.666 15.291 -1.710) 15.817 3.010 ( 7.802 8.999 1.737) 12.036 3.374 ( 1.042 11.056 4.253) 11.891 3.767 ( 11.277 32.215 -6.419) 34.730 4.473 ( 6.897 19.162 6.330) 21.326 5.100 ( 1.416 5.861 -3.863) 7.161 5.673 ( 4.240 4.565 -0.075) 6.231 6.518 ( 6.296 23.449 0.766) 24.292 8.845 ( -4.988 -14.537 -0.166) 15.370 9.371 ( 0.540 -0.364 0.219) 0.687 12.714 ( 16.439 39.885 6.608) 43.643 13.775 ( -16.168 -38.082 -8.341) 42.205 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 5.322 9.217 -0.000) 10.643 3.428 ( 14.903 25.812 0.000) 29.805 3.545 ( 5.589 9.681 -0.000) 11.178 4.228 ( 11.161 19.331 -0.000) 22.322 4.824 ( 10.231 17.721 0.000) 20.463 5.265 ( 7.305 12.653 -0.000) 14.610 5.834 ( 5.893 10.207 -0.000) 11.786 6.878 ( 10.685 18.507 -0.000) 21.370 8.594 ( -7.416 -12.845 -0.000) 14.832 9.396 ( 1.389 2.406 -0.000) 2.778 13.003 ( -22.600 -39.144 -0.000) 45.199 13.353 ( 14.179 24.558 0.000) 28.358 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 0.000 20.838 -15.227) 25.809 2.955 ( 0.000 3.570 -7.278) 8.107 3.534 ( -0.000 12.824 14.513) 19.367 4.012 ( -0.000 33.542 1.665) 33.583 4.638 ( -0.000 21.137 4.539) 21.619 5.163 ( 0.000 12.004 -1.745) 12.131 5.663 ( 0.000 3.595 -0.524) 3.633 6.729 ( -0.000 25.636 1.134) 25.662 8.738 ( 0.000 -15.243 1.112) 15.283 9.359 ( -0.000 -0.326 0.235) 0.402 12.947 ( -0.000 17.550 20.319) 26.849 13.525 ( 0.000 -23.958 -21.373) 32.106 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.000 0.000 14.372) 14.372 2.027 ( -0.000 0.000 14.372) 14.372 3.221 ( 0.000 -0.000 -10.191) 10.191 3.221 ( 0.000 -0.000 -10.191) 10.191 3.809 ( -0.000 0.000 34.882) 34.882 5.464 ( 0.000 -0.000 -29.061) 29.061 5.537 ( -0.000 0.000 0.752) 0.752 5.537 ( -0.000 0.000 0.752) 0.752 9.415 ( -0.000 0.000 0.336) 0.336 9.415 ( -0.000 0.000 0.336) 0.336 10.110 ( -0.000 0.000 2.427) 2.427 15.304 ( -0.000 0.000 0.106) 0.106 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 8.669 5.005 14.427) 17.559 2.441 ( 27.882 16.097 7.991) 33.172 3.130 ( -4.988 -2.880 -4.043) 7.037 3.259 ( 4.601 2.656 -10.797) 12.033 3.949 ( 5.891 3.401 18.266) 19.491 5.223 ( -9.018 -5.207 -11.208) 15.299 5.553 ( 1.241 0.716 0.559) 1.538 5.776 ( 16.978 9.802 -4.990) 20.230 9.278 ( -8.634 -4.985 -0.732) 9.996 9.405 ( -0.915 -0.528 0.027) 1.057 10.816 ( 50.545 29.182 -0.699) 58.368 15.019 ( -23.624 -13.639 0.367) 27.281 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 15.960 9.215 14.237) 23.288 2.976 ( -5.903 -3.408 10.843) 12.808 3.235 ( 36.449 21.044 -6.848) 42.642 3.363 ( 7.583 4.378 -12.069) 14.910 4.237 ( 15.487 8.942 3.881) 18.300 5.070 ( -1.452 -0.838 -2.945) 3.389 5.597 ( 2.358 1.362 0.466) 2.763 6.224 ( 21.755 12.560 -2.604) 25.255 9.038 ( -11.875 -6.856 -1.120) 13.757 9.378 ( -1.162 -0.671 -0.196) 1.356 12.056 ( 51.767 29.888 -2.973) 59.850 14.304 ( -36.485 -21.065 2.386) 42.197 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.000 12.354 -0.679) 12.373 2.414 ( -0.000 29.694 12.764) 32.321 3.163 ( 0.000 -2.394 -10.293) 10.568 3.201 ( -0.000 3.252 0.638) 3.314 3.992 ( -0.000 4.944 10.537) 11.639 5.201 ( 0.000 -9.049 -7.842) 11.974 5.555 ( -0.000 1.482 0.167) 1.492 5.755 ( -0.000 19.033 -0.574) 19.042 9.276 ( 0.000 -10.253 -0.228) 10.256 9.403 ( -0.000 -1.135 0.301) 1.175 10.814 ( -0.000 57.754 -0.257) 57.755 15.022 ( 0.000 -26.827 -0.324) 26.829 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 9.508 16.468 -0.000) 19.016 2.957 ( 17.947 31.085 -0.000) 35.894 3.046 ( -3.208 -5.557 0.000) 6.417 3.308 ( 5.212 9.028 -0.000) 10.424 4.152 ( 7.296 12.637 -0.000) 14.592 5.082 ( -2.204 -3.818 -0.000) 4.408 5.597 ( 1.778 3.080 -0.000) 3.557 6.074 ( 11.800 20.438 -0.000) 23.599 9.106 ( -6.461 -11.190 -0.000) 12.921 9.387 ( -0.586 -1.015 -0.000) 1.172 11.722 ( 31.256 54.137 -0.000) 62.512 14.528 ( -19.599 -33.946 -0.000) 39.198 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 5.83e-04 2.98e-04 2.98e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -0.000 0.000 0.000) 0.000 2.099 ( -0.000 0.000 0.000) 0.000 3.169 ( -0.000 0.000 0.000) 0.000 3.169 ( -0.000 0.000 0.000) 0.000 3.995 ( -0.000 0.000 0.000) 0.000 5.306 ( -0.000 0.000 0.000) 0.000 5.541 ( -0.000 0.000 0.000) 0.000 5.541 ( -0.000 0.000 0.000) 0.000 9.416 ( -0.000 0.000 0.000) 0.000 9.416 ( -0.000 0.000 0.000) 0.000 10.122 ( -0.000 0.000 0.000) 0.000 15.305 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 684.044 684.044 3298.356 0.000 -0.000 -0.000 3/49152 20.0 525.878 525.878 1208.404 0.000 -0.000 -0.000 3/49152 30.0 222.935 222.935 284.044 0.000 -0.000 -0.000 3/49152 40.0 116.041 116.041 105.962 0.000 -0.000 -0.000 3/49152 50.0 75.570 75.570 57.077 0.000 -0.000 -0.000 3/49152 60.0 55.747 55.747 37.481 0.000 -0.000 -0.000 3/49152 70.0 44.124 44.124 27.569 0.000 -0.000 -0.000 3/49152 80.0 36.506 36.506 21.742 0.000 -0.000 -0.000 3/49152 90.0 31.137 31.137 17.947 0.000 -0.000 -0.000 3/49152 100.0 27.156 27.156 15.291 0.000 -0.000 -0.000 3/49152 110.0 24.093 24.093 13.330 0.000 -0.000 -0.000 3/49152 120.0 21.666 21.666 11.825 0.000 -0.000 -0.000 3/49152 130.0 19.696 19.696 10.635 0.000 -0.000 -0.000 3/49152 140.0 18.068 18.068 9.669 0.000 -0.000 -0.000 3/49152 150.0 16.698 16.698 8.870 0.000 -0.000 -0.000 3/49152 160.0 15.530 15.530 8.198 0.000 -0.000 -0.000 3/49152 170.0 14.522 14.522 7.625 0.000 -0.000 -0.000 3/49152 180.0 13.642 13.642 7.130 0.000 -0.000 -0.000 3/49152 190.0 12.868 12.868 6.699 0.000 -0.000 -0.000 3/49152 200.0 12.181 12.181 6.319 0.000 -0.000 -0.000 3/49152 210.0 11.566 11.566 5.981 0.000 -0.000 -0.000 3/49152 220.0 11.014 11.014 5.680 0.000 -0.000 -0.000 3/49152 230.0 10.513 10.513 5.408 0.000 -0.000 -0.000 3/49152 240.0 10.058 10.058 5.163 0.000 -0.000 -0.000 3/49152 250.0 9.642 9.642 4.940 0.000 -0.000 -0.000 3/49152 260.0 9.260 9.260 4.736 0.000 -0.000 -0.000 3/49152 270.0 8.909 8.909 4.549 0.000 -0.000 -0.000 3/49152 280.0 8.584 8.584 4.376 0.000 -0.000 -0.000 3/49152 290.0 8.282 8.282 4.217 0.000 -0.000 -0.000 3/49152 300.0 8.002 8.002 4.069 0.000 -0.000 -0.000 3/49152 310.0 7.740 7.740 3.932 0.000 -0.000 -0.000 3/49152 320.0 7.496 7.496 3.804 0.000 -0.000 -0.000 3/49152 330.0 7.266 7.266 3.684 0.000 -0.000 -0.000 3/49152 340.0 7.051 7.051 3.572 0.000 -0.000 -0.000 3/49152 350.0 6.849 6.849 3.467 0.000 -0.000 -0.000 3/49152 360.0 6.657 6.657 3.367 0.000 -0.000 -0.000 3/49152 370.0 6.477 6.477 3.274 0.000 -0.000 -0.000 3/49152 380.0 6.306 6.306 3.186 0.000 -0.000 -0.000 3/49152 390.0 6.144 6.144 3.102 0.000 -0.000 -0.000 3/49152 400.0 5.991 5.991 3.023 0.000 -0.000 -0.000 3/49152 410.0 5.845 5.845 2.948 0.000 -0.000 -0.000 3/49152 420.0 5.706 5.706 2.876 0.000 -0.000 -0.000 3/49152 430.0 5.574 5.574 2.808 0.000 -0.000 -0.000 3/49152 440.0 5.447 5.447 2.744 0.000 -0.000 -0.000 3/49152 450.0 5.327 5.327 2.682 0.000 -0.000 -0.000 3/49152 460.0 5.211 5.211 2.623 0.000 -0.000 -0.000 3/49152 470.0 5.101 5.101 2.566 0.000 -0.000 -0.000 3/49152 480.0 4.995 4.995 2.512 0.000 -0.000 -0.000 3/49152 490.0 4.894 4.894 2.461 0.000 -0.000 -0.000 3/49152 500.0 4.797 4.797 2.411 0.000 -0.000 -0.000 3/49152 510.0 4.703 4.703 2.363 0.000 -0.000 -0.000 3/49152 520.0 4.613 4.613 2.318 0.000 -0.000 -0.000 3/49152 530.0 4.527 4.527 2.274 0.000 -0.000 -0.000 3/49152 540.0 4.444 4.444 2.231 0.000 -0.000 -0.000 3/49152 550.0 4.363 4.363 2.191 0.000 -0.000 -0.000 3/49152 560.0 4.286 4.286 2.151 0.000 -0.000 -0.000 3/49152 570.0 4.211 4.211 2.113 0.000 -0.000 -0.000 3/49152 580.0 4.139 4.139 2.077 0.000 -0.000 -0.000 3/49152 590.0 4.070 4.070 2.042 0.000 -0.000 -0.000 3/49152 600.0 4.002 4.002 2.007 0.000 -0.000 -0.000 3/49152 610.0 3.937 3.937 1.975 0.000 -0.000 -0.000 3/49152 620.0 3.874 3.874 1.943 0.000 -0.000 -0.000 3/49152 630.0 3.813 3.813 1.912 0.000 -0.000 -0.000 3/49152 640.0 3.754 3.754 1.882 0.000 -0.000 -0.000 3/49152 650.0 3.697 3.697 1.853 0.000 -0.000 -0.000 3/49152 660.0 3.642 3.642 1.825 0.000 -0.000 -0.000 3/49152 670.0 3.588 3.588 1.798 0.000 -0.000 -0.000 3/49152 680.0 3.535 3.535 1.771 0.000 -0.000 -0.000 3/49152 690.0 3.485 3.485 1.746 0.000 -0.000 -0.000 3/49152 700.0 3.435 3.435 1.721 0.000 -0.000 -0.000 3/49152 710.0 3.387 3.387 1.697 0.000 -0.000 -0.000 3/49152 720.0 3.341 3.341 1.673 0.000 -0.000 -0.000 3/49152 730.0 3.295 3.295 1.650 0.000 -0.000 -0.000 3/49152 740.0 3.251 3.251 1.628 0.000 -0.000 -0.000 3/49152 750.0 3.208 3.208 1.606 0.000 -0.000 -0.000 3/49152 760.0 3.167 3.167 1.585 0.000 -0.000 -0.000 3/49152 770.0 3.126 3.126 1.565 0.000 -0.000 -0.000 3/49152 780.0 3.086 3.086 1.545 0.000 -0.000 -0.000 3/49152 790.0 3.047 3.047 1.525 0.000 -0.000 -0.000 3/49152 800.0 3.010 3.010 1.506 0.000 -0.000 -0.000 3/49152 810.0 2.973 2.973 1.488 0.000 -0.000 -0.000 3/49152 820.0 2.937 2.937 1.470 0.000 -0.000 -0.000 3/49152 830.0 2.902 2.902 1.452 0.000 -0.000 -0.000 3/49152 840.0 2.868 2.868 1.435 0.000 -0.000 -0.000 3/49152 850.0 2.834 2.834 1.418 0.000 -0.000 -0.000 3/49152 860.0 2.802 2.802 1.401 0.000 -0.000 -0.000 3/49152 870.0 2.770 2.770 1.385 0.000 -0.000 -0.000 3/49152 880.0 2.738 2.738 1.370 0.000 -0.000 -0.000 3/49152 890.0 2.708 2.708 1.354 0.000 -0.000 -0.000 3/49152 900.0 2.678 2.678 1.339 0.000 -0.000 -0.000 3/49152 910.0 2.649 2.649 1.325 0.000 -0.000 -0.000 3/49152 920.0 2.620 2.620 1.310 0.000 -0.000 -0.000 3/49152 930.0 2.593 2.593 1.296 0.000 -0.000 -0.000 3/49152 940.0 2.565 2.565 1.283 0.000 -0.000 -0.000 3/49152 950.0 2.538 2.538 1.269 0.000 -0.000 -0.000 3/49152 960.0 2.512 2.512 1.256 0.000 -0.000 -0.000 3/49152 970.0 2.487 2.487 1.243 0.000 -0.000 -0.000 3/49152 980.0 2.461 2.461 1.231 0.000 -0.000 -0.000 3/49152 990.0 2.437 2.437 1.218 0.000 -0.000 -0.000 3/49152 1000.0 2.413 2.413 1.206 0.000 -0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:14:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|