----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.493875810000000 1.885148215000000 4.535985060000000 b 1.493875810000000 -1.885148215000000 4.535985060000000 c 1.493875810000000 1.885148215000000 -4.535985060000000 Atomic positions (fractional): *1 O 0.15094026652582 0.65094026652582 0.50000000000000 15.999 2 O 0.84905973347418 0.34905973347418 0.50000000000000 15.999 *3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 *4 Li 0.69640790624628 0.69640790624628 0.00000000000000 6.941 5 Li 0.30359209375372 0.30359209375372 0.00000000000000 6.941 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.987751620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.770296430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.071970120000000 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.15094026652582 15.999 > 1 2 O 0.00000000000000 0.50000000000000 0.34905973347418 15.999 > 2 3 O 0.00000000000000 0.50000000000000 0.65094026652582 15.999 > 1 4 O 0.50000000000000 0.00000000000000 0.84905973347418 15.999 > 2 *5 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 3 6 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 3 *7 Li 0.50000000000000 0.50000000000000 0.19640790624628 6.941 > 4 8 Li 0.00000000000000 0.00000000000000 0.30359209375372 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.69640790624628 6.941 > 4 10 Li 0.50000000000000 0.50000000000000 0.80359209375372 6.941 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.951006480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.310889290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.071970120000000 Atomic positions (fractional): *1 O 0.12500000000000 0.00000000000000 0.15094026652582 15.999 > 1 2 O 0.37500000000000 0.00000000000000 0.15094026652582 15.999 > 1 3 O 0.62500000000000 0.00000000000000 0.15094026652582 15.999 > 1 4 O 0.87500000000000 0.00000000000000 0.15094026652582 15.999 > 1 5 O 0.12500000000000 0.33333333333333 0.15094026652582 15.999 > 1 6 O 0.37500000000000 0.33333333333333 0.15094026652582 15.999 > 1 7 O 0.62500000000000 0.33333333333333 0.15094026652582 15.999 > 1 8 O 0.87500000000000 0.33333333333333 0.15094026652582 15.999 > 1 9 O 0.12500000000000 0.66666666666667 0.15094026652582 15.999 > 1 10 O 0.37500000000000 0.66666666666667 0.15094026652582 15.999 > 1 11 O 0.62500000000000 0.66666666666667 0.15094026652582 15.999 > 1 12 O 0.87500000000000 0.66666666666667 0.15094026652582 15.999 > 1 13 O 0.00000000000000 0.16666666666667 0.34905973347418 15.999 > 2 14 O 0.25000000000000 0.16666666666667 0.34905973347418 15.999 > 2 15 O 0.50000000000000 0.16666666666667 0.34905973347418 15.999 > 2 16 O 0.75000000000000 0.16666666666667 0.34905973347418 15.999 > 2 17 O 0.00000000000000 0.50000000000000 0.34905973347418 15.999 > 2 18 O 0.25000000000000 0.50000000000000 0.34905973347418 15.999 > 2 19 O 0.50000000000000 0.50000000000000 0.34905973347418 15.999 > 2 20 O 0.75000000000000 0.50000000000000 0.34905973347418 15.999 > 2 21 O 0.00000000000000 0.83333333333333 0.34905973347418 15.999 > 2 22 O 0.25000000000000 0.83333333333333 0.34905973347418 15.999 > 2 23 O 0.50000000000000 0.83333333333333 0.34905973347418 15.999 > 2 24 O 0.75000000000000 0.83333333333333 0.34905973347418 15.999 > 2 25 O 0.00000000000000 0.16666666666667 0.65094026652582 15.999 > 1 26 O 0.25000000000000 0.16666666666667 0.65094026652582 15.999 > 1 27 O 0.50000000000000 0.16666666666667 0.65094026652582 15.999 > 1 28 O 0.75000000000000 0.16666666666667 0.65094026652582 15.999 > 1 29 O 0.00000000000000 0.50000000000000 0.65094026652582 15.999 > 1 30 O 0.25000000000000 0.50000000000000 0.65094026652582 15.999 > 1 31 O 0.50000000000000 0.50000000000000 0.65094026652582 15.999 > 1 32 O 0.75000000000000 0.50000000000000 0.65094026652582 15.999 > 1 33 O 0.00000000000000 0.83333333333333 0.65094026652582 15.999 > 1 34 O 0.25000000000000 0.83333333333333 0.65094026652582 15.999 > 1 35 O 0.50000000000000 0.83333333333333 0.65094026652582 15.999 > 1 36 O 0.75000000000000 0.83333333333333 0.65094026652582 15.999 > 1 37 O 0.12500000000000 0.00000000000000 0.84905973347418 15.999 > 2 38 O 0.37500000000000 0.00000000000000 0.84905973347418 15.999 > 2 39 O 0.62500000000000 0.00000000000000 0.84905973347418 15.999 > 2 40 O 0.87500000000000 0.00000000000000 0.84905973347418 15.999 > 2 41 O 0.12500000000000 0.33333333333333 0.84905973347418 15.999 > 2 42 O 0.37500000000000 0.33333333333333 0.84905973347418 15.999 > 2 43 O 0.62500000000000 0.33333333333333 0.84905973347418 15.999 > 2 44 O 0.87500000000000 0.33333333333333 0.84905973347418 15.999 > 2 45 O 0.12500000000000 0.66666666666667 0.84905973347418 15.999 > 2 46 O 0.37500000000000 0.66666666666667 0.84905973347418 15.999 > 2 47 O 0.62500000000000 0.66666666666667 0.84905973347418 15.999 > 2 48 O 0.87500000000000 0.66666666666667 0.84905973347418 15.999 > 2 *49 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 3 50 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 3 51 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 3 52 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 3 53 Pd 0.00000000000000 0.33333333333333 0.00000000000000 106.420 > 3 54 Pd 0.25000000000000 0.33333333333333 0.00000000000000 106.420 > 3 55 Pd 0.50000000000000 0.33333333333333 0.00000000000000 106.420 > 3 56 Pd 0.75000000000000 0.33333333333333 0.00000000000000 106.420 > 3 57 Pd 0.00000000000000 0.66666666666667 0.00000000000000 106.420 > 3 58 Pd 0.25000000000000 0.66666666666667 0.00000000000000 106.420 > 3 59 Pd 0.50000000000000 0.66666666666667 0.00000000000000 106.420 > 3 60 Pd 0.75000000000000 0.66666666666667 0.00000000000000 106.420 > 3 61 Pd 0.12500000000000 0.16666666666667 0.50000000000000 106.420 > 3 62 Pd 0.37500000000000 0.16666666666667 0.50000000000000 106.420 > 3 63 Pd 0.62500000000000 0.16666666666667 0.50000000000000 106.420 > 3 64 Pd 0.87500000000000 0.16666666666667 0.50000000000000 106.420 > 3 65 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 3 66 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 3 67 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 3 68 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 3 69 Pd 0.12500000000000 0.83333333333333 0.50000000000000 106.420 > 3 70 Pd 0.37500000000000 0.83333333333333 0.50000000000000 106.420 > 3 71 Pd 0.62500000000000 0.83333333333333 0.50000000000000 106.420 > 3 72 Pd 0.87500000000000 0.83333333333333 0.50000000000000 106.420 > 3 *73 Li 0.12500000000000 0.16666666666667 0.19640790624628 6.941 > 4 74 Li 0.37500000000000 0.16666666666667 0.19640790624628 6.941 > 4 75 Li 0.62500000000000 0.16666666666667 0.19640790624628 6.941 > 4 76 Li 0.87500000000000 0.16666666666667 0.19640790624628 6.941 > 4 77 Li 0.12500000000000 0.50000000000000 0.19640790624628 6.941 > 4 78 Li 0.37500000000000 0.50000000000000 0.19640790624628 6.941 > 4 79 Li 0.62500000000000 0.50000000000000 0.19640790624628 6.941 > 4 80 Li 0.87500000000000 0.50000000000000 0.19640790624628 6.941 > 4 81 Li 0.12500000000000 0.83333333333333 0.19640790624628 6.941 > 4 82 Li 0.37500000000000 0.83333333333333 0.19640790624628 6.941 > 4 83 Li 0.62500000000000 0.83333333333333 0.19640790624628 6.941 > 4 84 Li 0.87500000000000 0.83333333333333 0.19640790624628 6.941 > 4 85 Li 0.00000000000000 0.00000000000000 0.30359209375372 6.941 > 5 86 Li 0.25000000000000 0.00000000000000 0.30359209375372 6.941 > 5 87 Li 0.50000000000000 0.00000000000000 0.30359209375372 6.941 > 5 88 Li 0.75000000000000 0.00000000000000 0.30359209375372 6.941 > 5 89 Li 0.00000000000000 0.33333333333333 0.30359209375372 6.941 > 5 90 Li 0.25000000000000 0.33333333333333 0.30359209375372 6.941 > 5 91 Li 0.50000000000000 0.33333333333333 0.30359209375372 6.941 > 5 92 Li 0.75000000000000 0.33333333333333 0.30359209375372 6.941 > 5 93 Li 0.00000000000000 0.66666666666667 0.30359209375372 6.941 > 5 94 Li 0.25000000000000 0.66666666666667 0.30359209375372 6.941 > 5 95 Li 0.50000000000000 0.66666666666667 0.30359209375372 6.941 > 5 96 Li 0.75000000000000 0.66666666666667 0.30359209375372 6.941 > 5 97 Li 0.00000000000000 0.00000000000000 0.69640790624628 6.941 > 4 98 Li 0.25000000000000 0.00000000000000 0.69640790624628 6.941 > 4 99 Li 0.50000000000000 0.00000000000000 0.69640790624628 6.941 > 4 100 Li 0.75000000000000 0.00000000000000 0.69640790624628 6.941 > 4 101 Li 0.00000000000000 0.33333333333333 0.69640790624628 6.941 > 4 102 Li 0.25000000000000 0.33333333333333 0.69640790624628 6.941 > 4 103 Li 0.50000000000000 0.33333333333333 0.69640790624628 6.941 > 4 104 Li 0.75000000000000 0.33333333333333 0.69640790624628 6.941 > 4 105 Li 0.00000000000000 0.66666666666667 0.69640790624628 6.941 > 4 106 Li 0.25000000000000 0.66666666666667 0.69640790624628 6.941 > 4 107 Li 0.50000000000000 0.66666666666667 0.69640790624628 6.941 > 4 108 Li 0.75000000000000 0.66666666666667 0.69640790624628 6.941 > 4 109 Li 0.12500000000000 0.16666666666667 0.80359209375372 6.941 > 5 110 Li 0.37500000000000 0.16666666666667 0.80359209375372 6.941 > 5 111 Li 0.62500000000000 0.16666666666667 0.80359209375372 6.941 > 5 112 Li 0.87500000000000 0.16666666666667 0.80359209375372 6.941 > 5 113 Li 0.12500000000000 0.50000000000000 0.80359209375372 6.941 > 5 114 Li 0.37500000000000 0.50000000000000 0.80359209375372 6.941 > 5 115 Li 0.62500000000000 0.50000000000000 0.80359209375372 6.941 > 5 116 Li 0.87500000000000 0.50000000000000 0.80359209375372 6.941 > 5 117 Li 0.12500000000000 0.83333333333333 0.80359209375372 6.941 > 5 118 Li 0.37500000000000 0.83333333333333 0.80359209375372 6.941 > 5 119 Li 0.62500000000000 0.83333333333333 0.80359209375372 6.941 > 5 120 Li 0.87500000000000 0.83333333333333 0.80359209375372 6.941 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6069611 0.0000000 0.0000000 0.0000000 4.6317243 0.0000000 0.0000000 0.0000000 5.1880410 -------------------------- Born effective charges -------------------------- 1 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 2 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 3 Pd 3.2636354 0.0000000 0.0000000 0.0000000 -0.6896309 0.0000000 0.0000000 0.0000000 1.3756389 4 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 5 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 441 Number of blocks in projector: 443 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (441, 432), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (36, 36), data: True |-- (60, 60), data: True |-- (72, 72), data: True |-- (90, 87), data: True |-- (90, 87), data: True |-- (90, 87), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.312 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.320 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 3426/3426 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 441 Number of blocks in projector: 443 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 60 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 36 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (441, 432), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (36, 36), data: True |-- (60, 60), data: True |-- (72, 72), data: True |-- (90, 87), data: True |-- (90, 87), data: True |-- (90, 87), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:28:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.493875810000000 1.885148215000000 4.535985060000000 b 1.493875810000000 -1.885148215000000 4.535985060000000 c 1.493875810000000 1.885148215000000 -4.535985060000000 Atomic positions (fractional): 1 O 0.15094026652582 0.65094026652582 0.50000000000000 15.999 2 O 0.84905973347418 0.34905973347418 0.50000000000000 15.999 3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 4 Li 0.69640790624628 0.69640790624628 0.00000000000000 6.941 5 Li 0.30359209375372 0.30359209375372 0.00000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.951006480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.310889290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.071970120000000 Atomic positions (fractional): 1 O 0.12500000000000 0.00000000000000 0.15094026652582 15.999 > 1 2 O 0.37500000000000 0.00000000000000 0.15094026652582 15.999 > 1 3 O 0.62500000000000 0.00000000000000 0.15094026652582 15.999 > 1 4 O 0.87500000000000 0.00000000000000 0.15094026652582 15.999 > 1 5 O 0.12500000000000 0.33333333333333 0.15094026652582 15.999 > 1 6 O 0.37500000000000 0.33333333333333 0.15094026652582 15.999 > 1 7 O 0.62500000000000 0.33333333333333 0.15094026652582 15.999 > 1 8 O 0.87500000000000 0.33333333333333 0.15094026652582 15.999 > 1 9 O 0.12500000000000 0.66666666666667 0.15094026652582 15.999 > 1 10 O 0.37500000000000 0.66666666666667 0.15094026652582 15.999 > 1 11 O 0.62500000000000 0.66666666666667 0.15094026652582 15.999 > 1 12 O 0.87500000000000 0.66666666666667 0.15094026652582 15.999 > 1 13 O 0.00000000000000 0.16666666666667 0.34905973347418 15.999 > 13 14 O 0.25000000000000 0.16666666666667 0.34905973347418 15.999 > 13 15 O 0.50000000000000 0.16666666666667 0.34905973347418 15.999 > 13 16 O 0.75000000000000 0.16666666666667 0.34905973347418 15.999 > 13 17 O 0.00000000000000 0.50000000000000 0.34905973347418 15.999 > 13 18 O 0.25000000000000 0.50000000000000 0.34905973347418 15.999 > 13 19 O 0.50000000000000 0.50000000000000 0.34905973347418 15.999 > 13 20 O 0.75000000000000 0.50000000000000 0.34905973347418 15.999 > 13 21 O 0.00000000000000 0.83333333333333 0.34905973347418 15.999 > 13 22 O 0.25000000000000 0.83333333333333 0.34905973347418 15.999 > 13 23 O 0.50000000000000 0.83333333333333 0.34905973347418 15.999 > 13 24 O 0.75000000000000 0.83333333333333 0.34905973347418 15.999 > 13 25 O 0.00000000000000 0.16666666666667 0.65094026652582 15.999 > 1 26 O 0.25000000000000 0.16666666666667 0.65094026652582 15.999 > 1 27 O 0.50000000000000 0.16666666666667 0.65094026652582 15.999 > 1 28 O 0.75000000000000 0.16666666666667 0.65094026652582 15.999 > 1 29 O 0.00000000000000 0.50000000000000 0.65094026652582 15.999 > 1 30 O 0.25000000000000 0.50000000000000 0.65094026652582 15.999 > 1 31 O 0.50000000000000 0.50000000000000 0.65094026652582 15.999 > 1 32 O 0.75000000000000 0.50000000000000 0.65094026652582 15.999 > 1 33 O 0.00000000000000 0.83333333333333 0.65094026652582 15.999 > 1 34 O 0.25000000000000 0.83333333333333 0.65094026652582 15.999 > 1 35 O 0.50000000000000 0.83333333333333 0.65094026652582 15.999 > 1 36 O 0.75000000000000 0.83333333333333 0.65094026652582 15.999 > 1 37 O 0.12500000000000 0.00000000000000 0.84905973347418 15.999 > 13 38 O 0.37500000000000 0.00000000000000 0.84905973347418 15.999 > 13 39 O 0.62500000000000 0.00000000000000 0.84905973347418 15.999 > 13 40 O 0.87500000000000 0.00000000000000 0.84905973347418 15.999 > 13 41 O 0.12500000000000 0.33333333333333 0.84905973347418 15.999 > 13 42 O 0.37500000000000 0.33333333333333 0.84905973347418 15.999 > 13 43 O 0.62500000000000 0.33333333333333 0.84905973347418 15.999 > 13 44 O 0.87500000000000 0.33333333333333 0.84905973347418 15.999 > 13 45 O 0.12500000000000 0.66666666666667 0.84905973347418 15.999 > 13 46 O 0.37500000000000 0.66666666666667 0.84905973347418 15.999 > 13 47 O 0.62500000000000 0.66666666666667 0.84905973347418 15.999 > 13 48 O 0.87500000000000 0.66666666666667 0.84905973347418 15.999 > 13 49 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 49 50 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 49 51 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 49 52 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 49 53 Pd 0.00000000000000 0.33333333333333 0.00000000000000 106.420 > 49 54 Pd 0.25000000000000 0.33333333333333 0.00000000000000 106.420 > 49 55 Pd 0.50000000000000 0.33333333333333 0.00000000000000 106.420 > 49 56 Pd 0.75000000000000 0.33333333333333 0.00000000000000 106.420 > 49 57 Pd 0.00000000000000 0.66666666666667 0.00000000000000 106.420 > 49 58 Pd 0.25000000000000 0.66666666666667 0.00000000000000 106.420 > 49 59 Pd 0.50000000000000 0.66666666666667 0.00000000000000 106.420 > 49 60 Pd 0.75000000000000 0.66666666666667 0.00000000000000 106.420 > 49 61 Pd 0.12500000000000 0.16666666666667 0.50000000000000 106.420 > 49 62 Pd 0.37500000000000 0.16666666666667 0.50000000000000 106.420 > 49 63 Pd 0.62500000000000 0.16666666666667 0.50000000000000 106.420 > 49 64 Pd 0.87500000000000 0.16666666666667 0.50000000000000 106.420 > 49 65 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 49 66 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 49 67 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 49 68 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 49 69 Pd 0.12500000000000 0.83333333333333 0.50000000000000 106.420 > 49 70 Pd 0.37500000000000 0.83333333333333 0.50000000000000 106.420 > 49 71 Pd 0.62500000000000 0.83333333333333 0.50000000000000 106.420 > 49 72 Pd 0.87500000000000 0.83333333333333 0.50000000000000 106.420 > 49 73 Li 0.12500000000000 0.16666666666667 0.19640790624628 6.941 > 73 74 Li 0.37500000000000 0.16666666666667 0.19640790624628 6.941 > 73 75 Li 0.62500000000000 0.16666666666667 0.19640790624628 6.941 > 73 76 Li 0.87500000000000 0.16666666666667 0.19640790624628 6.941 > 73 77 Li 0.12500000000000 0.50000000000000 0.19640790624628 6.941 > 73 78 Li 0.37500000000000 0.50000000000000 0.19640790624628 6.941 > 73 79 Li 0.62500000000000 0.50000000000000 0.19640790624628 6.941 > 73 80 Li 0.87500000000000 0.50000000000000 0.19640790624628 6.941 > 73 81 Li 0.12500000000000 0.83333333333333 0.19640790624628 6.941 > 73 82 Li 0.37500000000000 0.83333333333333 0.19640790624628 6.941 > 73 83 Li 0.62500000000000 0.83333333333333 0.19640790624628 6.941 > 73 84 Li 0.87500000000000 0.83333333333333 0.19640790624628 6.941 > 73 85 Li 0.00000000000000 0.00000000000000 0.30359209375372 6.941 > 85 86 Li 0.25000000000000 0.00000000000000 0.30359209375372 6.941 > 85 87 Li 0.50000000000000 0.00000000000000 0.30359209375372 6.941 > 85 88 Li 0.75000000000000 0.00000000000000 0.30359209375372 6.941 > 85 89 Li 0.00000000000000 0.33333333333333 0.30359209375372 6.941 > 85 90 Li 0.25000000000000 0.33333333333333 0.30359209375372 6.941 > 85 91 Li 0.50000000000000 0.33333333333333 0.30359209375372 6.941 > 85 92 Li 0.75000000000000 0.33333333333333 0.30359209375372 6.941 > 85 93 Li 0.00000000000000 0.66666666666667 0.30359209375372 6.941 > 85 94 Li 0.25000000000000 0.66666666666667 0.30359209375372 6.941 > 85 95 Li 0.50000000000000 0.66666666666667 0.30359209375372 6.941 > 85 96 Li 0.75000000000000 0.66666666666667 0.30359209375372 6.941 > 85 97 Li 0.00000000000000 0.00000000000000 0.69640790624628 6.941 > 73 98 Li 0.25000000000000 0.00000000000000 0.69640790624628 6.941 > 73 99 Li 0.50000000000000 0.00000000000000 0.69640790624628 6.941 > 73 100 Li 0.75000000000000 0.00000000000000 0.69640790624628 6.941 > 73 101 Li 0.00000000000000 0.33333333333333 0.69640790624628 6.941 > 73 102 Li 0.25000000000000 0.33333333333333 0.69640790624628 6.941 > 73 103 Li 0.50000000000000 0.33333333333333 0.69640790624628 6.941 > 73 104 Li 0.75000000000000 0.33333333333333 0.69640790624628 6.941 > 73 105 Li 0.00000000000000 0.66666666666667 0.69640790624628 6.941 > 73 106 Li 0.25000000000000 0.66666666666667 0.69640790624628 6.941 > 73 107 Li 0.50000000000000 0.66666666666667 0.69640790624628 6.941 > 73 108 Li 0.75000000000000 0.66666666666667 0.69640790624628 6.941 > 73 109 Li 0.12500000000000 0.16666666666667 0.80359209375372 6.941 > 85 110 Li 0.37500000000000 0.16666666666667 0.80359209375372 6.941 > 85 111 Li 0.62500000000000 0.16666666666667 0.80359209375372 6.941 > 85 112 Li 0.87500000000000 0.16666666666667 0.80359209375372 6.941 > 85 113 Li 0.12500000000000 0.50000000000000 0.80359209375372 6.941 > 85 114 Li 0.37500000000000 0.50000000000000 0.80359209375372 6.941 > 85 115 Li 0.62500000000000 0.50000000000000 0.80359209375372 6.941 > 85 116 Li 0.87500000000000 0.50000000000000 0.80359209375372 6.941 > 85 117 Li 0.12500000000000 0.83333333333333 0.80359209375372 6.941 > 85 118 Li 0.37500000000000 0.83333333333333 0.80359209375372 6.941 > 85 119 Li 0.62500000000000 0.83333333333333 0.80359209375372 6.941 > 85 120 Li 0.87500000000000 0.83333333333333 0.80359209375372 6.941 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.6069611 0.0000000 0.0000000 0.0000000 4.6317243 0.0000000 0.0000000 0.0000000 5.1880410 -------------------------- Born effective charges -------------------------- 1 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 2 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 3 Pd 3.2636354 0.0000000 0.0000000 0.0000000 -0.6896309 0.0000000 0.0000000 0.0000000 1.3756389 4 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 5 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:28:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:28:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 3 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.493875810000000 1.885148215000000 4.535985060000000 b 1.493875810000000 -1.885148215000000 4.535985060000000 c 1.493875810000000 1.885148215000000 -4.535985060000000 Atomic positions (fractional): 1 O 0.15094026652582 0.65094026652582 0.50000000000000 15.999 2 O 0.84905973347418 0.34905973347418 0.50000000000000 15.999 3 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 4 Li 0.69640790624628 0.69640790624628 0.00000000000000 6.941 5 Li 0.30359209375372 0.30359209375372 0.00000000000000 6.941 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.951006480000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.310889290000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.071970120000000 Atomic positions (fractional): 1 O 0.12500000000000 0.00000000000000 0.15094026652582 15.999 > 1 2 O 0.37500000000000 0.00000000000000 0.15094026652582 15.999 > 1 3 O 0.62500000000000 0.00000000000000 0.15094026652582 15.999 > 1 4 O 0.87500000000000 0.00000000000000 0.15094026652582 15.999 > 1 5 O 0.12500000000000 0.33333333333333 0.15094026652582 15.999 > 1 6 O 0.37500000000000 0.33333333333333 0.15094026652582 15.999 > 1 7 O 0.62500000000000 0.33333333333333 0.15094026652582 15.999 > 1 8 O 0.87500000000000 0.33333333333333 0.15094026652582 15.999 > 1 9 O 0.12500000000000 0.66666666666667 0.15094026652582 15.999 > 1 10 O 0.37500000000000 0.66666666666667 0.15094026652582 15.999 > 1 11 O 0.62500000000000 0.66666666666667 0.15094026652582 15.999 > 1 12 O 0.87500000000000 0.66666666666667 0.15094026652582 15.999 > 1 13 O 0.00000000000000 0.16666666666667 0.34905973347418 15.999 > 13 14 O 0.25000000000000 0.16666666666667 0.34905973347418 15.999 > 13 15 O 0.50000000000000 0.16666666666667 0.34905973347418 15.999 > 13 16 O 0.75000000000000 0.16666666666667 0.34905973347418 15.999 > 13 17 O 0.00000000000000 0.50000000000000 0.34905973347418 15.999 > 13 18 O 0.25000000000000 0.50000000000000 0.34905973347418 15.999 > 13 19 O 0.50000000000000 0.50000000000000 0.34905973347418 15.999 > 13 20 O 0.75000000000000 0.50000000000000 0.34905973347418 15.999 > 13 21 O 0.00000000000000 0.83333333333333 0.34905973347418 15.999 > 13 22 O 0.25000000000000 0.83333333333333 0.34905973347418 15.999 > 13 23 O 0.50000000000000 0.83333333333333 0.34905973347418 15.999 > 13 24 O 0.75000000000000 0.83333333333333 0.34905973347418 15.999 > 13 25 O 0.00000000000000 0.16666666666667 0.65094026652582 15.999 > 1 26 O 0.25000000000000 0.16666666666667 0.65094026652582 15.999 > 1 27 O 0.50000000000000 0.16666666666667 0.65094026652582 15.999 > 1 28 O 0.75000000000000 0.16666666666667 0.65094026652582 15.999 > 1 29 O 0.00000000000000 0.50000000000000 0.65094026652582 15.999 > 1 30 O 0.25000000000000 0.50000000000000 0.65094026652582 15.999 > 1 31 O 0.50000000000000 0.50000000000000 0.65094026652582 15.999 > 1 32 O 0.75000000000000 0.50000000000000 0.65094026652582 15.999 > 1 33 O 0.00000000000000 0.83333333333333 0.65094026652582 15.999 > 1 34 O 0.25000000000000 0.83333333333333 0.65094026652582 15.999 > 1 35 O 0.50000000000000 0.83333333333333 0.65094026652582 15.999 > 1 36 O 0.75000000000000 0.83333333333333 0.65094026652582 15.999 > 1 37 O 0.12500000000000 0.00000000000000 0.84905973347418 15.999 > 13 38 O 0.37500000000000 0.00000000000000 0.84905973347418 15.999 > 13 39 O 0.62500000000000 0.00000000000000 0.84905973347418 15.999 > 13 40 O 0.87500000000000 0.00000000000000 0.84905973347418 15.999 > 13 41 O 0.12500000000000 0.33333333333333 0.84905973347418 15.999 > 13 42 O 0.37500000000000 0.33333333333333 0.84905973347418 15.999 > 13 43 O 0.62500000000000 0.33333333333333 0.84905973347418 15.999 > 13 44 O 0.87500000000000 0.33333333333333 0.84905973347418 15.999 > 13 45 O 0.12500000000000 0.66666666666667 0.84905973347418 15.999 > 13 46 O 0.37500000000000 0.66666666666667 0.84905973347418 15.999 > 13 47 O 0.62500000000000 0.66666666666667 0.84905973347418 15.999 > 13 48 O 0.87500000000000 0.66666666666667 0.84905973347418 15.999 > 13 49 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 49 50 Pd 0.25000000000000 0.00000000000000 0.00000000000000 106.420 > 49 51 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 49 52 Pd 0.75000000000000 0.00000000000000 0.00000000000000 106.420 > 49 53 Pd 0.00000000000000 0.33333333333333 0.00000000000000 106.420 > 49 54 Pd 0.25000000000000 0.33333333333333 0.00000000000000 106.420 > 49 55 Pd 0.50000000000000 0.33333333333333 0.00000000000000 106.420 > 49 56 Pd 0.75000000000000 0.33333333333333 0.00000000000000 106.420 > 49 57 Pd 0.00000000000000 0.66666666666667 0.00000000000000 106.420 > 49 58 Pd 0.25000000000000 0.66666666666667 0.00000000000000 106.420 > 49 59 Pd 0.50000000000000 0.66666666666667 0.00000000000000 106.420 > 49 60 Pd 0.75000000000000 0.66666666666667 0.00000000000000 106.420 > 49 61 Pd 0.12500000000000 0.16666666666667 0.50000000000000 106.420 > 49 62 Pd 0.37500000000000 0.16666666666667 0.50000000000000 106.420 > 49 63 Pd 0.62500000000000 0.16666666666667 0.50000000000000 106.420 > 49 64 Pd 0.87500000000000 0.16666666666667 0.50000000000000 106.420 > 49 65 Pd 0.12500000000000 0.50000000000000 0.50000000000000 106.420 > 49 66 Pd 0.37500000000000 0.50000000000000 0.50000000000000 106.420 > 49 67 Pd 0.62500000000000 0.50000000000000 0.50000000000000 106.420 > 49 68 Pd 0.87500000000000 0.50000000000000 0.50000000000000 106.420 > 49 69 Pd 0.12500000000000 0.83333333333333 0.50000000000000 106.420 > 49 70 Pd 0.37500000000000 0.83333333333333 0.50000000000000 106.420 > 49 71 Pd 0.62500000000000 0.83333333333333 0.50000000000000 106.420 > 49 72 Pd 0.87500000000000 0.83333333333333 0.50000000000000 106.420 > 49 73 Li 0.12500000000000 0.16666666666667 0.19640790624628 6.941 > 73 74 Li 0.37500000000000 0.16666666666667 0.19640790624628 6.941 > 73 75 Li 0.62500000000000 0.16666666666667 0.19640790624628 6.941 > 73 76 Li 0.87500000000000 0.16666666666667 0.19640790624628 6.941 > 73 77 Li 0.12500000000000 0.50000000000000 0.19640790624628 6.941 > 73 78 Li 0.37500000000000 0.50000000000000 0.19640790624628 6.941 > 73 79 Li 0.62500000000000 0.50000000000000 0.19640790624628 6.941 > 73 80 Li 0.87500000000000 0.50000000000000 0.19640790624628 6.941 > 73 81 Li 0.12500000000000 0.83333333333333 0.19640790624628 6.941 > 73 82 Li 0.37500000000000 0.83333333333333 0.19640790624628 6.941 > 73 83 Li 0.62500000000000 0.83333333333333 0.19640790624628 6.941 > 73 84 Li 0.87500000000000 0.83333333333333 0.19640790624628 6.941 > 73 85 Li 0.00000000000000 0.00000000000000 0.30359209375372 6.941 > 85 86 Li 0.25000000000000 0.00000000000000 0.30359209375372 6.941 > 85 87 Li 0.50000000000000 0.00000000000000 0.30359209375372 6.941 > 85 88 Li 0.75000000000000 0.00000000000000 0.30359209375372 6.941 > 85 89 Li 0.00000000000000 0.33333333333333 0.30359209375372 6.941 > 85 90 Li 0.25000000000000 0.33333333333333 0.30359209375372 6.941 > 85 91 Li 0.50000000000000 0.33333333333333 0.30359209375372 6.941 > 85 92 Li 0.75000000000000 0.33333333333333 0.30359209375372 6.941 > 85 93 Li 0.00000000000000 0.66666666666667 0.30359209375372 6.941 > 85 94 Li 0.25000000000000 0.66666666666667 0.30359209375372 6.941 > 85 95 Li 0.50000000000000 0.66666666666667 0.30359209375372 6.941 > 85 96 Li 0.75000000000000 0.66666666666667 0.30359209375372 6.941 > 85 97 Li 0.00000000000000 0.00000000000000 0.69640790624628 6.941 > 73 98 Li 0.25000000000000 0.00000000000000 0.69640790624628 6.941 > 73 99 Li 0.50000000000000 0.00000000000000 0.69640790624628 6.941 > 73 100 Li 0.75000000000000 0.00000000000000 0.69640790624628 6.941 > 73 101 Li 0.00000000000000 0.33333333333333 0.69640790624628 6.941 > 73 102 Li 0.25000000000000 0.33333333333333 0.69640790624628 6.941 > 73 103 Li 0.50000000000000 0.33333333333333 0.69640790624628 6.941 > 73 104 Li 0.75000000000000 0.33333333333333 0.69640790624628 6.941 > 73 105 Li 0.00000000000000 0.66666666666667 0.69640790624628 6.941 > 73 106 Li 0.25000000000000 0.66666666666667 0.69640790624628 6.941 > 73 107 Li 0.50000000000000 0.66666666666667 0.69640790624628 6.941 > 73 108 Li 0.75000000000000 0.66666666666667 0.69640790624628 6.941 > 73 109 Li 0.12500000000000 0.16666666666667 0.80359209375372 6.941 > 85 110 Li 0.37500000000000 0.16666666666667 0.80359209375372 6.941 > 85 111 Li 0.62500000000000 0.16666666666667 0.80359209375372 6.941 > 85 112 Li 0.87500000000000 0.16666666666667 0.80359209375372 6.941 > 85 113 Li 0.12500000000000 0.50000000000000 0.80359209375372 6.941 > 85 114 Li 0.37500000000000 0.50000000000000 0.80359209375372 6.941 > 85 115 Li 0.62500000000000 0.50000000000000 0.80359209375372 6.941 > 85 116 Li 0.87500000000000 0.50000000000000 0.80359209375372 6.941 > 85 117 Li 0.12500000000000 0.83333333333333 0.80359209375372 6.941 > 85 118 Li 0.37500000000000 0.83333333333333 0.80359209375372 6.941 > 85 119 Li 0.62500000000000 0.83333333333333 0.80359209375372 6.941 > 85 120 Li 0.87500000000000 0.83333333333333 0.80359209375372 6.941 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.6069611 0.0000000 0.0000000 0.0000000 4.6317243 0.0000000 0.0000000 0.0000000 5.1880410 -------------------------- Born effective charges -------------------------- 1 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 2 O -2.7630970 0.0000000 0.0000000 0.0000000 -0.7649832 0.0000000 0.0000000 0.0000000 -2.1121593 3 Pd 3.2636354 0.0000000 0.0000000 0.0000000 -0.6896309 0.0000000 0.0000000 0.0000000 1.3756389 4 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 5 Li 1.1312793 0.0000000 0.0000000 0.0000000 1.1097986 0.0000000 0.0000000 0.0000000 1.4243399 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 2652 ] Grid generation matrix: [ 0 17 17 ] [ 13 0 13 ] [ 6 6 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.12, Number of G-points: 309, Lambda: 0.27 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/441) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 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 6.699 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 16.603 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 18.628 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/441) ======================= q-point: ( 0.46 -0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -4.389 -0.164 0.272) 4.400 4.542 ( -33.662 -0.243 -0.088) 33.663 6.389 ( -42.749 -1.035 0.869) 42.770 8.543 ( -1.228 16.103 0.709) 16.165 8.972 ( 5.501 19.057 -0.583) 19.843 9.313 ( -14.745 -12.062 -1.172) 19.086 9.795 ( -14.066 -22.371 -0.966) 26.443 11.075 ( 5.638 21.840 2.270) 22.670 12.008 ( -14.135 -2.750 -1.836) 14.516 13.983 ( 8.916 -1.405 0.011) 9.027 15.093 ( 5.392 -1.826 -1.347) 5.850 15.347 ( 7.074 2.855 2.689) 8.089 16.198 ( -4.080 -1.889 -0.109) 4.497 16.754 ( -0.680 -9.015 0.372) 9.048 18.313 ( 9.091 -8.118 -2.188) 12.383 ======================= Grid point 2 (3/441) ======================= q-point: (-0.08 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 10.253 0.669 -2.902) 10.676 5.566 ( 6.307 -4.328 2.414) 8.021 5.725 ( 10.659 -12.173 6.914) 17.596 7.643 ( 15.640 2.410 -10.548) 19.018 8.271 ( -6.814 8.224 0.117) 10.681 8.955 ( 9.693 -16.135 -1.231) 18.863 9.271 ( 0.236 -21.716 5.992) 22.529 11.428 ( 16.074 5.833 -3.149) 17.387 11.819 ( 4.804 5.672 2.824) 7.952 13.513 ( -4.817 -0.851 2.886) 5.679 14.917 ( -7.670 0.072 -17.335) 18.956 16.117 ( -4.962 5.357 6.413) 9.718 17.005 ( 7.536 7.351 4.092) 11.295 17.877 ( -9.930 3.730 -4.123) 11.381 17.949 ( -14.687 -2.806 -10.272) 18.141 ======================= Grid point 3 (4/441) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 15.205 1.890 4.889) 16.083 3.482 ( 15.756 6.744 10.216) 19.952 3.746 ( 27.285 -1.754 0.361) 27.343 7.920 ( 15.879 16.798 -4.153) 23.485 8.271 ( 1.909 1.313 -0.033) 2.317 9.114 ( 15.026 -11.035 -1.531) 18.706 9.569 ( -6.585 -8.419 0.577) 10.704 10.179 ( 8.961 39.734 -7.635) 41.442 12.053 ( -9.218 -0.781 13.626) 16.470 14.522 ( -9.348 -0.605 -2.019) 9.583 15.286 ( 2.394 5.986 -0.018) 6.447 15.591 ( -1.178 -2.433 -5.615) 6.232 16.082 ( 7.928 -9.296 2.778) 12.530 17.274 ( -6.945 -12.222 0.992) 14.092 18.317 ( 1.481 -10.052 0.616) 10.179 ======================= Grid point 4 (5/441) ======================= q-point: (-0.16 -0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -22.365 -13.260 -7.465) 27.051 2.839 ( -29.820 -11.115 -11.970) 34.001 4.451 ( -50.223 -0.619 -5.954) 50.579 6.795 ( -1.608 -32.566 16.205) 36.411 8.295 ( -22.098 -6.794 12.088) 26.089 8.449 ( 10.563 4.561 -8.188) 14.122 9.934 ( -5.997 -8.242 -1.874) 10.364 10.148 ( -9.533 5.897 0.815) 11.239 11.013 ( 6.071 -4.295 -13.572) 15.476 14.116 ( 8.934 -3.748 -5.830) 11.307 15.399 ( 3.260 3.831 7.267) 8.838 16.225 ( 0.200 13.744 2.864) 14.041 16.561 ( -1.869 5.038 -8.496) 10.053 18.160 ( 3.702 14.333 3.247) 15.155 19.055 ( 3.095 6.636 12.008) 14.064 ======================= Grid point 5 (6/441) ======================= q-point: ( 0.31 -0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 0.258 -4.116 0.214) 4.130 5.904 ( -2.406 1.070 1.351) 2.960 7.327 ( -5.401 30.954 -2.305) 31.506 8.143 ( -8.471 12.315 1.878) 15.065 8.312 ( -0.372 4.773 -1.079) 4.908 10.279 ( -9.476 22.220 -2.466) 24.281 10.667 ( 4.042 -10.306 3.351) 11.566 10.810 ( -0.954 -17.242 -3.117) 17.548 11.691 ( 1.511 22.666 2.387) 22.841 13.497 ( 2.328 2.063 -1.286) 3.366 15.038 ( 2.643 -0.410 8.819) 9.216 15.363 ( 3.583 -7.766 -6.302) 10.624 16.625 ( -13.794 -3.650 -3.672) 14.734 17.244 ( 4.694 -12.964 0.799) 13.810 17.630 ( 18.801 -8.422 3.353) 20.872 ======================= Grid point 6 (7/441) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 13.692 -10.400 -0.000) 17.194 3.622 ( 44.674 -4.354 -0.000) 44.886 5.399 ( 48.704 -1.832 -0.000) 48.738 7.576 ( -11.628 -33.454 -0.000) 35.417 8.050 ( -6.130 0.852 0.000) 6.189 9.081 ( 11.578 -16.372 -0.000) 20.052 10.116 ( 9.241 10.926 -0.000) 14.310 10.419 ( 21.363 -3.514 -0.000) 21.651 10.919 ( 1.676 -14.099 -0.000) 14.198 13.956 ( -7.847 -5.686 0.000) 9.690 15.527 ( 0.457 5.021 0.000) 5.041 15.877 ( -6.693 14.965 0.000) 16.394 16.331 ( 2.196 3.852 -0.000) 4.435 17.808 ( -2.012 18.279 0.000) 18.389 19.072 ( -5.181 8.735 0.000) 10.156 ======================= Grid point 7 (8/441) ======================= q-point: ( 0.23 -0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -15.677 16.687 9.792) 24.902 2.050 ( -29.695 16.184 10.720) 35.477 2.796 ( -15.648 17.519 12.615) 26.663 7.258 ( -17.735 9.158 -5.610) 20.734 8.182 ( -2.289 22.967 -21.035) 31.228 8.800 ( 7.082 22.986 8.005) 25.349 9.367 ( -10.976 -8.950 2.111) 14.319 9.964 ( 0.587 -6.405 -7.323) 9.746 11.224 ( 8.426 5.297 30.895) 32.458 14.450 ( 6.999 8.010 7.133) 12.808 15.186 ( -9.529 -3.402 -2.858) 10.515 15.654 ( -13.732 -3.078 6.925) 15.684 16.369 ( 1.717 -7.094 -1.703) 7.495 17.913 ( 0.687 -19.391 0.795) 19.419 18.744 ( -7.075 -9.726 -1.449) 12.114 ======================= Grid point 8 (9/441) ======================= q-point: (-0.31 -0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( -3.763 1.021 0.597) 3.944 5.030 ( -29.281 -3.726 3.898) 29.773 6.953 ( -32.371 -6.839 7.393) 33.902 7.849 ( 3.661 -23.762 -14.120) 27.882 8.475 ( -0.073 -11.474 -0.199) 11.476 10.027 ( -12.547 6.733 5.284) 15.189 10.394 ( -10.020 -17.186 -9.378) 21.993 10.838 ( -4.782 19.328 -0.814) 19.928 11.197 ( -4.736 -26.692 8.305) 28.352 13.795 ( 9.201 -0.255 0.597) 9.224 14.785 ( -0.791 -6.758 0.760) 6.846 15.499 ( 4.699 7.625 4.111) 9.855 16.673 ( -5.447 8.982 -6.037) 12.115 17.150 ( -0.126 14.711 5.687) 15.773 17.911 ( 17.078 0.959 7.795) 18.798 ======================= Grid point 9 (10/441) ======================= q-point: ( 0.15 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( 9.140 1.324 -0.673) 9.260 5.000 ( 31.894 2.497 -7.316) 32.817 6.522 ( -5.240 23.864 18.606) 30.711 6.967 ( 27.684 0.405 -11.602) 30.019 8.245 ( -0.922 -0.255 -1.249) 1.573 9.091 ( 12.306 20.414 3.422) 24.080 9.951 ( -5.621 27.631 -0.346) 28.199 10.858 ( 18.973 -8.504 -3.322) 21.055 11.547 ( 8.551 -12.384 2.654) 15.281 13.715 ( -7.146 1.788 3.585) 8.193 14.756 ( -4.793 0.895 -13.682) 14.525 16.022 ( -3.982 -10.935 -5.469) 12.858 16.838 ( 5.169 -6.437 7.273) 11.002 17.796 ( -4.489 -9.776 -5.720) 12.184 18.104 ( -17.054 1.944 -12.280) 21.105 ======================= Grid point 10 (11/441) ======================= q-point: (-0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 8.351 -7.419 0.476) 11.181 2.747 ( 28.123 -8.561 -7.419) 30.319 3.440 ( 3.032 -4.633 -12.530) 13.699 7.718 ( 10.457 -16.041 3.034) 19.387 8.355 ( -3.452 -0.753 6.709) 7.583 8.817 ( 13.442 14.262 0.094) 19.598 9.657 ( -4.233 7.348 -5.171) 9.932 10.286 ( 1.477 -39.279 14.340) 41.840 11.859 ( -3.740 -0.674 -21.140) 21.479 14.742 ( -9.636 -1.045 1.466) 9.803 15.145 ( 9.395 -3.943 -0.575) 10.205 15.708 ( 0.266 0.013 -0.268) 0.378 15.921 ( 4.608 8.779 4.303) 10.808 17.290 ( -3.420 12.801 -8.299) 15.634 18.308 ( 1.047 8.333 3.063) 8.940 ======================= Grid point 11 (12/441) ======================= q-point: ( 0.07 -0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -24.594 14.198 -7.220) 29.301 3.489 ( -47.812 1.915 0.498) 47.853 5.433 ( -52.304 -2.815 -1.774) 52.410 6.305 ( 11.226 20.248 2.846) 23.326 8.389 ( 2.609 -13.322 -2.587) 13.819 8.701 ( -7.468 3.045 7.292) 10.873 9.484 ( 4.978 24.948 -2.870) 25.601 10.477 ( -11.259 -5.430 1.444) 12.583 11.031 ( -15.488 -3.657 -4.596) 16.564 13.826 ( 5.699 1.846 -2.721) 6.580 15.586 ( 0.882 -2.135 9.668) 9.940 16.342 ( 5.636 -4.185 -4.413) 8.291 16.656 ( -2.938 -8.185 -1.271) 8.788 18.330 ( 5.245 -7.071 1.150) 8.879 19.193 ( 13.906 -1.450 9.936) 17.152 ======================= Grid point 12 (13/441) ======================= q-point: (-0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 0.259 1.214 0.000) 1.242 5.922 ( 6.154 0.561 -0.000) 6.180 8.271 ( 18.934 -4.046 -0.000) 19.362 8.510 ( -10.377 -12.552 0.000) 16.286 8.768 ( 4.077 -10.928 -0.000) 11.664 9.848 ( 2.059 13.831 0.000) 13.983 10.178 ( -2.022 11.518 0.000) 11.694 11.005 ( 2.059 -8.768 -0.000) 9.006 12.516 ( 0.736 -6.953 -0.000) 6.992 13.556 ( -2.604 -0.710 0.000) 2.699 15.092 ( 0.149 2.353 0.000) 2.358 15.111 ( 0.247 -1.114 -0.000) 1.141 16.673 ( 15.330 -6.565 -0.000) 16.677 16.758 ( -1.192 6.788 0.000) 6.892 17.242 ( -20.700 10.112 0.000) 23.037 ======================= Grid point 13 (14/441) ======================= q-point: (-0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 27.134 -0.000 10.168) 28.977 2.528 ( 46.320 -0.000 3.309) 46.438 4.279 ( 62.874 -0.000 7.750) 63.350 6.367 ( -12.012 0.000 -12.763) 17.527 8.451 ( 15.766 0.000 -13.331) 20.646 8.529 ( 2.733 -0.000 8.451) 8.882 9.404 ( -11.917 -0.000 3.931) 12.549 10.386 ( 4.584 0.000 -2.241) 5.103 10.794 ( 9.983 -0.000 8.898) 13.372 13.919 ( -6.033 -0.000 5.352) 8.065 15.581 ( 3.378 0.000 -3.601) 4.938 16.482 ( -4.756 -0.000 3.461) 5.881 16.712 ( 1.356 0.000 -0.783) 1.566 18.503 ( -4.416 0.000 -0.219) 4.421 19.475 ( -11.272 0.000 -11.959) 16.434 ======================= Grid point 14 (15/441) ======================= q-point: ( 0.46 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -14.802 3.526 -5.532) 16.191 3.440 ( -10.828 7.240 10.635) 16.816 3.729 ( -34.378 0.323 -0.721) 34.387 8.200 ( -8.069 5.480 -3.136) 10.246 8.403 ( -10.660 5.036 -2.308) 12.014 8.844 ( -15.425 -11.207 -0.245) 19.068 9.401 ( 8.334 -3.888 3.956) 10.011 10.986 ( -9.175 14.080 -6.824) 18.139 11.802 ( 6.999 5.254 8.976) 12.536 14.518 ( 10.127 -2.633 -0.931) 10.505 15.396 ( -6.542 4.246 1.823) 8.009 15.632 ( 4.168 -3.583 -3.763) 6.661 15.918 ( -5.757 -3.027 -0.104) 6.505 17.006 ( 6.517 -4.129 6.836) 10.307 18.217 ( -2.586 -3.527 -4.762) 6.465 ======================= Grid point 15 (16/441) ======================= q-point: (-0.08 -0.42 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.592 ( -9.070 0.280 3.337) 9.668 5.489 ( -19.501 0.057 7.074) 20.744 5.996 ( 5.653 -14.658 -18.522) 24.287 7.466 ( -20.371 0.818 8.500) 22.088 8.223 ( 4.934 5.500 5.239) 9.058 8.905 ( -5.972 -22.217 3.749) 23.309 9.417 ( -1.035 -12.695 -9.138) 15.676 11.372 ( -16.970 5.350 2.841) 18.019 11.868 ( -3.959 6.489 -2.440) 7.983 13.569 ( 5.228 -0.596 -2.866) 5.992 14.651 ( 3.490 -1.038 10.733) 11.334 16.136 ( 2.336 6.406 4.710) 8.287 17.096 ( -7.589 5.164 -5.683) 10.796 17.733 ( 15.007 -1.362 9.334) 17.725 17.820 ( 5.867 2.666 4.876) 8.081 ======================= Grid point 16 (17/441) ======================= q-point: ( 0.38 0.29 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 4.126 -0.618 -0.193) 4.176 4.489 ( 31.188 2.585 -0.810) 31.305 6.313 ( 41.767 3.895 -3.663) 42.108 8.398 ( -3.392 20.541 8.062) 22.326 8.692 ( 5.494 14.845 1.648) 15.915 9.454 ( 14.778 -15.024 -3.229) 21.319 10.122 ( 8.427 -22.861 -2.223) 24.466 10.894 ( 7.850 29.343 8.832) 31.633 11.594 ( -0.132 13.109 -7.064) 14.892 13.967 ( -8.516 -0.752 -1.390) 8.662 14.954 ( -3.572 7.077 -0.756) 7.964 15.489 ( -5.982 -3.824 -0.407) 7.111 16.378 ( 4.013 -10.788 2.142) 11.708 16.884 ( -1.705 -11.579 -4.454) 12.523 18.171 ( -10.290 -0.763 -4.174) 11.131 ======================= Grid point 17 (18/441) ======================= q-point: (-0.16 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 -15.014 -23.718) 28.071 1.283 ( 0.000 -19.309 -20.697) 28.306 2.110 ( -0.000 -33.687 -17.560) 37.989 6.843 ( -0.000 -8.288 2.681) 8.711 7.498 ( -0.000 -32.675 35.081) 47.941 8.625 ( 0.000 -6.656 -22.275) 23.248 9.449 ( 0.000 8.060 -0.071) 8.060 10.076 ( -0.000 5.921 8.598) 10.439 11.381 ( 0.000 7.428 -46.046) 46.642 14.538 ( 0.000 8.650 -33.039) 34.153 15.041 ( -0.000 -0.562 10.891) 10.906 15.494 ( 0.000 -0.000 -12.492) 12.492 16.518 ( 0.000 5.660 -1.276) 5.802 18.254 ( 0.000 13.493 4.573) 14.247 18.803 ( 0.000 5.406 -1.877) 5.723 ======================= Grid point 18 (19/441) ======================= q-point: ( 0.30 -0.30 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -8.607 1.428 0.000) 8.724 4.517 ( -39.419 1.376 0.000) 39.443 6.322 ( -39.589 4.020 0.000) 39.792 7.993 ( 7.947 26.194 0.000) 27.373 8.024 ( 2.435 7.575 0.000) 7.957 9.711 ( -9.975 21.057 0.000) 23.300 10.116 ( -10.636 -7.068 0.000) 12.770 10.633 ( -16.048 -16.837 0.000) 23.260 11.455 ( -5.519 27.599 0.000) 28.145 13.893 ( 9.250 4.527 -0.000) 10.298 15.372 ( 4.178 -5.713 -0.000) 7.078 15.461 ( 4.556 -13.617 -0.000) 14.359 16.292 ( -0.660 -2.605 -0.000) 2.687 17.404 ( 0.372 -18.613 -0.000) 18.617 18.739 ( 10.808 -8.987 -0.000) 14.057 ======================= Grid point 19 (20/441) ======================= q-point: (-0.24 0.40 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 4.597 3.630 -0.948) 5.934 5.710 ( 17.088 0.034 -2.689) 17.298 6.582 ( 2.162 -32.779 6.031) 33.399 7.789 ( 10.264 -4.226 -7.881) 13.613 8.153 ( 6.425 -2.932 5.694) 9.072 9.582 ( 12.253 -22.681 3.591) 26.028 10.627 ( -7.270 -28.264 -3.408) 29.383 11.000 ( 12.437 15.204 0.193) 19.643 11.445 ( 7.209 6.214 -0.820) 9.553 13.538 ( -5.877 -2.212 1.506) 6.458 15.160 ( -5.455 3.398 -13.458) 14.913 15.640 ( -5.721 9.821 7.485) 13.609 16.538 ( 7.671 7.944 4.752) 12.022 17.600 ( -5.142 12.054 -1.639) 13.208 18.134 ( -19.619 3.376 -5.796) 20.734 ======================= Grid point 20 (21/441) ======================= q-point: ( 0.22 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 22.371 8.661 7.815) 25.229 2.772 ( 17.123 16.120 16.427) 28.686 3.593 ( 38.077 4.452 10.914) 39.860 7.332 ( 9.302 23.455 -16.019) 29.888 8.063 ( 19.523 17.644 -12.628) 29.188 8.719 ( -11.064 10.758 4.112) 15.971 9.714 ( 17.056 -7.166 3.867) 18.900 9.873 ( -0.282 -5.387 -2.602) 5.989 11.444 ( -14.471 10.310 19.784) 26.591 14.389 ( -9.305 5.027 4.685) 11.567 15.321 ( 2.943 -4.826 -0.933) 5.730 15.919 ( 4.308 -10.172 -1.755) 11.185 16.379 ( 3.301 -7.987 5.161) 10.066 17.889 ( -2.203 -16.865 -1.396) 17.066 18.826 ( 4.714 -11.524 -4.325) 13.181 ======================= Grid point 21 (22/441) ======================= q-point: (-0.32 -0.18 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -20.901 -2.531 -3.922) 21.416 3.504 ( -9.076 -6.764 -9.277) 14.635 4.541 ( -45.016 -1.192 -0.862) 45.040 7.807 ( -11.863 -24.116 9.127) 28.384 8.313 ( -0.426 1.092 -4.762) 4.904 9.197 ( -11.218 -24.144 5.122) 27.112 9.742 ( -4.360 -8.574 3.804) 10.344 9.957 ( -16.748 13.765 -4.154) 22.073 11.715 ( 12.872 -11.672 -11.018) 20.575 14.335 ( 8.847 -1.879 -0.327) 9.050 15.146 ( 6.712 -1.457 5.938) 9.079 15.699 ( -0.982 7.497 2.415) 7.937 16.421 ( -4.813 9.668 -5.388) 12.069 17.431 ( 5.953 15.795 3.081) 17.158 18.552 ( 0.401 9.757 4.724) 10.848 ======================= Grid point 22 (23/441) ======================= q-point: ( 0.15 -0.48 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( -0.295 -3.322 0.959) 3.470 5.752 ( -1.442 4.181 3.317) 5.528 6.254 ( -7.763 22.049 -6.234) 24.193 7.856 ( -9.563 -0.386 2.323) 9.849 8.082 ( 8.604 5.107 0.197) 10.007 9.543 ( -12.677 15.631 -2.094) 20.234 9.745 ( 7.564 32.862 0.890) 33.733 11.495 ( -7.797 -11.613 1.758) 14.098 11.688 ( 0.595 -10.520 -1.091) 10.594 13.467 ( 1.581 1.151 -2.761) 3.383 14.795 ( 5.736 1.550 11.998) 13.388 15.874 ( 3.842 -9.314 -7.372) 12.484 17.013 ( -11.053 -8.301 -6.091) 15.105 17.556 ( 12.938 -4.383 6.861) 15.286 17.761 ( 7.341 -1.969 3.210) 8.250 ======================= Grid point 23 (24/441) ======================= q-point: (-0.39 0.23 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 7.888 -1.528 0.111) 8.035 3.828 ( 34.137 -4.175 -1.882) 34.443 5.495 ( 47.115 -1.683 -0.081) 47.145 8.270 ( -2.397 -10.289 -0.553) 10.579 8.558 ( 3.111 -19.169 0.809) 19.436 9.397 ( 7.397 12.599 1.972) 14.743 9.911 ( 18.737 19.460 -0.124) 27.014 10.529 ( -1.219 -36.199 -1.067) 36.235 11.689 ( 9.141 -9.958 -0.671) 13.534 14.177 ( -10.195 -1.675 -0.193) 10.334 15.276 ( -7.093 1.444 5.836) 9.298 15.470 ( -5.814 4.318 -4.133) 8.339 16.214 ( 2.997 4.820 -1.858) 5.972 17.014 ( 0.145 17.039 -0.606) 17.050 18.594 ( -0.583 10.442 4.300) 11.307 ======================= Grid point 24 (25/441) ======================= q-point: ( 0.07 -0.07 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -34.842 9.799 0.000) 36.194 1.042 ( -18.467 31.674 0.000) 36.664 1.645 ( -60.012 19.788 0.000) 63.191 7.082 ( 0.601 9.383 0.000) 9.402 7.874 ( -27.139 -13.728 0.000) 30.413 8.258 ( -1.982 2.448 0.000) 3.150 9.590 ( -1.317 -2.152 0.000) 2.523 10.378 ( 2.480 -4.387 -0.000) 5.040 10.443 ( -0.305 5.268 0.000) 5.276 14.053 ( 2.656 4.120 -0.000) 4.902 15.317 ( -5.637 -1.227 0.000) 5.769 16.178 ( -33.107 -33.092 0.000) 46.810 16.570 ( 0.900 -2.839 -0.000) 2.978 18.530 ( 1.333 -8.177 -0.000) 8.285 19.344 ( -25.640 -28.226 0.000) 38.133 ======================= Grid point 25 (26/441) ======================= q-point: ( 0.53 -0.36 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -2.654 0.232 0.083) 2.665 5.129 ( -28.890 -2.764 0.628) 29.029 7.125 ( -37.146 -4.477 2.404) 37.492 8.772 ( 3.720 -2.117 -6.238) 7.565 8.949 ( 0.184 -5.506 1.331) 5.668 9.631 ( -10.618 3.202 -2.016) 11.272 9.739 ( -10.134 8.390 3.804) 13.696 11.186 ( 6.292 1.488 -0.936) 6.533 12.089 ( -14.584 -17.262 1.057) 22.623 13.793 ( 7.809 -1.002 0.530) 7.891 15.005 ( 0.377 -2.000 0.025) 2.036 15.279 ( 6.304 3.344 0.504) 7.154 16.358 ( -8.294 6.111 -0.742) 10.329 16.686 ( -0.527 1.543 0.681) 1.767 17.905 ( 17.644 -5.640 0.753) 18.539 ======================= Grid point 26 (27/441) ======================= q-point: (-0.01 0.34 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 19.572 -0.000 1.703) 19.646 5.093 ( 34.486 0.000 -7.154) 35.220 5.625 ( -10.299 -0.000 15.781) 18.844 7.226 ( 30.876 0.000 -11.993) 33.124 8.582 ( -0.846 0.000 -8.157) 8.201 8.648 ( 0.036 0.000 -3.341) 3.341 8.950 ( -1.877 -0.000 15.290) 15.405 11.134 ( 19.034 0.000 -3.846) 19.419 11.725 ( 10.422 -0.000 4.247) 11.254 13.612 ( -6.060 -0.000 2.434) 6.530 15.079 ( -8.202 0.000 -19.561) 21.211 16.275 ( -5.506 -0.000 4.972) 7.418 16.951 ( 6.421 -0.000 2.611) 6.932 18.088 ( -8.197 0.000 -3.216) 8.805 18.257 ( -18.525 0.000 -14.053) 23.253 ======================= Grid point 27 (28/441) ======================= q-point: ( 0.45 0.05 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 7.186 0.590 2.382) 7.594 2.944 ( 28.798 1.288 2.718) 28.954 3.639 ( -1.177 0.386 2.073) 2.415 8.007 ( 7.461 16.177 -1.882) 17.914 8.248 ( -0.169 -5.358 -0.476) 5.382 8.556 ( 13.505 -9.677 1.001) 16.644 9.609 ( -6.512 -2.893 -0.135) 7.127 10.710 ( 5.672 20.815 -6.680) 22.585 12.085 ( -4.739 -6.154 8.463) 11.487 14.708 ( -10.731 -0.233 -1.077) 10.788 15.235 ( 10.989 2.378 0.048) 11.244 15.616 ( -1.968 -0.223 -3.257) 3.812 15.823 ( 4.990 -2.260 1.551) 5.693 17.208 ( -4.566 -5.011 0.977) 6.850 18.150 ( -0.301 -4.308 1.454) 4.557 ======================= Grid point 28 (29/441) ======================= q-point: (-0.09 -0.25 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -21.776 -11.530 -11.955) 27.387 3.484 ( -43.324 -2.552 -0.280) 43.400 5.458 ( -47.210 3.411 -0.257) 47.334 6.229 ( 1.433 -21.006 5.355) 21.725 8.458 ( 5.897 12.068 -4.748) 14.246 8.525 ( -11.731 -4.458 11.013) 16.696 9.567 ( 6.172 -22.566 -6.148) 24.189 10.436 ( -10.770 4.984 2.987) 12.237 11.147 ( -12.948 3.963 -7.803) 15.628 13.895 ( 7.691 -1.757 -4.549) 9.106 15.363 ( 6.398 2.020 13.956) 15.485 16.409 ( 3.689 6.998 -2.050) 8.172 16.697 ( -3.028 4.564 -3.262) 6.375 18.296 ( 5.900 7.893 2.645) 10.203 18.945 ( 13.292 -0.249 16.123) 20.898 ======================= Grid point 29 (30/441) ======================= q-point: ( 0.37 -0.54 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 1.298 -2.422 -0.095) 2.749 5.866 ( 9.529 2.240 -0.217) 9.791 7.934 ( 6.869 22.244 -1.113) 23.307 8.377 ( 0.309 7.107 2.456) 7.526 8.588 ( -6.480 15.330 0.022) 16.644 10.230 ( 5.804 -18.495 2.473) 19.542 10.370 ( 5.161 -19.324 -4.399) 20.479 10.835 ( -5.296 15.160 0.280) 16.061 12.106 ( 7.550 24.286 0.073) 25.432 13.536 ( -2.575 1.467 -0.693) 3.043 15.026 ( 1.670 2.215 4.312) 5.127 15.202 ( -0.255 -4.334 -3.688) 5.696 16.837 ( -3.509 -6.696 3.585) 8.367 16.972 ( 0.035 -5.543 -2.724) 6.176 17.123 ( 2.961 -7.941 -1.602) 8.625 ======================= Grid point 30 (31/441) ======================= q-point: (-0.17 0.17 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 17.578 -21.969 -0.000) 28.135 2.619 ( 45.508 -5.906 -0.000) 45.890 4.292 ( 58.718 -3.789 -0.000) 58.840 7.155 ( -13.719 -29.993 -0.000) 32.982 8.231 ( -4.019 4.753 0.000) 6.225 8.605 ( 16.581 -3.601 -0.000) 16.967 9.877 ( 9.564 -13.914 -0.000) 16.884 10.200 ( 2.683 8.594 0.000) 9.003 10.687 ( 7.239 -2.986 -0.000) 7.831 13.977 ( -6.009 -5.450 0.000) 8.112 15.548 ( 5.505 3.079 -0.000) 6.308 16.279 ( -3.006 13.807 0.000) 14.131 16.377 ( 2.349 5.621 0.000) 6.092 18.200 ( -3.025 14.515 0.000) 14.827 19.325 ( -1.129 10.688 0.000) 10.748 ======================= Grid point 31 (32/441) ======================= q-point: ( 0.30 -0.13 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -23.557 12.245 -0.811) 26.562 2.821 ( -15.125 12.372 10.579) 22.220 3.558 ( -40.521 5.855 4.604) 41.199 7.812 ( -17.668 10.280 -4.309) 20.890 8.330 ( 5.176 2.811 -2.943) 6.584 9.338 ( -7.246 10.846 -5.878) 14.307 9.528 ( -4.189 7.025 4.540) 9.354 9.853 ( -2.222 7.059 -6.929) 10.138 11.304 ( 1.254 10.610 16.699) 19.824 14.473 ( 8.877 7.698 1.254) 11.816 15.286 ( -6.237 -1.531 -1.702) 6.644 15.775 ( -3.807 -4.390 0.522) 5.834 16.195 ( -0.303 -6.693 -0.224) 6.704 17.463 ( 1.995 -21.099 3.511) 21.482 18.657 ( -6.806 -11.932 -3.628) 14.208 ======================= Grid point 32 (33/441) ======================= q-point: (-0.24 -0.42 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -4.798 1.639 1.400) 5.260 5.457 ( -21.039 -3.642 4.911) 21.909 7.010 ( 4.011 -19.656 -2.319) 20.194 7.599 ( -20.148 -11.439 -6.929) 24.183 8.244 ( 2.948 -8.082 3.530) 9.299 9.902 ( -9.418 -24.418 -4.460) 26.549 10.307 ( 2.267 -20.171 4.947) 20.892 11.042 ( -15.163 2.972 -0.983) 15.483 11.356 ( -4.048 17.814 1.547) 18.334 13.616 ( 7.582 -0.611 0.793) 7.648 14.700 ( -2.888 -5.219 -1.844) 6.243 15.615 ( 1.368 9.370 8.553) 12.760 16.973 ( -8.196 7.487 -8.217) 13.811 17.411 ( 4.563 10.907 4.296) 12.579 17.604 ( 12.380 1.858 9.038) 15.440 ======================= Grid point 33 (34/441) ======================= q-point: ( 0.22 0.28 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 7.619 2.203 1.414) 8.056 4.383 ( 35.662 3.744 -2.823) 35.969 6.250 ( 40.869 2.893 -3.613) 41.131 7.275 ( -8.737 27.667 2.946) 29.163 8.252 ( 1.727 2.604 4.804) 5.731 9.339 ( 14.517 28.958 3.832) 32.619 10.146 ( 13.972 -10.763 -4.954) 18.319 10.727 ( 5.829 19.622 -3.217) 20.721 11.101 ( 2.331 -10.549 4.760) 11.805 13.923 ( -8.828 2.915 3.262) 9.852 14.868 ( -5.452 0.304 -12.419) 13.567 15.853 ( -3.412 -12.149 -2.600) 12.884 16.650 ( 1.441 -6.171 6.768) 9.272 17.605 ( -2.892 -15.320 -6.330) 16.827 18.417 ( -13.116 -1.841 -11.654) 17.642 ======================= Grid point 34 (35/441) ======================= q-point: (-0.32 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 -9.372 -8.929) 12.944 2.236 ( 0.000 -11.123 -13.436) 17.443 3.271 ( 0.000 -9.339 -17.542) 19.873 7.273 ( -0.000 -15.445 3.634) 15.867 8.247 ( -0.000 -16.710 14.822) 22.337 8.983 ( 0.000 14.661 -0.652) 14.675 9.462 ( -0.000 -31.779 9.205) 33.086 9.852 ( 0.000 3.647 -4.005) 5.417 11.902 ( 0.000 -0.144 -25.637) 25.638 14.849 ( 0.000 -4.374 -8.612) 9.659 14.907 ( -0.000 -0.761 6.452) 6.497 15.687 ( 0.000 0.178 -8.265) 8.267 16.096 ( 0.000 11.494 8.079) 14.049 17.614 ( 0.000 15.041 -4.454) 15.686 18.490 ( 0.000 10.329 -0.848) 10.364 ======================= Grid point 35 (36/441) ======================= q-point: ( 0.14 -0.31 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -18.462 9.186 -2.616) 20.787 4.435 ( -43.303 1.656 2.162) 43.388 6.061 ( -10.884 10.562 -3.596) 15.586 6.877 ( -19.605 19.168 3.967) 27.704 8.077 ( 3.106 -7.894 -4.492) 9.599 8.932 ( -3.441 11.360 2.324) 12.095 10.066 ( 0.199 33.818 1.036) 33.835 10.608 ( -16.902 -9.488 1.329) 19.428 11.200 ( -14.243 -9.136 -2.590) 17.118 13.754 ( 6.566 2.627 -1.515) 7.232 15.465 ( 4.396 -4.233 13.759) 15.052 16.080 ( 5.536 -10.336 -5.134) 12.799 16.539 ( -2.758 -8.245 -4.037) 9.585 18.034 ( 4.759 -11.659 1.824) 12.724 18.882 ( 15.543 -1.070 8.375) 17.688 ======================= Grid point 36 (37/441) ======================= q-point: (-0.40 0.40 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 1.904 2.902 -0.000) 3.471 5.698 ( 18.718 1.304 -0.000) 18.763 7.659 ( 19.701 -15.324 -0.000) 24.959 8.315 ( 0.903 -14.146 -0.000) 14.175 8.354 ( 5.466 -16.119 -0.000) 17.020 10.140 ( 8.386 20.017 0.000) 21.703 10.544 ( -0.165 18.411 0.000) 18.412 10.598 ( 5.302 -22.002 -0.000) 22.632 12.195 ( 3.491 -20.504 -0.000) 20.799 13.622 ( -6.732 -2.138 0.000) 7.063 15.120 ( -2.003 1.995 0.000) 2.827 15.186 ( 0.155 7.437 0.000) 7.439 16.367 ( 7.171 -1.364 -0.000) 7.299 17.025 ( -1.849 14.730 0.000) 14.846 17.880 ( -21.304 10.195 0.000) 23.618 ======================= Grid point 37 (38/441) ======================= q-point: ( 0.06 0.10 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 21.721 24.218 8.030) 33.508 1.742 ( 36.829 7.378 12.054) 39.447 3.077 ( 62.028 5.671 14.465) 63.944 6.717 ( -6.279 15.898 -21.858) 27.748 8.042 ( 25.653 -0.912 -20.874) 33.086 8.475 ( -1.998 -1.570 15.417) 15.625 9.639 ( -0.700 3.543 2.942) 4.658 10.249 ( 2.836 -6.038 -5.086) 8.388 10.784 ( -9.588 2.237 22.287) 24.365 14.080 ( -8.044 2.543 9.342) 12.587 15.469 ( 5.719 -1.781 1.346) 6.140 16.514 ( 6.336 -14.609 1.883) 16.034 16.536 ( -3.781 -3.967 1.145) 5.599 18.489 ( -2.587 -8.368 -0.316) 8.764 19.467 ( 3.255 -13.308 -11.955) 18.183 ======================= Grid point 38 (39/441) ======================= q-point: (-0.48 -0.19 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -16.445 0.777 -4.895) 17.175 3.645 ( -8.014 2.051 3.877) 9.136 4.595 ( -46.016 -0.255 -1.121) 46.031 8.393 ( -10.954 -0.992 -4.581) 11.915 8.636 ( -17.434 -16.919 1.070) 24.318 9.030 ( -1.456 4.576 5.801) 7.531 9.333 ( -2.699 14.094 -3.105) 14.682 11.059 ( -15.016 -28.097 2.169) 31.932 11.847 ( 11.678 13.740 -2.981) 18.277 14.290 ( 9.145 -0.459 0.787) 9.190 15.375 ( 8.784 -5.766 -0.100) 10.508 15.558 ( -3.810 -1.474 1.839) 4.480 16.039 ( -3.565 7.040 -1.442) 8.022 16.890 ( 7.321 5.986 4.114) 10.313 18.256 ( -2.372 1.455 -2.383) 3.663 ======================= Grid point 39 (40/441) ======================= q-point: (-0.01 -0.49 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -3.998 -0.000 2.372) 4.648 5.706 ( 3.926 0.000 -8.876) 9.706 5.793 ( -7.647 -0.000 3.433) 8.382 7.752 ( -8.032 -0.000 3.970) 8.960 8.398 ( -0.630 -0.000 4.126) 4.174 8.462 ( 4.066 0.000 -0.743) 4.134 9.405 ( -3.671 0.000 -4.023) 5.446 11.694 ( -8.632 -0.000 1.620) 8.783 11.961 ( 0.739 0.000 -1.571) 1.736 13.488 ( 2.199 0.000 -1.075) 2.447 14.592 ( 1.211 -0.000 3.980) 4.160 16.181 ( 0.413 -0.000 1.678) 1.728 17.274 ( -4.013 0.000 -2.482) 4.718 17.526 ( 5.141 -0.000 3.284) 6.100 17.720 ( 4.280 -0.000 2.587) 5.001 ======================= Grid point 40 (41/441) ======================= q-point: ( 0.45 0.22 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 8.981 -0.361 0.835) 9.027 3.956 ( 24.020 -0.204 -0.557) 24.028 5.502 ( 45.624 1.345 -0.534) 45.647 8.624 ( 11.859 3.823 4.835) 13.365 8.924 ( -1.901 13.086 -0.922) 13.255 9.012 ( 12.847 2.131 -1.663) 13.128 9.477 ( 9.037 -20.746 -0.268) 22.631 11.331 ( 8.944 26.603 2.308) 28.161 11.659 ( -3.697 -10.972 -1.694) 11.701 14.119 ( -8.267 0.347 -0.717) 8.306 15.192 ( -8.877 3.572 0.206) 9.571 15.560 ( -3.535 0.190 -1.315) 3.776 16.111 ( 3.992 -6.084 0.937) 7.337 16.774 ( -4.208 -4.565 -3.168) 6.970 18.279 ( -1.096 0.838 0.474) 1.459 ======================= Grid point 41 (42/441) ======================= q-point: (-0.09 -0.07 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -22.146 -14.332 -15.066) 30.378 1.201 ( -18.422 -24.977 -18.515) 36.138 1.924 ( -51.242 -14.512 -27.401) 59.893 6.794 ( 1.386 -13.421 26.836) 30.037 7.418 ( -37.864 -1.323 29.662) 48.117 8.510 ( 1.408 -2.303 -21.926) 22.092 9.610 ( -2.839 3.010 -0.782) 4.211 10.234 ( 1.018 8.350 5.717) 10.171 11.181 ( 30.862 3.165 -40.820) 51.271 14.314 ( 19.272 0.642 -20.827) 28.383 15.360 ( -4.851 3.027 -5.666) 8.049 16.247 ( -26.144 30.672 -6.124) 40.765 16.593 ( 1.885 3.278 -2.906) 4.769 18.515 ( -0.444 9.516 1.758) 9.687 19.219 ( -22.430 17.283 10.818) 30.312 ======================= Grid point 42 (43/441) ======================= q-point: ( 0.37 -0.37 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -4.147 -1.825 0.000) 4.531 5.208 ( -30.366 -1.188 0.000) 30.389 7.130 ( -33.422 4.647 0.000) 33.744 8.268 ( -2.996 15.042 0.000) 15.337 8.361 ( 5.388 23.117 0.000) 23.737 9.929 ( -12.786 -17.524 0.000) 21.693 10.472 ( -7.587 -20.371 -0.000) 21.738 10.515 ( -2.884 25.972 0.000) 26.131 12.081 ( -7.754 18.412 0.000) 19.978 13.781 ( 9.110 2.488 -0.000) 9.444 15.180 ( 0.331 -8.915 -0.000) 8.921 15.187 ( 4.659 -2.287 -0.000) 5.190 16.279 ( -2.518 -0.512 0.000) 2.570 17.044 ( 0.093 -15.961 -0.000) 15.962 18.268 ( 17.365 -9.951 -0.000) 20.014 ======================= Grid point 43 (44/441) ======================= q-point: (-0.17 0.34 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 15.280 -2.661 -0.033) 15.510 5.205 ( 33.687 -0.367 -3.108) 33.832 6.004 ( -7.463 -26.449 7.833) 28.577 7.431 ( 26.713 -1.590 -11.779) 29.238 8.057 ( 1.620 5.555 9.315) 10.965 8.998 ( 5.008 -14.972 0.602) 15.799 10.025 ( -3.853 -36.637 -1.851) 36.885 10.961 ( 18.065 10.882 -1.825) 21.168 11.458 ( 11.329 9.475 1.737) 14.871 13.623 ( -6.717 -1.932 1.178) 7.088 15.359 ( -6.231 3.848 -16.249) 17.823 15.958 ( -6.854 8.382 8.101) 13.523 16.610 ( 4.813 10.174 3.785) 11.875 17.931 ( -5.724 9.811 -1.873) 11.512 18.538 ( -18.904 -0.574 -7.751) 20.439 ======================= Grid point 44 (45/441) ======================= q-point: ( 0.29 0.04 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 9.480 9.344 7.010) 15.044 2.551 ( 27.772 10.593 12.446) 32.224 3.319 ( 6.131 7.650 15.298) 18.169 7.405 ( 12.393 14.492 -4.986) 19.709 8.251 ( 0.487 12.151 -11.264) 16.577 9.063 ( 7.435 -6.048 -2.308) 9.859 9.491 ( 2.919 29.110 -6.533) 29.977 9.805 ( -3.893 -5.891 2.689) 7.555 11.818 ( -7.577 3.276 24.033) 25.412 14.674 ( -9.241 4.808 1.525) 10.528 15.106 ( 10.378 -0.707 0.147) 10.403 15.724 ( 2.916 -1.741 3.829) 5.118 16.122 ( 2.885 -10.483 -4.412) 11.733 17.593 ( -2.129 -15.942 4.222) 16.628 18.511 ( 2.289 -11.022 -0.480) 11.268 ======================= Grid point 45 (46/441) ======================= q-point: (-0.25 -0.25 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -12.731 -4.100 -3.722) 13.883 3.725 ( -28.662 -5.864 -3.891) 29.513 5.402 ( -44.627 -1.558 2.189) 44.708 7.352 ( -1.960 -32.178 6.379) 32.863 8.275 ( 5.028 2.027 -7.778) 9.481 8.982 ( -21.645 -27.760 1.767) 35.246 9.921 ( -8.058 10.345 4.655) 13.914 10.498 ( -15.895 -0.777 -1.105) 15.953 11.196 ( 10.231 -8.209 -8.787) 15.789 14.099 ( 9.046 -3.435 -3.375) 10.248 15.002 ( 8.000 1.436 12.030) 14.518 15.901 ( 1.203 11.903 2.256) 12.174 16.632 ( -0.798 6.186 -7.238) 9.554 17.671 ( 3.816 16.100 6.729) 17.862 18.625 ( 7.973 4.500 10.211) 13.714 ======================= Grid point 46 (47/441) ======================= q-point: ( 0.21 0.45 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 3.163 -3.278 -0.818) 4.628 5.754 ( 9.117 3.379 -0.737) 9.751 6.892 ( -6.282 25.386 0.980) 26.170 7.927 ( 10.385 8.167 2.187) 13.391 8.177 ( -2.728 7.934 -1.853) 8.592 10.008 ( -0.403 19.112 2.429) 19.270 10.304 ( 3.399 27.388 -3.685) 27.843 11.251 ( 4.084 -13.567 2.149) 14.330 11.423 ( 3.696 -9.791 -1.420) 10.561 13.506 ( -3.240 1.038 -1.806) 3.852 14.764 ( 3.441 4.137 6.162) 8.181 15.617 ( 1.494 -9.953 -7.311) 12.440 17.083 ( -6.114 -8.419 1.173) 10.471 17.255 ( 2.000 -4.308 -0.206) 4.754 17.550 ( 3.194 -7.782 -2.497) 8.774 ======================= Grid point 47 (48/441) ======================= q-point: (-0.33 0.16 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 23.143 -6.768 4.066) 24.453 3.107 ( 20.351 -9.819 -10.513) 24.922 4.481 ( 49.780 -3.681 -1.490) 49.938 8.092 ( 8.967 -15.095 5.065) 18.273 8.226 ( -5.586 -2.546 -0.773) 6.187 9.342 ( 1.344 -21.547 2.255) 21.707 9.842 ( 20.823 12.663 -1.661) 24.427 9.901 ( 2.686 -10.041 3.747) 11.049 11.309 ( 1.699 -15.214 -8.391) 17.457 14.289 ( -9.702 -6.687 -1.353) 11.860 15.363 ( 1.264 2.254 4.392) 5.096 15.749 ( -5.215 9.163 0.465) 10.553 16.241 ( 3.602 4.623 -3.596) 6.876 17.426 ( -1.607 21.040 -1.320) 21.142 18.782 ( 4.788 12.366 4.913) 14.141 ======================= Grid point 48 (49/441) ======================= q-point: ( 0.14 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -38.687 10.055 0.000) 39.972 1.980 ( -16.362 25.571 0.000) 30.358 3.126 ( -57.978 10.897 0.000) 58.993 7.358 ( 4.968 22.701 0.000) 23.238 8.242 ( -18.871 5.145 0.000) 19.560 8.294 ( 2.334 -0.196 -0.000) 2.342 9.675 ( -10.079 1.132 0.000) 10.142 10.201 ( 2.195 -7.657 -0.000) 7.966 10.605 ( -1.468 8.943 0.000) 9.063 14.090 ( 5.366 6.979 -0.000) 8.804 15.416 ( -7.448 -2.519 0.000) 7.863 16.147 ( -14.054 -15.957 0.000) 21.264 16.436 ( 4.313 -5.091 -0.000) 6.672 18.252 ( 2.167 -15.292 -0.000) 15.444 19.243 ( -9.682 -15.629 0.000) 18.385 ======================= Grid point 49 (50/441) ======================= q-point: (-0.40 -0.43 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -2.187 1.591 0.153) 2.709 5.559 ( -21.170 -3.587 1.346) 21.514 7.610 ( -25.093 -11.454 3.211) 27.770 8.421 ( 4.276 -15.937 -8.497) 18.560 8.696 ( 4.141 -14.814 1.787) 15.485 10.024 ( -13.761 11.869 0.008) 18.172 10.292 ( -3.748 24.848 3.332) 25.349 10.941 ( 5.782 -12.585 -2.292) 14.038 11.901 ( -13.136 -26.785 1.829) 29.889 13.629 ( 6.552 -1.114 0.796) 6.694 14.977 ( -2.819 -3.328 -2.489) 5.022 15.241 ( 3.670 3.294 2.434) 5.500 16.734 ( -10.968 9.651 -3.423) 15.005 16.847 ( -3.010 10.904 1.488) 11.410 17.431 ( 20.917 -1.865 3.969) 21.372 ======================= Grid point 50 (51/441) ======================= q-point: ( 0.06 0.28 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 20.371 7.040 6.875) 22.623 4.338 ( 42.280 1.489 -4.633) 42.559 5.942 ( -3.084 9.542 7.265) 12.383 6.529 ( 36.537 6.286 -6.751) 37.684 8.379 ( -2.088 -13.051 2.258) 13.409 8.674 ( 4.352 6.465 -5.739) 9.678 9.444 ( -6.066 27.268 4.573) 28.306 10.715 ( 17.058 -5.271 -3.651) 18.223 11.424 ( 13.967 -5.247 5.365) 15.856 13.753 ( -6.842 1.442 2.935) 7.583 15.222 ( -7.597 -1.549 -17.965) 19.567 16.324 ( -4.881 -5.898 2.830) 8.162 16.770 ( 4.396 -5.892 3.415) 8.106 18.172 ( -6.687 -6.638 -3.310) 9.986 18.644 ( -16.882 2.113 -15.090) 22.742 ======================= Grid point 51 (52/441) ======================= q-point: (-0.48 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 -0.460 -2.868) 2.905 2.641 ( 0.000 -1.230 -2.787) 3.046 3.653 ( 0.000 -0.540 -2.444) 2.503 7.927 ( -0.000 -18.123 2.414) 18.283 8.324 ( 0.000 17.580 -1.688) 17.661 8.349 ( -0.000 -0.729 0.677) 0.995 9.676 ( 0.000 2.747 -0.026) 2.748 10.654 ( -0.000 -20.142 7.259) 21.410 12.133 ( 0.000 6.158 -8.849) 10.781 14.865 ( -0.000 -0.655 1.315) 1.469 15.073 ( -0.000 -1.029 -0.104) 1.034 15.637 ( -0.000 1.072 3.262) 3.433 15.765 ( 0.000 0.667 -1.764) 1.886 17.254 ( 0.000 4.818 -0.931) 4.907 18.158 ( 0.000 4.367 -1.940) 4.779 ======================= Grid point 52 (53/441) ======================= q-point: (-0.02 -0.31 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -22.869 0.000 -8.459) 24.383 4.322 ( -42.697 0.000 4.984) 42.987 5.835 ( 10.066 0.000 -7.103) 12.320 6.473 ( -44.582 0.000 6.447) 45.046 8.597 ( 1.134 -0.000 4.657) 4.793 8.609 ( -3.375 -0.000 6.637) 7.446 9.077 ( 8.998 0.000 -11.607) 14.686 10.770 ( -17.140 -0.000 3.792) 17.554 11.477 ( -14.296 0.000 -5.721) 15.398 13.738 ( 6.665 0.000 -2.871) 7.258 15.239 ( 7.914 -0.000 18.388) 20.019 16.382 ( 5.233 0.000 -4.178) 6.696 16.838 ( -5.077 0.000 -1.564) 5.312 18.243 ( 7.492 -0.000 2.529) 7.908 18.616 ( 17.561 -0.000 16.129) 23.844 ======================= Grid point 53 (54/441) ======================= q-point: (-0.56 0.39 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 1.615 -0.397 0.006) 1.663 5.621 ( 20.281 2.568 -0.593) 20.452 7.781 ( 28.904 5.362 -2.509) 29.504 8.681 ( -5.555 5.932 7.555) 11.096 8.914 ( -2.968 4.156 -3.411) 6.141 9.777 ( 5.134 -13.427 0.726) 14.394 9.949 ( 9.898 -0.984 -1.975) 10.141 11.096 ( -3.109 1.586 0.358) 3.508 12.333 ( 10.035 14.130 -0.747) 17.347 13.650 ( -6.364 0.791 -0.433) 6.428 15.026 ( 2.006 1.769 0.108) 2.677 15.181 ( -3.579 -2.832 -0.064) 4.565 16.557 ( 12.121 -7.465 0.497) 14.245 16.697 ( 0.643 -2.536 0.628) 2.691 17.509 ( -21.752 5.774 -1.512) 22.556 ======================= Grid point 54 (55/441) ======================= q-point: (-0.10 0.10 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 20.438 -27.793 -0.000) 34.499 1.628 ( 42.969 -5.051 -0.000) 43.265 2.935 ( 66.929 -7.014 -0.000) 67.296 6.941 ( -11.451 -15.213 0.000) 19.041 8.281 ( 17.083 4.984 -0.000) 17.795 8.308 ( 2.848 0.952 -0.000) 3.002 9.599 ( -1.018 -4.777 -0.000) 4.884 10.338 ( -1.308 5.463 0.000) 5.617 10.495 ( 5.905 -2.464 -0.000) 6.398 13.983 ( -4.255 -3.516 0.000) 5.520 15.456 ( 7.766 1.369 -0.000) 7.886 16.475 ( 3.254 10.062 0.000) 10.575 16.546 ( 0.097 9.302 0.000) 9.303 18.491 ( -2.619 7.969 0.000) 8.389 19.586 ( 1.942 16.694 0.000) 16.807 ======================= Grid point 55 (56/441) ======================= q-point: ( 0.36 -0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -17.740 4.181 -5.936) 19.168 3.285 ( -18.122 7.791 10.198) 22.206 4.551 ( -48.083 3.057 0.286) 48.181 8.311 ( -1.001 6.010 -2.261) 6.499 8.379 ( -10.908 13.369 -0.712) 17.269 9.365 ( 2.068 -8.215 -1.253) 8.563 9.529 ( -18.697 -17.448 1.272) 25.605 10.553 ( 0.955 40.839 -4.206) 41.066 11.536 ( -5.984 5.871 7.149) 11.018 14.377 ( 10.042 1.170 -0.284) 10.114 15.362 ( 0.430 2.393 -2.939) 3.814 15.608 ( 7.996 -4.709 0.281) 9.284 16.138 ( -4.639 -5.521 1.550) 7.376 17.027 ( 1.605 -16.800 3.084) 17.156 18.541 ( -5.033 -10.703 -4.106) 12.520 ======================= Grid point 56 (57/441) ======================= q-point: (-0.17 -0.49 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -4.820 2.218 1.480) 5.509 5.694 ( -8.607 -2.164 0.337) 8.881 6.416 ( 9.536 -20.871 -2.435) 23.075 7.814 ( -15.390 -3.578 -0.627) 15.813 8.033 ( 5.071 -4.636 2.558) 7.332 9.578 ( -9.498 -30.097 0.630) 31.566 9.739 ( 7.335 -17.029 -0.836) 18.560 11.473 ( -9.747 9.175 -0.521) 13.396 11.701 ( 1.609 13.218 0.286) 13.318 13.488 ( 3.724 -0.730 2.169) 4.371 14.692 ( -4.797 -2.885 -7.256) 9.164 15.814 ( -2.051 8.963 10.387) 13.872 17.257 ( 10.169 8.140 2.443) 13.253 17.317 ( -7.030 2.185 -4.406) 8.580 17.666 ( -2.860 3.433 2.350) 5.048 ======================= Grid point 57 (58/441) ======================= q-point: ( 0.29 0.21 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 11.729 1.427 1.566) 11.919 3.834 ( 25.929 4.736 3.118) 26.542 5.443 ( 45.605 2.197 -1.542) 45.684 7.943 ( -0.367 25.365 -4.287) 25.727 8.298 ( 1.300 4.555 6.099) 7.723 9.490 ( 17.522 3.884 -0.220) 17.949 9.860 ( 7.167 21.510 -2.497) 22.810 10.309 ( 18.188 -15.804 1.373) 24.134 11.483 ( -10.215 15.565 4.051) 19.053 14.157 ( -9.239 1.787 0.906) 9.454 15.007 ( -6.704 2.438 -7.795) 10.566 15.691 ( -1.949 -8.414 -0.279) 8.641 16.482 ( 1.730 -8.580 4.815) 9.990 17.330 ( -4.019 -16.853 -4.423) 17.881 18.508 ( -4.628 -6.575 -8.158) 11.455 ======================= Grid point 58 (59/441) ======================= q-point: (-0.25 -0.08 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -10.149 -10.198 -14.400) 20.356 2.316 ( -26.331 -12.554 -17.357) 33.944 3.109 ( -11.717 -13.237 -20.025) 26.712 7.119 ( -11.142 -14.541 9.536) 20.652 7.741 ( -11.178 -34.520 24.808) 43.955 8.938 ( 10.185 -5.253 -6.255) 13.056 9.418 ( -12.761 7.940 -3.223) 15.371 9.894 ( 1.378 3.186 0.845) 3.573 11.742 ( 14.154 -3.719 -23.032) 27.288 14.590 ( 11.787 -2.702 -6.149) 13.566 15.179 ( -12.048 6.623 -3.363) 14.154 15.785 ( -7.619 4.464 -6.162) 10.768 16.339 ( -0.801 10.568 0.972) 10.643 17.909 ( -0.014 14.553 1.919) 14.679 18.735 ( -3.650 10.501 -1.220) 11.185 ======================= Grid point 59 (60/441) ======================= q-point: ( 0.21 -0.38 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( -9.603 -0.197 0.357) 9.612 5.212 ( -32.575 0.201 2.295) 32.657 6.565 ( -3.280 26.209 -7.021) 27.330 7.511 ( -16.117 7.154 13.044) 21.934 8.034 ( -3.833 3.046 -10.480) 11.567 9.387 ( -7.567 23.139 -2.662) 24.490 10.636 ( -11.581 -3.543 5.885) 13.465 10.819 ( -0.615 21.341 -1.477) 21.401 11.235 ( -13.500 -10.450 -0.139) 17.073 13.671 ( 7.365 2.740 -1.372) 7.977 15.266 ( 5.228 -5.056 13.060) 14.949 15.738 ( 4.275 -12.657 -5.315) 14.378 16.439 ( -2.668 -6.270 -5.096) 8.509 17.686 ( 3.646 -14.065 1.905) 14.654 18.511 ( 18.064 -3.384 6.782) 19.589 ======================= Grid point 60 (61/441) ======================= q-point: (-0.33 0.33 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 6.321 1.787 -0.000) 6.569 5.225 ( 31.517 0.577 -0.000) 31.522 6.938 ( 21.213 -15.198 -0.000) 26.095 7.940 ( 4.587 -17.031 -0.000) 17.638 8.008 ( 0.876 -9.941 -0.000) 9.979 9.876 ( 7.816 -26.173 -0.000) 27.315 10.368 ( 13.501 16.006 -0.000) 20.939 10.852 ( 5.642 16.133 0.000) 17.091 11.570 ( 6.270 -30.026 -0.000) 30.674 13.719 ( -8.300 -3.220 0.000) 8.903 15.281 ( -4.614 6.349 0.000) 7.848 15.404 ( -1.881 12.422 0.000) 12.563 16.306 ( 1.380 2.323 -0.000) 2.702 17.386 ( -1.621 16.741 0.000) 16.819 18.453 ( -17.685 7.837 0.000) 19.344 ======================= Grid point 61 (62/441) ======================= q-point: ( 0.13 0.04 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 19.639 14.125 15.738) 28.860 1.691 ( 26.251 19.834 13.408) 35.529 2.354 ( 28.850 24.440 17.891) 41.830 7.074 ( 12.885 10.727 -14.107) 21.911 7.629 ( 15.901 22.357 -27.317) 38.716 8.574 ( -4.855 4.617 19.562) 20.677 9.521 ( 7.003 -5.812 1.155) 9.173 10.080 ( 0.576 -6.046 -8.252) 10.246 11.156 ( -17.140 1.071 37.331) 41.092 14.333 ( -10.668 3.166 14.488) 18.268 15.273 ( 9.443 -4.890 0.716) 10.658 15.797 ( 24.836 -12.630 7.626) 28.888 16.500 ( -1.887 -5.648 0.944) 6.030 18.265 ( 0.265 -14.821 -2.401) 15.016 18.948 ( 12.678 -10.638 -2.039) 16.676 ======================= Grid point 62 (63/441) ======================= q-point: (-0.41 -0.26 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -9.132 0.326 -1.202) 9.217 3.940 ( -22.403 -1.732 -0.825) 22.485 5.461 ( -44.425 -2.613 1.556) 44.529 8.400 ( -5.091 -20.937 -2.174) 21.656 8.540 ( -8.582 -11.446 -2.763) 14.571 9.228 ( -7.075 13.971 3.392) 16.023 9.926 ( -11.511 21.661 -0.651) 24.538 10.638 ( -16.093 -39.243 -2.089) 42.466 11.730 ( 11.795 -3.631 -0.330) 12.346 14.134 ( 8.525 1.449 1.709) 8.814 15.058 ( 6.711 -8.687 1.575) 11.089 15.575 ( 2.115 2.508 0.485) 3.317 16.317 ( -2.631 12.518 -1.862) 12.926 16.948 ( 5.105 11.640 4.707) 13.554 18.305 ( 3.694 3.141 2.361) 5.394 ======================= Grid point 63 (64/441) ======================= q-point: ( 0.05 0.45 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( 3.615 -1.503 -2.075) 4.431 5.674 ( 1.292 -0.040 1.283) 1.821 5.977 ( 2.509 14.557 3.418) 15.162 7.787 ( 11.625 2.620 -3.484) 12.415 8.101 ( -6.641 -9.369 -1.058) 11.532 8.971 ( 1.195 30.180 -2.230) 30.286 9.466 ( 2.355 6.336 3.875) 7.791 11.638 ( 8.654 -5.482 -1.419) 10.342 11.893 ( -0.829 -6.571 1.306) 6.750 13.492 ( -2.246 0.390 0.973) 2.478 14.607 ( -1.104 1.442 -3.748) 4.165 16.109 ( -0.561 -6.681 -1.730) 6.924 17.251 ( 7.817 -2.746 5.325) 9.849 17.476 ( -10.549 -3.618 -6.235) 12.777 17.734 ( -2.470 0.411 -2.212) 3.341 ======================= Grid point 64 (65/441) ======================= q-point: (-0.49 0.15 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 17.938 -1.453 3.788) 18.391 3.580 ( 9.828 -4.287 -6.932) 12.768 4.588 ( 46.891 -0.958 0.623) 46.905 8.362 ( 8.471 -3.527 2.993) 9.651 8.665 ( 14.878 -13.068 -0.300) 19.804 9.161 ( 15.163 13.032 0.319) 19.996 9.231 ( -7.284 7.102 -0.837) 10.208 11.180 ( 8.943 -23.619 4.601) 25.671 11.670 ( -4.786 3.895 -6.519) 8.976 14.327 ( -9.347 2.728 1.017) 9.790 15.397 ( -7.142 -3.065 1.383) 7.894 15.576 ( -0.787 -0.033 -1.008) 1.279 16.022 ( 4.865 5.114 0.481) 7.074 16.878 ( -5.855 5.274 -4.565) 9.107 18.292 ( 4.282 4.950 4.055) 7.699 ======================= Grid point 65 (66/441) ======================= q-point: (-0.02 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -26.167 0.000 -11.581) 28.615 1.675 ( -39.620 0.000 -10.646) 41.025 3.017 ( -64.649 0.000 -15.800) 66.552 6.552 ( 6.898 -0.000 22.681) 23.706 8.058 ( -24.447 -0.000 24.123) 34.345 8.492 ( -1.036 0.000 -16.227) 16.260 9.598 ( 6.658 0.000 -3.452) 7.500 10.317 ( -2.045 -0.000 4.628) 5.060 10.764 ( 8.756 0.000 -22.020) 23.697 14.055 ( 8.371 0.000 -10.215) 13.207 15.487 ( -5.635 0.000 -1.753) 5.901 16.567 ( 3.785 0.000 -3.403) 5.090 16.693 ( -0.571 -0.000 1.559) 1.660 18.576 ( 3.032 -0.000 -0.380) 3.055 19.629 ( 3.411 -0.000 16.347) 16.699 ======================= Grid point 66 (67/441) ======================= q-point: ( 0.44 -0.44 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -1.522 -1.327 0.000) 2.019 5.665 ( -19.545 -1.983 0.000) 19.646 7.807 ( -28.333 1.127 0.000) 28.355 8.678 ( 7.529 17.051 0.000) 18.639 8.679 ( -4.693 14.385 0.000) 15.131 9.765 ( -6.557 -13.300 -0.000) 14.829 10.167 ( -3.297 -17.189 -0.000) 17.502 10.973 ( -0.956 13.040 0.000) 13.075 12.447 ( -6.229 3.381 0.000) 7.088 13.651 ( 6.738 0.559 -0.000) 6.761 15.071 ( -1.618 -3.720 -0.000) 4.057 15.127 ( 2.103 2.270 -0.000) 3.094 16.429 ( -9.481 4.688 0.000) 10.576 16.775 ( 0.420 -8.709 -0.000) 8.719 17.670 ( 21.810 -9.883 -0.000) 23.944 ======================= Grid point 67 (68/441) ======================= q-point: (-0.10 0.27 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 24.727 -9.197 4.557) 26.772 4.408 ( 44.546 -0.947 -2.783) 44.643 5.839 ( -11.815 -9.339 3.824) 15.538 6.618 ( 43.752 -7.000 -2.991) 44.410 8.330 ( -3.235 16.620 2.364) 17.096 8.769 ( 0.417 -4.974 -4.120) 6.472 9.392 ( -4.392 -31.043 1.423) 31.384 10.767 ( 17.559 5.537 -2.021) 18.522 11.341 ( 15.190 4.658 3.358) 16.239 13.714 ( -5.854 -1.301 1.318) 6.139 15.532 ( -4.405 2.259 -14.850) 15.653 16.221 ( -6.679 3.946 7.491) 10.784 16.722 ( 3.967 8.249 1.685) 9.307 18.217 ( -6.280 6.109 -1.600) 8.906 18.877 ( -17.836 -1.047 -9.339) 20.160 ======================= Grid point 68 (69/441) ======================= q-point: ( 0.36 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 8.018 -0.036) 8.018 2.440 ( -0.000 8.760 7.618) 11.609 3.418 ( -0.000 5.688 14.490) 15.567 7.610 ( 0.000 17.371 -2.898) 17.611 8.413 ( 0.000 3.022 -8.845) 9.347 8.657 ( -0.000 -17.129 1.076) 17.163 9.697 ( -0.000 -6.195 5.877) 8.539 10.277 ( 0.000 37.443 -15.079) 40.366 11.899 ( -0.000 -0.397 22.557) 22.560 14.911 ( 0.000 -0.417 -3.973) 3.995 14.972 ( 0.000 6.005 3.144) 6.778 15.696 ( -0.000 1.102 5.110) 5.228 15.878 ( 0.000 -9.430 -8.992) 13.030 17.324 ( -0.000 -12.300 8.824) 15.138 18.300 ( -0.000 -7.644 -2.689) 8.103 ======================= Grid point 69 (70/441) ======================= q-point: (-0.18 -0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -10.637 -4.522 -3.525) 12.084 4.308 ( -36.991 -3.443 3.804) 37.345 6.192 ( -36.700 -3.168 1.192) 36.855 6.731 ( 0.710 -23.969 -0.879) 23.996 8.264 ( 2.266 3.606 -2.932) 5.171 8.851 ( -12.964 -18.573 1.043) 22.674 10.050 ( 3.522 -22.618 -1.486) 22.939 10.513 ( -14.709 4.925 3.700) 15.946 11.356 ( -10.024 11.240 -5.523) 16.041 13.865 ( 8.054 -2.578 -4.322) 9.497 14.876 ( 7.370 0.783 15.757) 17.413 16.104 ( 3.917 11.851 4.615) 13.308 16.762 ( -2.636 4.738 -6.614) 8.552 17.884 ( 4.599 11.854 6.950) 14.490 18.423 ( 14.865 -1.272 12.512) 19.472 ======================= Grid point 70 (71/441) ======================= q-point: ( 0.28 0.39 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 3.232 -2.238 -0.765) 4.005 5.530 ( 20.602 3.416 -3.530) 21.180 7.401 ( 9.922 17.708 -4.707) 20.837 7.881 ( 9.975 16.099 11.475) 22.144 8.439 ( -3.593 11.239 -0.744) 11.823 10.260 ( 10.655 0.702 -2.581) 10.986 10.515 ( 2.560 11.044 3.812) 11.960 10.865 ( 0.541 -20.852 -0.312) 20.862 11.389 ( 11.205 25.425 -4.233) 28.105 13.630 ( -7.168 0.763 -0.981) 7.275 14.817 ( 2.078 6.056 2.104) 6.740 15.432 ( -1.999 -8.330 -4.861) 9.849 16.812 ( 8.339 -8.106 7.331) 13.748 17.157 ( 0.198 -13.531 -3.555) 13.992 17.561 ( -17.112 -2.203 -8.675) 19.311 ======================= Grid point 71 (72/441) ======================= q-point: (-0.26 0.09 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 28.907 -12.078 -3.673) 31.543 2.519 ( 16.770 -17.560 -10.313) 26.381 3.415 ( 45.506 -8.219 -7.459) 46.840 7.584 ( 11.942 -14.209 10.735) 21.442 8.258 ( 4.215 -6.456 6.886) 10.338 8.664 ( -4.187 -28.008 -1.082) 28.340 9.646 ( 16.904 6.391 -2.933) 18.309 9.955 ( -0.070 7.472 5.724) 9.413 11.066 ( -6.480 -11.549 -19.483) 23.557 14.303 ( -7.873 -8.139 -4.013) 12.013 15.343 ( 6.374 3.586 1.292) 7.427 15.913 ( 9.536 9.491 -1.726) 13.564 16.327 ( -1.871 6.230 -0.861) 6.561 17.888 ( -1.843 19.781 -0.780) 19.882 18.911 ( 8.464 12.777 4.058) 15.854 ======================= Grid point 72 (73/441) ======================= q-point: ( 0.20 -0.20 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -13.053 14.876 0.000) 19.791 2.766 ( -41.323 8.337 0.000) 42.156 4.376 ( -53.833 4.364 0.000) 54.010 7.769 ( 5.403 25.978 0.000) 26.534 8.178 ( 6.750 -0.301 -0.000) 6.757 8.819 ( -12.929 20.309 0.000) 24.075 9.996 ( -20.925 -2.736 0.000) 21.103 10.015 ( -1.545 -8.912 -0.000) 9.044 10.881 ( -1.959 15.591 0.000) 15.714 14.113 ( 7.949 7.740 -0.000) 11.095 15.477 ( -4.583 -3.790 0.000) 5.947 15.987 ( 2.380 -13.360 -0.000) 13.571 16.285 ( -1.249 -4.071 -0.000) 4.259 17.846 ( 1.807 -19.880 -0.000) 19.962 19.088 ( -3.467 -12.350 -0.000) 12.827 ======================= Grid point 73 (74/441) ======================= q-point: (-0.34 0.50 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( -2.356 3.205 0.234) 3.984 5.812 ( -11.346 -3.022 0.259) 11.744 7.423 ( 2.793 -26.343 0.651) 26.498 8.201 ( -5.662 -11.387 -3.749) 13.258 8.315 ( 3.987 -9.894 2.006) 10.854 10.420 ( 0.304 -12.733 -1.311) 12.804 10.513 ( -5.031 -3.114 2.284) 6.342 10.850 ( 1.345 23.572 1.070) 23.634 11.586 ( -9.235 -22.561 -0.986) 24.398 13.503 ( 2.943 -1.730 1.258) 3.638 14.978 ( -3.677 -2.386 -8.056) 9.171 15.309 ( -1.315 6.013 7.440) 9.656 16.938 ( 15.847 4.446 0.559) 16.469 17.135 ( -6.422 9.394 -0.592) 11.395 17.324 ( -10.215 10.224 1.157) 14.499 ======================= Grid point 74 (75/441) ======================= q-point: ( 0.13 0.21 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 16.842 12.081 7.642) 22.091 3.558 ( 40.937 4.658 1.345) 41.223 5.413 ( 46.000 -0.843 0.178) 46.008 6.786 ( -2.444 32.166 -4.977) 32.641 8.245 ( -6.744 -7.889 5.873) 11.925 8.682 ( 14.225 11.357 -7.801) 19.804 10.032 ( 3.523 17.074 0.422) 17.438 10.327 ( 9.249 -1.761 -0.312) 9.420 11.041 ( 8.191 -5.439 7.494) 12.363 13.948 ( -8.102 3.467 4.255) 9.785 15.305 ( -5.951 -3.491 -13.470) 15.134 16.197 ( -2.280 -12.970 -0.492) 13.178 16.598 ( 1.854 -4.810 7.068) 8.748 18.076 ( -4.589 -13.398 -3.625) 14.619 18.924 ( -10.006 -2.673 -13.514) 17.026 ======================= Grid point 75 (76/441) ======================= q-point: (-0.41 -0.09 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -6.917 -1.875 -7.420) 10.316 2.893 ( -28.121 -3.690 -8.201) 29.524 3.621 ( 0.302 -1.458 -6.255) 6.430 7.655 ( -10.110 -17.593 3.692) 20.624 8.269 ( 1.539 -2.510 1.915) 3.512 8.822 ( -12.746 13.577 -0.423) 18.628 9.710 ( 5.805 6.305 0.226) 8.573 10.047 ( -4.147 -38.731 11.009) 40.478 12.206 ( 5.782 3.279 -16.313) 17.616 14.707 ( 9.266 -0.742 2.239) 9.562 15.163 ( -8.754 -3.501 -1.163) 9.500 15.645 ( 3.878 2.972 6.242) 7.926 15.914 ( -8.561 6.571 -2.561) 11.091 17.383 ( 3.883 11.090 -1.252) 11.816 18.311 ( 0.550 10.771 -4.043) 11.518 ======================= Grid point 76 (77/441) ======================= q-point: ( 0.05 -0.38 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -17.269 2.800 -0.876) 17.516 5.101 ( -33.956 0.756 6.781) 34.635 5.783 ( 9.090 15.191 -15.543) 23.558 7.211 ( -29.031 -1.197 12.430) 31.603 8.354 ( 1.694 -11.100 -1.132) 11.285 8.764 ( -6.807 8.743 0.018) 11.080 9.334 ( 4.942 28.547 -3.512) 29.184 11.077 ( -18.905 -5.521 3.669) 20.034 11.668 ( -10.339 -5.594 -3.816) 12.359 13.624 ( 6.212 1.114 -2.479) 6.781 15.070 ( 7.808 -0.869 18.952) 20.516 16.221 ( 5.448 -5.390 -3.941) 8.617 16.872 ( -5.981 -7.019 -3.934) 10.025 18.034 ( 7.295 -5.141 3.499) 9.586 18.293 ( 18.372 2.868 13.558) 23.012 ======================= Grid point 77 (78/441) ======================= q-point: (-0.49 0.32 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 2.937 0.881 0.020) 3.066 5.175 ( 29.492 1.727 0.099) 29.543 7.180 ( 37.161 0.886 -1.766) 37.214 8.561 ( 0.486 -17.099 2.828) 17.338 8.861 ( -4.902 -17.164 -3.014) 18.103 9.581 ( 11.712 11.605 0.600) 16.499 10.025 ( 9.136 20.664 1.934) 22.677 10.998 ( -2.143 -16.659 -1.945) 16.909 12.261 ( 11.226 -0.956 1.617) 11.382 13.810 ( -8.560 0.213 -0.319) 8.569 15.041 ( -0.277 1.962 0.975) 2.209 15.217 ( -5.572 -1.578 -1.789) 6.061 16.291 ( 5.742 -0.903 -0.469) 5.831 16.766 ( 0.278 9.197 0.695) 9.228 18.050 ( -17.237 8.382 1.605) 19.234 ======================= Grid point 78 (79/441) ======================= q-point: (-0.03 0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 26.868 -0.000 -0.000) 26.868 0.751 ( 39.576 -0.000 -0.000) 39.576 1.449 ( 72.955 -0.000 -0.000) 72.955 6.970 ( -6.441 0.000 0.000) 6.441 8.146 ( 7.418 -0.000 -0.000) 7.418 8.232 ( 3.172 -0.000 -0.000) 3.172 9.610 ( -1.138 0.000 0.000) 1.138 10.390 ( 1.309 -0.000 -0.000) 1.309 10.434 ( -1.632 0.000 0.000) 1.632 14.011 ( -2.426 0.000 0.000) 2.426 15.330 ( 5.679 -0.000 -0.000) 5.679 16.586 ( -1.735 0.000 0.000) 1.735 16.706 ( -0.013 0.000 0.000) 0.013 18.614 ( -1.400 0.000 0.000) 1.400 19.917 ( -4.163 0.000 0.000) 4.163 ======================= Grid point 79 (80/441) ======================= q-point: ( 0.43 -0.27 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -6.662 0.634 -0.602) 6.720 3.900 ( -30.060 2.820 1.527) 30.230 5.513 ( -45.834 -0.013 0.047) 45.834 8.511 ( -2.172 12.921 -0.351) 13.107 8.932 ( -13.801 13.628 1.300) 19.439 9.151 ( 2.744 -6.688 -3.430) 8.001 9.484 ( -17.098 -21.766 0.482) 27.682 11.208 ( 7.174 28.058 1.292) 28.989 11.724 ( -13.934 -7.391 -0.422) 15.779 14.160 ( 9.096 -2.704 -0.384) 9.497 15.252 ( 10.240 -1.326 -2.279) 10.574 15.470 ( 4.797 3.194 3.319) 6.650 16.121 ( -3.976 -3.418 -0.450) 5.262 16.750 ( 0.633 -7.879 2.022) 8.159 18.406 ( 0.611 -7.587 -2.736) 8.089 ======================= Grid point 80 (81/441) ======================= q-point: (-0.11 0.44 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 0.081 1.828 -1.203) 2.190 5.642 ( 6.244 -6.348 1.892) 9.104 5.929 ( 5.462 -9.072 1.909) 10.760 7.856 ( 5.158 -2.074 -3.864) 6.770 8.109 ( -8.015 10.100 0.222) 12.896 9.011 ( -2.671 -30.747 -2.051) 30.931 9.395 ( 9.366 -6.496 3.688) 11.980 11.672 ( 6.758 5.734 -2.270) 9.149 11.863 ( 0.894 6.146 1.981) 6.519 13.449 ( -1.248 -0.623 3.135) 3.432 14.772 ( -6.943 -0.758 -13.477) 15.179 16.029 ( -3.882 5.545 9.866) 11.965 17.166 ( 8.805 6.088 3.609) 11.297 17.615 ( -13.010 1.652 -7.963) 15.343 17.772 ( -6.144 -0.502 -1.910) 6.454 ======================= Grid point 81 (82/441) ======================= q-point: ( 0.35 0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 19.643 1.135 2.043) 19.782 3.612 ( 7.447 3.865 5.623) 10.100 4.566 ( 46.356 1.112 0.505) 46.373 8.231 ( 13.563 15.317 -3.080) 20.690 8.341 ( 5.576 6.715 1.542) 8.863 9.262 ( -0.855 -6.868 -4.530) 8.272 9.619 ( 13.273 -17.919 3.457) 22.566 10.383 ( 11.230 40.475 -3.859) 42.181 11.865 ( -9.268 1.911 8.433) 12.676 14.340 ( -9.117 -1.279 -1.773) 9.375 15.241 ( -5.980 7.246 -2.769) 9.794 15.593 ( 0.330 -2.891 -1.309) 3.190 16.211 ( 5.084 -10.596 2.197) 11.956 17.128 ( -7.218 -13.153 -0.187) 15.004 18.362 ( 2.389 -8.205 -3.032) 9.068 ======================= Grid point 82 (83/441) ======================= q-point: (-0.18 -0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -23.620 -10.156 -10.866) 27.913 2.394 ( -18.199 -20.248 -19.675) 33.590 3.493 ( -45.058 -4.975 -15.748) 47.989 6.741 ( -3.132 -30.730 25.552) 40.087 7.766 ( -29.779 -9.224 16.665) 35.350 8.697 ( 12.807 3.849 -12.772) 18.492 9.768 ( -10.993 -1.944 -4.718) 12.119 10.007 ( -3.737 7.871 4.557) 9.833 11.263 ( 18.381 -6.952 -18.964) 27.310 14.306 ( 10.761 -3.003 -7.590) 13.506 15.425 ( -0.680 4.804 -0.787) 4.915 16.176 ( -6.350 14.707 2.067) 16.152 16.535 ( -0.438 7.053 -7.951) 10.637 18.210 ( 0.959 14.515 3.934) 15.069 19.041 ( -4.289 9.373 7.679) 12.854 ======================= Grid point 83 (84/441) ======================= q-point: ( 0.28 -0.44 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( -2.879 -3.712 0.574) 4.733 5.705 ( -17.917 -0.440 1.641) 17.997 7.229 ( -5.433 29.397 -5.096) 30.326 7.931 ( -12.524 9.104 8.822) 17.821 8.250 ( -4.659 7.262 -6.751) 10.955 10.087 ( -9.448 25.631 -4.094) 27.622 10.578 ( -9.979 -19.270 2.983) 21.905 10.865 ( 2.980 -10.945 -0.451) 11.353 11.656 ( -4.497 25.835 2.906) 26.384 13.585 ( 6.291 2.382 -1.284) 6.848 15.093 ( 3.154 -2.901 8.775) 9.765 15.428 ( 2.719 -10.442 -4.616) 11.736 16.422 ( -6.743 -3.416 -4.437) 8.765 17.322 ( 3.178 -14.942 1.533) 15.352 18.023 ( 20.331 -7.263 4.742) 22.104 ======================= Grid point 84 (85/441) ======================= q-point: (-0.26 0.26 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 13.218 -5.134 -0.000) 14.180 4.486 ( 42.005 -1.581 -0.000) 42.035 6.211 ( 30.220 -7.015 -0.000) 31.024 7.426 ( 0.404 -28.349 -0.000) 28.352 7.944 ( -4.444 0.007 0.000) 4.444 9.249 ( 6.105 -19.138 -0.000) 20.089 10.373 ( 15.977 13.454 -0.000) 20.887 10.778 ( 10.845 -28.284 -0.000) 30.292 10.973 ( 7.301 6.936 -0.000) 10.071 13.805 ( -7.545 -3.830 0.000) 8.462 15.499 ( -2.971 6.338 0.000) 6.999 15.758 ( -5.349 14.506 0.000) 15.461 16.360 ( 0.978 4.526 0.000) 4.631 17.764 ( -2.545 16.223 0.000) 16.421 18.890 ( -13.030 5.541 0.000) 14.159 ======================= Grid point 85 (86/441) ======================= q-point: ( 0.20 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 18.016 13.536) 22.534 1.675 ( 0.000 18.611 13.371) 22.916 2.666 ( 0.000 20.751 13.492) 24.751 7.051 ( 0.000 11.961 -2.387) 12.197 8.162 ( 0.000 26.852 -25.311) 36.901 8.884 ( 0.000 23.529 11.235) 26.074 9.246 ( -0.000 -11.722 0.201) 11.724 9.971 ( 0.000 -5.830 -7.857) 9.783 11.325 ( -0.000 0.895 36.997) 37.007 14.542 ( -0.000 6.258 12.557) 14.030 15.045 ( 0.000 -0.247 -9.045) 9.049 15.503 ( -0.000 1.063 10.406) 10.460 16.386 ( -0.000 -7.227 -2.025) 7.505 17.919 ( -0.000 -18.909 0.407) 18.914 18.671 ( -0.000 -7.375 -0.102) 7.376 ======================= Grid point 86 (87/441) ======================= q-point: (-0.34 -0.33 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -4.641 0.163 -0.006) 4.644 4.424 ( -30.893 -3.790 1.347) 31.154 6.226 ( -40.200 -4.333 5.458) 40.800 7.923 ( 2.123 -25.595 -7.140) 26.657 8.443 ( -2.473 -8.985 -2.789) 9.728 9.776 ( -13.069 14.893 4.439) 20.305 10.128 ( -16.233 -33.126 -7.432) 37.631 10.627 ( -14.341 14.898 1.637) 20.743 11.278 ( 10.921 -16.120 2.274) 19.604 13.980 ( 9.331 0.278 0.493) 9.349 14.800 ( 2.554 -7.191 3.253) 8.296 15.600 ( 4.913 6.983 2.888) 9.013 16.599 ( -2.196 10.128 -5.145) 11.571 17.161 ( 1.460 14.847 7.146) 16.542 18.203 ( 12.199 2.010 6.529) 13.982 ======================= Grid point 87 (88/441) ======================= q-point: ( 0.12 0.38 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 6.958 -1.266 -2.629) 7.545 5.507 ( 18.332 1.777 -6.363) 19.486 6.389 ( -5.163 23.069 14.199) 27.576 7.470 ( 21.864 1.876 -5.588) 22.645 8.195 ( -4.448 1.959 -2.445) 5.441 9.344 ( 12.981 20.854 3.381) 24.796 9.843 ( -5.313 27.908 -0.875) 28.423 11.216 ( 16.457 -9.673 -1.824) 19.176 11.674 ( 4.013 -12.304 1.061) 12.985 13.587 ( -5.701 1.052 2.240) 6.215 14.684 ( -2.624 2.217 -9.024) 9.655 15.958 ( -2.406 -10.567 -4.428) 11.707 16.966 ( 7.816 -7.187 7.983) 13.284 17.681 ( -9.984 -6.938 -5.111) 13.189 17.799 ( -10.486 0.493 -10.087) 14.559 ======================= Grid point 88 (89/441) ======================= q-point: (-0.42 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 17.106 -5.533 1.612) 18.051 3.272 ( 14.739 -9.327 -12.407) 21.405 3.711 ( 32.887 -1.461 -2.945) 33.051 7.989 ( 16.016 -13.412 3.267) 21.144 8.314 ( -0.619 -2.688 4.068) 4.915 9.129 ( 17.251 13.766 0.440) 22.075 9.535 ( -7.143 8.253 -2.965) 11.311 10.351 ( 5.072 -40.878 10.854) 42.597 11.770 ( -4.728 -2.482 -16.831) 17.658 14.554 ( -9.511 -0.112 1.376) 9.611 15.290 ( 4.601 -4.604 0.411) 6.522 15.680 ( -3.089 2.372 3.734) 5.396 16.046 ( 7.115 8.043 -0.895) 10.775 17.199 ( -5.459 13.919 -6.505) 16.305 18.356 ( 3.958 9.572 4.180) 11.169 ======================= Grid point 89 (90/441) ======================= q-point: ( 0.04 -0.21 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -23.284 19.573 -8.534) 31.592 2.563 ( -45.322 3.440 -3.816) 45.613 4.296 ( -60.870 1.610 -6.924) 61.284 6.546 ( 11.059 17.386 12.113) 23.902 8.430 ( -0.401 -6.283 -5.464) 8.336 8.463 ( -14.405 -0.033 9.975) 17.521 9.582 ( 4.517 14.919 -3.675) 16.015 10.326 ( -4.890 -5.599 2.178) 7.747 10.780 ( -8.170 -0.974 -9.161) 12.314 13.943 ( 6.276 2.428 -5.076) 8.429 15.562 ( -3.247 -1.868 3.802) 5.337 16.446 ( 5.012 -3.888 -2.274) 6.739 16.599 ( -3.096 -9.778 -0.924) 10.298 18.422 ( 4.092 -7.772 0.592) 8.804 19.410 ( 7.733 -5.965 10.578) 14.397 ======================= Grid point 90 (91/441) ======================= q-point: ( 0.50 -0.50 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -0.674 0.767 0.000) 1.021 5.902 ( -8.081 -1.400 0.000) 8.202 8.230 ( -18.760 -7.342 0.000) 20.146 8.575 ( 12.459 -7.390 -0.000) 14.486 8.830 ( 2.111 -5.843 -0.000) 6.213 9.851 ( -1.706 14.519 0.000) 14.619 10.094 ( -6.363 4.290 0.000) 7.674 11.048 ( 2.228 -4.641 -0.000) 5.148 12.475 ( -4.886 -10.793 -0.000) 11.847 13.555 ( 2.507 -0.738 -0.000) 2.614 15.073 ( -1.977 0.301 0.000) 2.000 15.130 ( 1.721 0.571 -0.000) 1.814 16.732 ( -1.403 4.300 0.000) 4.524 16.832 ( -13.713 8.096 0.000) 15.925 17.073 ( 17.879 -5.464 -0.000) 18.695 ======================= Grid point 91 (92/441) ======================= q-point: (-0.03 0.20 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 27.630 -0.000 8.429) 28.887 3.469 ( 48.410 -0.000 -0.792) 48.417 5.475 ( 58.214 -0.000 2.391) 58.263 6.084 ( -16.427 0.000 -3.471) 16.790 8.595 ( 3.698 -0.000 1.748) 4.090 8.670 ( 6.336 0.000 -7.950) 10.166 9.157 ( -12.733 -0.000 4.203) 13.409 10.534 ( 11.222 -0.000 -1.593) 11.334 11.069 ( 16.265 -0.000 4.764) 16.948 13.808 ( -5.383 -0.000 2.739) 6.040 15.608 ( -0.759 0.000 -9.673) 9.703 16.381 ( -5.599 -0.000 5.264) 7.685 16.750 ( 2.577 -0.000 0.070) 2.578 18.403 ( -5.689 0.000 -0.857) 5.753 19.205 ( -15.799 0.000 -10.628) 19.041 ======================= Grid point 92 (93/441) ======================= q-point: ( 0.43 -0.09 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -7.032 5.114 -6.490) 10.851 2.897 ( -28.412 6.057 2.428) 29.152 3.522 ( -0.806 3.612 10.124) 10.779 8.044 ( -6.864 15.251 -2.130) 16.860 8.283 ( -1.563 -9.776 -2.566) 10.228 8.574 ( -11.473 -6.370 -3.572) 13.600 9.537 ( 5.010 -3.631 7.467) 9.697 10.848 ( -4.682 9.485 -7.783) 13.132 11.915 ( 4.162 8.672 9.675) 13.643 14.724 ( 10.669 -2.003 -0.648) 10.875 15.215 ( -10.728 1.791 1.864) 11.035 15.691 ( 1.878 -3.444 -4.250) 5.784 15.804 ( -5.266 -1.046 0.043) 5.369 17.114 ( 4.100 -3.497 8.226) 9.834 18.198 ( 0.312 -1.812 -5.615) 5.909 ======================= Grid point 93 (94/441) ======================= q-point: (-0.11 -0.39 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -12.036 -1.744 -0.148) 12.162 4.958 ( -32.786 -1.459 8.437) 33.885 6.122 ( 5.024 -14.234 -20.893) 25.775 6.981 ( -28.853 1.311 12.125) 31.324 8.298 ( 3.250 4.877 6.758) 8.945 8.752 ( -8.592 -13.077 1.895) 15.762 9.454 ( 4.496 -18.999 -9.444) 21.688 11.005 ( -19.556 5.169 4.065) 20.632 11.739 ( -8.859 6.353 -3.854) 11.562 13.686 ( 6.441 -1.026 -4.143) 7.727 14.745 ( 6.095 -0.278 15.737) 16.879 16.205 ( 4.606 6.481 5.935) 9.922 16.956 ( -6.594 4.687 -5.039) 9.531 17.947 ( 7.042 5.007 6.756) 10.969 18.052 ( 16.528 -2.687 10.800) 19.926 ======================= Grid point 94 (95/441) ======================= q-point: ( 0.35 0.32 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 2.869 -1.109 -0.335) 3.094 5.097 ( 29.154 2.798 -2.338) 29.381 7.086 ( 36.063 5.768 -5.140) 36.881 8.310 ( -4.808 20.842 10.839) 23.979 8.747 ( 0.189 14.325 1.489) 14.404 9.761 ( 15.479 -13.866 -2.804) 20.970 10.263 ( 6.062 -23.473 -3.748) 24.531 10.932 ( -2.054 17.477 8.401) 19.500 11.727 ( 11.255 23.921 -7.222) 27.405 13.799 ( -8.420 0.157 -1.068) 8.489 14.920 ( -0.091 5.894 0.211) 5.898 15.368 ( -5.655 -5.176 -0.976) 7.728 16.486 ( 7.086 -8.832 3.357) 11.810 16.869 ( -0.027 -11.945 -3.592) 12.474 17.899 ( -16.972 0.114 -5.351) 17.796 ======================= Grid point 96 (96/441) ======================= q-point: ( 0.27 -0.27 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -9.367 4.881 0.000) 10.563 3.716 ( -40.809 4.735 0.000) 41.083 5.447 ( -48.060 2.603 0.000) 48.130 8.099 ( 5.072 5.523 -0.000) 7.498 8.157 ( 6.158 23.061 0.000) 23.869 9.484 ( -11.219 14.566 0.000) 18.386 9.979 ( -3.713 5.651 0.000) 6.762 10.256 ( -21.300 -14.216 0.000) 25.608 11.343 ( -5.917 21.371 0.000) 22.175 14.081 ( 9.829 6.086 -0.000) 11.561 15.428 ( 1.104 -4.249 -0.000) 4.390 15.591 ( 8.294 -12.496 -0.000) 14.998 16.264 ( -2.409 -3.107 0.000) 3.932 17.407 ( 0.093 -20.447 -0.000) 20.447 18.866 ( 2.058 -11.099 -0.000) 11.288 ======================= Grid point 97 (97/441) ======================= q-point: (-0.27 0.43 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -0.785 4.295 -0.328) 4.378 5.877 ( 0.411 -1.580 -2.571) 3.046 6.695 ( 8.841 -30.327 3.867) 31.825 7.943 ( 5.878 -6.434 -1.311) 8.813 8.207 ( -1.668 -5.888 0.202) 6.123 9.841 ( 12.834 -19.539 2.225) 23.482 10.449 ( -10.292 -28.415 -0.978) 30.238 11.205 ( 7.866 18.771 -0.228) 20.354 11.505 ( -1.356 4.041 -0.955) 4.369 13.455 ( -2.066 -1.971 1.760) 3.355 15.051 ( -5.734 0.740 -13.261) 14.467 15.524 ( -5.532 7.820 10.215) 14.004 16.745 ( 13.250 7.832 3.936) 15.887 17.481 ( -7.185 9.950 -1.710) 12.391 17.768 ( -16.702 4.831 -3.552) 17.746 ======================= Grid point 98 (98/441) ======================= q-point: ( 0.19 0.14 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 25.079 7.259 2.510) 26.229 3.091 ( 19.708 12.248 12.692) 26.448 4.474 ( 48.209 1.628 3.746) 48.382 7.470 ( 4.286 30.348 -12.974) 33.282 8.285 ( -4.024 -3.488 3.384) 6.309 8.680 ( 13.577 24.681 -5.151) 28.637 9.896 ( 3.038 -7.628 -4.113) 9.184 10.080 ( 19.724 -4.779 3.759) 20.639 11.202 ( -9.929 13.739 13.411) 21.615 14.210 ( -8.994 5.324 4.022) 11.199 15.317 ( -2.901 -3.891 -7.387) 8.839 15.949 ( -0.483 -12.495 -2.239) 12.703 16.450 ( 3.373 -5.770 7.581) 10.107 17.829 ( -3.551 -17.814 -2.054) 18.280 18.885 ( 0.539 -9.853 -8.899) 13.288 ======================= Grid point 99 (99/441) ======================= q-point: (-0.35 -0.15 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -15.668 -3.448 -8.688) 18.244 3.320 ( -16.713 -9.232 -14.116) 23.744 3.770 ( -26.615 0.590 -3.663) 26.873 7.543 ( -13.845 -20.484 9.120) 26.352 8.216 ( -8.586 -7.600 1.359) 11.547 9.060 ( -3.646 -22.069 8.170) 23.814 9.620 ( -11.524 -1.984 -0.376) 11.699 9.761 ( 0.697 7.840 -1.780) 8.069 11.972 ( 12.736 -8.143 -15.345) 21.540 14.506 ( 8.560 -2.060 0.246) 8.808 15.231 ( 0.605 0.947 0.826) 1.395 15.678 ( 0.054 6.367 5.563) 8.455 16.286 ( -8.815 10.503 -4.887) 14.557 17.545 ( 5.152 13.706 1.929) 14.769 18.550 ( -0.056 11.995 -0.664) 12.014 ======================= Grid point 100 (100/441) ======================= q-point: ( 0.12 -0.45 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( -7.274 -1.992 2.345) 7.898 5.615 ( -15.312 1.568 5.241) 16.260 6.139 ( -1.264 26.173 -12.454) 29.012 7.604 ( -16.253 -0.433 8.606) 18.396 8.199 ( 2.976 0.038 -2.067) 3.624 9.263 ( -14.490 16.812 -4.780) 22.704 9.879 ( 6.033 34.064 2.454) 34.681 11.254 ( -15.436 -11.065 2.244) 19.124 11.651 ( -4.880 -10.475 -1.373) 11.637 13.538 ( 5.173 1.552 -2.679) 6.028 14.916 ( 6.409 -0.014 15.389) 16.670 15.960 ( 4.745 -9.785 -4.170) 11.647 16.829 ( -7.695 -9.045 -6.542) 13.558 17.759 ( 7.365 -7.873 3.398) 11.303 17.997 ( 16.309 1.252 10.571) 19.476 ======================= Grid point 101 (101/441) ======================= q-point: (-0.42 0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 5.661 0.153 -0.369) 5.675 4.535 ( 36.168 -0.850 0.385) 36.181 6.384 ( 42.717 -1.427 -0.615) 42.746 8.222 ( -2.656 -15.273 1.323) 15.558 8.526 ( -3.977 -21.618 -2.919) 22.173 9.634 ( 14.729 16.018 1.957) 21.848 10.240 ( 14.118 20.448 1.090) 24.872 10.517 ( 0.240 -30.576 -3.113) 30.735 11.878 ( 9.660 -14.826 2.345) 17.850 13.978 ( -9.959 -2.127 -0.626) 10.203 15.149 ( -4.900 3.715 5.532) 8.271 15.359 ( -5.466 4.930 -4.423) 8.587 16.260 ( 1.851 3.512 -1.833) 4.373 17.024 ( 0.648 16.529 0.860) 16.564 18.498 ( -9.362 9.526 4.171) 13.992 ======================= Grid point 102 (102/441) ======================= q-point: ( 0.04 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 0.000 20.591 0.000) 20.591 0.550 ( 0.000 26.493 0.000) 26.493 1.071 ( 0.000 49.239 0.000) 49.239 6.742 ( 0.000 4.167 0.000) 4.167 7.444 ( 0.000 15.741 0.000) 15.741 8.238 ( 0.000 3.513 0.000) 3.513 9.573 ( -0.000 -4.126 -0.000) 4.126 10.420 ( -0.000 -3.162 -0.000) 3.162 10.446 ( 0.000 5.914 0.000) 5.914 14.080 ( 0.000 4.351 0.000) 4.351 15.251 ( 0.000 1.527 0.000) 1.527 15.258 ( -0.000 -1.195 -0.000) 1.195 16.577 ( -0.000 -2.493 -0.000) 2.493 18.543 ( -0.000 -8.239 -0.000) 8.239 18.855 ( -0.000 -2.155 -0.000) 2.155 ======================= Grid point 103 (103/441) ======================= q-point: ( 0.50 -0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( -3.885 0.347 0.244) 3.909 4.524 ( -31.454 -1.545 0.156) 31.493 6.342 ( -41.839 -3.502 1.629) 42.017 8.827 ( 1.316 6.327 -0.083) 6.463 8.906 ( -4.224 -12.914 -4.718) 14.383 9.350 ( -17.023 -12.584 -1.116) 21.199 9.581 ( -6.307 22.396 3.259) 23.494 11.347 ( 9.765 3.251 -2.219) 10.529 11.772 ( -16.952 -18.631 2.070) 25.274 13.949 ( 7.981 -1.245 0.474) 8.092 15.056 ( 5.027 -2.754 -0.152) 5.734 15.418 ( 7.161 3.093 1.245) 7.899 16.223 ( -5.541 5.357 -1.020) 7.774 16.681 ( 0.259 1.788 1.961) 2.666 18.179 ( 9.917 -4.834 -0.083) 11.033 ======================= Grid point 104 (104/441) ======================= q-point: (-0.04 0.37 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 11.763 0.000 -3.062) 12.155 5.482 ( -2.729 -0.000 16.666) 16.888 5.636 ( 19.691 0.000 -6.492) 20.734 7.671 ( 14.758 0.000 -11.099) 18.465 8.549 ( -2.742 0.000 -7.351) 7.846 8.563 ( -7.273 0.000 0.925) 7.331 9.076 ( 12.773 -0.000 11.289) 17.047 11.488 ( 16.201 0.000 -3.395) 16.553 11.877 ( 4.880 -0.000 3.282) 5.881 13.504 ( -4.695 -0.000 2.947) 5.543 14.918 ( -8.106 0.000 -17.965) 19.709 16.172 ( -4.822 -0.000 7.418) 8.848 17.088 ( 7.393 -0.000 2.937) 7.955 17.905 ( -16.619 0.000 -11.258) 20.073 17.923 ( -8.478 0.000 -3.253) 9.080 ======================= Grid point 105 (105/441) ======================= q-point: ( 0.42 0.08 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 14.921 0.581 1.549) 15.013 3.595 ( 8.422 4.140 5.726) 10.994 3.701 ( 34.625 -2.483 -2.195) 34.784 8.167 ( 7.930 4.882 -0.155) 9.313 8.362 ( 11.905 8.391 -1.852) 14.682 8.850 ( 15.754 -11.826 0.645) 19.709 9.439 ( -10.046 -3.545 -0.026) 10.654 10.873 ( 10.590 22.616 -5.401) 25.550 11.953 ( -8.377 -6.668 7.286) 12.951 14.499 ( -10.263 -0.964 -1.098) 10.366 15.426 ( 6.702 5.861 1.186) 8.982 15.559 ( -3.234 -1.269 -3.818) 5.162 15.928 ( 5.218 -4.741 1.228) 7.157 17.084 ( -7.626 -5.352 0.909) 9.360 18.168 ( 2.475 -3.980 0.221) 4.692 ======================= Grid point 106 (106/441) ======================= q-point: (-0.12 -0.22 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -22.600 -15.773 -14.502) 31.143 2.677 ( -37.413 -4.829 -8.958) 38.772 4.447 ( -53.382 0.086 -8.287) 54.021 6.251 ( -0.248 -19.050 19.079) 26.962 8.185 ( -22.486 -3.280 16.515) 28.092 8.610 ( 8.844 8.770 -10.820) 16.499 9.668 ( 3.548 -14.049 -5.433) 15.476 10.277 ( -6.557 5.200 3.140) 8.939 10.987 ( -0.918 0.408 -12.728) 12.768 14.059 ( 9.080 -1.842 -6.878) 11.539 15.463 ( 3.515 2.221 6.872) 8.032 16.469 ( 2.317 9.118 0.359) 9.415 16.650 ( -1.566 3.536 -4.911) 6.251 18.401 ( 4.631 8.889 1.940) 10.209 19.152 ( 7.194 2.838 16.510) 18.231 ======================= Grid point 107 (107/441) ======================= q-point: ( 0.34 -0.51 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( -0.054 -2.981 0.118) 2.984 5.919 ( -4.374 0.408 0.662) 4.442 7.930 ( -5.423 27.042 -1.496) 27.621 8.333 ( -7.739 4.274 2.457) 9.176 8.494 ( -1.553 14.741 -1.877) 14.941 10.247 ( -2.894 -22.485 1.048) 22.694 10.485 ( 4.971 -16.441 -1.005) 17.206 10.726 ( -5.701 18.514 -1.250) 19.412 12.196 ( 1.588 22.530 1.428) 22.631 13.536 ( 2.541 1.609 -0.716) 3.092 15.042 ( 0.399 0.990 4.554) 4.678 15.218 ( 1.241 -6.135 -3.339) 7.094 16.600 ( -13.627 1.191 -1.999) 13.824 16.973 ( 2.105 -12.833 0.056) 13.004 17.437 ( 20.141 -10.139 2.460) 22.683 ======================= Grid point 108 (108/441) ======================= q-point: (-0.19 0.19 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 19.447 -16.419 -0.000) 25.451 3.544 ( 47.568 -3.200 -0.000) 47.676 5.382 ( 49.926 0.360 -0.000) 49.928 6.878 ( -12.150 -32.397 -0.000) 34.601 8.139 ( -5.195 7.916 0.000) 9.468 8.858 ( 8.626 -6.647 -0.000) 10.890 10.024 ( 5.101 -27.802 -0.000) 28.266 10.332 ( 11.034 9.572 -0.000) 14.607 10.892 ( 13.190 5.023 -0.000) 14.113 13.859 ( -5.945 -3.829 0.000) 7.071 15.620 ( 1.687 3.956 0.000) 4.301 16.156 ( -7.287 10.717 0.000) 12.960 16.446 ( 3.095 8.177 0.000) 8.743 18.133 ( -3.788 13.267 0.000) 13.797 19.215 ( -9.632 5.212 0.000) 10.952 ======================= Grid point 109 (109/441) ======================= q-point: ( 0.27 -0.10 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -12.073 16.757 2.282) 20.779 2.360 ( -28.065 14.158 7.771) 32.380 3.064 ( -10.539 9.380 10.972) 17.873 7.478 ( -14.178 12.518 -2.820) 19.122 8.428 ( 4.514 5.378 -7.320) 10.144 9.096 ( -11.320 -11.170 -1.324) 15.958 9.593 ( 4.388 35.664 -0.823) 35.943 9.820 ( -0.885 -1.020 -7.722) 7.840 11.349 ( 2.744 6.165 24.680) 25.586 14.635 ( 7.318 9.015 2.090) 11.798 15.136 ( -8.298 -1.373 -2.609) 8.806 15.634 ( -8.116 0.658 4.904) 9.505 16.212 ( 1.135 -8.301 -4.391) 9.459 17.497 ( 1.288 -20.552 5.081) 21.210 18.548 ( -3.772 -9.297 -2.515) 10.344 ======================= Grid point 110 (110/441) ======================= q-point: (-0.27 -0.39 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( -5.039 0.103 0.817) 5.106 4.948 ( -29.613 -4.187 5.485) 30.407 6.825 ( -26.812 -5.371 9.181) 28.845 7.361 ( -0.303 -23.483 -17.716) 29.418 8.284 ( 1.300 -7.385 2.586) 7.932 9.685 ( -12.245 -28.568 -3.555) 31.284 10.317 ( -4.486 -4.859 0.857) 6.669 10.746 ( -11.239 -10.634 4.471) 16.105 11.257 ( -5.354 19.216 -1.340) 19.993 13.787 ( 9.396 -0.524 -0.740) 9.440 14.659 ( -0.897 -5.374 3.152) 6.294 15.672 ( 4.305 9.069 8.182) 12.951 16.841 ( -5.072 7.349 -7.451) 11.629 17.440 ( 0.748 13.106 7.030) 14.891 17.927 ( 17.224 0.403 8.353) 19.147 ======================= Grid point 111 (111/441) ======================= q-point: ( 0.19 0.31 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 6.358 -0.205 -0.880) 6.422 5.054 ( 31.022 2.696 -5.741) 31.664 6.986 ( 32.106 7.259 1.512) 32.951 7.074 ( -8.963 23.531 3.332) 25.399 8.288 ( 1.014 4.562 2.205) 5.168 9.583 ( 11.239 27.389 6.818) 30.380 10.385 ( 7.353 3.231 -5.947) 9.994 10.809 ( 6.907 14.293 -2.317) 16.042 11.241 ( 8.872 -17.192 0.457) 19.352 13.755 ( -8.116 2.001 2.509) 8.727 14.786 ( -3.030 2.112 -10.210) 10.857 15.781 ( -3.506 -12.135 -3.491) 13.105 16.702 ( 4.049 -6.845 7.702) 11.071 17.553 ( -2.615 -13.807 -5.292) 15.016 18.118 ( -16.756 -0.685 -11.939) 20.586 ======================= Grid point 113 (112/441) ======================= q-point: ( 0.11 -0.28 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -18.733 15.275 -4.794) 24.642 3.546 ( -45.936 3.627 -0.260) 46.079 5.395 ( -48.740 -0.600 -1.220) 48.758 6.855 ( 9.443 32.333 2.535) 33.779 8.165 ( 5.634 -7.945 -2.841) 10.146 8.807 ( -10.220 7.947 5.270) 13.978 10.026 ( -4.437 25.019 -0.190) 25.410 10.331 ( -10.745 -7.510 0.123) 13.110 10.932 ( -11.746 -5.188 -4.226) 13.518 13.883 ( 6.660 3.749 -2.617) 8.078 15.523 ( 1.276 -3.905 9.575) 10.419 16.182 ( 4.988 -11.803 -1.889) 12.953 16.487 ( -2.744 -6.768 -4.477) 8.566 18.121 ( 4.058 -13.281 1.438) 13.962 19.134 ( 9.686 -4.521 8.510) 13.663 ======================= Grid point 114 (113/441) ======================= q-point: (-0.43 0.43 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( -0.073 3.018 0.000) 3.019 5.926 ( 4.171 -0.153 -0.000) 4.174 7.915 ( 7.113 -27.266 -0.000) 28.178 8.361 ( 2.285 -2.875 -0.000) 3.672 8.473 ( 6.277 -16.113 -0.000) 17.293 10.258 ( 3.679 22.905 0.000) 23.198 10.474 ( -6.722 15.363 0.000) 16.769 10.715 ( 6.301 -18.395 -0.000) 19.444 12.210 ( -2.126 -21.928 -0.000) 22.031 13.528 ( -2.500 -1.880 0.000) 3.128 15.108 ( 0.709 1.368 0.000) 1.540 15.164 ( -2.593 4.370 0.000) 5.081 16.581 ( 14.652 -2.207 -0.000) 14.817 16.974 ( -3.278 13.140 0.000) 13.543 17.460 ( -20.583 10.744 0.000) 23.219 ======================= Grid point 116 (114/441) ======================= q-point: (-0.51 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -13.127 2.020 -8.416) 15.723 3.565 ( -3.978 4.746 7.995) 10.113 3.727 ( -38.763 -0.366 -3.916) 38.962 8.186 ( -11.092 -9.609 -1.452) 14.747 8.351 ( -9.409 -5.366 -1.266) 10.905 8.861 ( -12.789 10.463 -0.339) 16.527 9.402 ( 6.724 4.138 3.778) 8.753 10.791 ( -11.654 -27.776 3.536) 30.329 12.065 ( 9.833 15.038 -4.832) 18.606 14.480 ( 10.150 -0.752 0.976) 10.225 15.422 ( -9.303 -2.640 1.954) 9.866 15.514 ( 5.037 -5.852 0.568) 7.742 15.958 ( -4.909 6.338 -1.827) 8.222 17.040 ( 7.239 6.831 4.930) 11.107 18.224 ( -0.254 4.238 -5.100) 6.636 ======================= Grid point 117 (115/441) ======================= q-point: (-0.04 -0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( -10.009 -0.000 3.583) 10.631 5.497 ( -22.168 -0.000 8.346) 23.687 5.834 ( 8.015 0.000 -21.181) 22.647 7.477 ( -19.171 -0.000 9.657) 21.466 8.382 ( -0.682 -0.000 10.849) 10.870 8.560 ( 4.114 -0.000 0.909) 4.214 9.297 ( -5.615 0.000 -12.000) 13.249 11.428 ( -17.060 -0.000 3.108) 17.341 11.934 ( -4.008 0.000 -2.865) 4.926 13.563 ( 5.048 0.000 -3.091) 5.919 14.641 ( 3.809 -0.000 11.316) 11.940 16.204 ( 2.176 -0.000 4.603) 5.092 17.154 ( -7.232 0.000 -4.158) 8.342 17.710 ( 12.825 -0.000 8.865) 15.591 17.851 ( 8.062 -0.000 4.508) 9.237 ======================= Grid point 118 (116/441) ======================= q-point: ( 0.42 0.25 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 3.949 -0.331 -0.237) 3.970 4.528 ( 31.931 1.213 -0.295) 31.955 6.378 ( 42.996 2.319 -1.948) 43.102 8.765 ( -3.999 14.622 6.670) 16.561 8.865 ( 5.560 -4.514 -1.075) 7.242 9.329 ( 15.564 8.090 1.148) 17.579 9.649 ( 8.361 -20.494 -3.799) 22.457 11.291 ( -7.562 5.867 3.846) 10.315 11.824 ( 14.993 10.372 -3.465) 18.557 13.960 ( -7.915 0.374 -0.713) 7.956 15.054 ( -4.780 2.373 0.062) 5.337 15.439 ( -7.840 -1.633 -0.799) 8.048 16.205 ( 5.671 -5.004 0.860) 7.612 16.721 ( -1.447 -3.538 -2.174) 4.398 18.184 ( -8.949 2.184 -0.741) 9.241 ======================= Grid point 119 (117/441) ======================= q-point: (-0.12 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 -17.397 -23.795) 29.476 0.920 ( 0.000 -14.967 -31.683) 35.040 1.363 ( 0.000 -34.091 -34.048) 48.181 6.715 ( -0.000 -4.224 2.872) 5.107 6.930 ( -0.000 -22.128 37.615) 43.641 8.525 ( 0.000 -3.610 -24.335) 24.601 9.573 ( 0.000 4.102 0.007) 4.102 10.252 ( 0.000 10.409 5.846) 11.938 11.685 ( 0.000 22.693 -38.284) 44.504 15.028 ( -0.000 -0.521 11.558) 11.570 15.158 ( 0.000 64.228 -74.527) 98.384 15.498 ( 0.000 0.234 -13.307) 13.309 16.611 ( 0.000 3.267 -3.735) 4.962 18.468 ( 0.000 8.100 6.243) 10.226 18.876 ( 0.000 0.938 -1.680) 1.924 ======================= Grid point 120 (118/441) ======================= q-point: ( 0.34 -0.34 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( -5.874 -0.080 0.000) 5.875 4.538 ( -36.596 0.695 0.000) 36.603 6.378 ( -42.192 1.460 0.000) 42.217 8.239 ( -0.026 13.044 0.000) 13.044 8.496 ( 7.058 23.728 0.000) 24.755 9.653 ( -14.500 -15.528 0.000) 21.246 10.250 ( -14.743 -20.552 0.000) 25.293 10.488 ( 0.172 30.534 0.000) 30.534 11.900 ( -10.403 14.925 0.000) 18.193 13.972 ( 10.116 2.597 -0.000) 10.444 15.228 ( 5.076 -8.779 -0.000) 10.141 15.291 ( 5.403 -1.585 -0.000) 5.630 16.241 ( -1.805 -2.490 0.000) 3.075 17.032 ( -1.137 -16.956 -0.000) 16.994 18.537 ( 9.516 -10.365 -0.000) 14.071 ======================= Grid point 121 (119/441) ======================= q-point: (-0.20 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 7.429 2.506 -1.377) 7.961 5.699 ( 14.459 -2.114 -3.937) 15.133 5.947 ( 4.446 -27.198 8.211) 28.757 7.772 ( 9.238 2.341 -9.230) 13.267 8.123 ( 2.435 0.360 5.879) 6.374 9.189 ( 14.663 -15.480 2.884) 21.517 9.919 ( -6.857 -36.643 -1.663) 37.317 11.292 ( 15.046 12.167 -1.725) 19.427 11.627 ( 5.396 8.835 1.148) 10.416 13.498 ( -5.647 -1.661 1.556) 6.088 15.222 ( -7.560 2.531 -17.275) 19.026 15.814 ( -7.576 7.020 11.298) 15.307 16.736 ( 8.109 10.959 3.409) 14.052 17.806 ( -7.092 8.035 -1.725) 10.855 18.159 ( -18.966 -0.744 -6.498) 20.062 ======================= Grid point 122 (120/441) ======================= q-point: ( 0.26 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 19.819 7.472 3.222) 21.424 3.056 ( 16.786 11.995 14.161) 25.024 3.668 ( 33.808 2.850 6.650) 34.573 7.700 ( 15.834 14.911 -7.602) 23.041 8.266 ( 0.711 3.324 -3.593) 4.947 9.210 ( 5.114 21.082 -7.921) 23.094 9.596 ( 9.396 4.375 2.548) 10.673 9.759 ( 0.572 -2.861 -2.355) 3.750 11.650 ( -8.626 8.846 19.203) 22.834 14.497 ( -8.922 4.918 1.105) 10.248 15.253 ( 4.036 -1.185 -1.601) 4.501 15.759 ( 0.024 -5.672 -2.739) 6.298 16.214 ( 5.911 -8.186 2.584) 10.423 17.531 ( -3.990 -17.686 3.048) 18.385 18.582 ( 4.588 -12.011 -3.737) 13.389 ======================= Grid point 123 (121/441) ======================= q-point: (-0.28 -0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -21.871 -4.465 -6.481) 23.244 3.332 ( -12.379 -10.136 -12.996) 20.612 4.523 ( -43.573 -0.443 -1.202) 43.592 7.219 ( -10.012 -34.049 13.977) 38.144 8.327 ( -12.641 -4.542 -0.735) 13.453 8.618 ( -2.874 -17.776 0.788) 18.024 9.822 ( -2.613 8.150 3.993) 9.444 10.158 ( -17.664 4.789 -4.493) 18.845 11.450 ( 14.898 -12.407 -13.189) 23.449 14.277 ( 9.033 -3.269 -3.072) 10.085 15.171 ( 8.613 3.143 8.230) 12.320 15.896 ( -1.620 11.657 3.499) 12.278 16.600 ( -2.904 7.778 -8.560) 11.925 17.752 ( 4.104 15.374 6.726) 17.275 18.736 ( 3.527 7.749 6.546) 10.740 ======================= Grid point 124 (122/441) ======================= q-point: ( 0.18 -0.52 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -0.386 -4.116 0.651) 4.185 5.823 ( -2.131 2.910 2.929) 4.647 6.779 ( -4.905 28.355 -4.769) 29.169 7.916 ( -9.171 6.594 1.295) 11.370 8.209 ( 3.682 6.345 0.086) 7.337 9.894 ( -9.681 19.844 -3.350) 22.332 10.421 ( 6.930 28.318 2.168) 29.234 11.204 ( -7.261 -16.403 -0.245) 17.940 11.481 ( 0.594 -6.989 1.545) 7.182 13.494 ( 2.004 1.462 -2.168) 3.295 14.836 ( 3.914 2.401 9.514) 10.564 15.665 ( 3.137 -10.743 -4.863) 12.202 16.848 ( -11.939 -7.559 -7.001) 15.770 17.428 ( 8.907 -8.259 4.135) 12.832 17.685 ( 11.335 -5.402 4.886) 13.474 ======================= Grid point 125 (123/441) ======================= q-point: (-0.35 0.19 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 10.075 -4.263 -0.844) 10.973 3.733 ( 38.481 -4.927 -1.800) 38.837 5.451 ( 47.880 -2.402 -0.394) 47.942 8.084 ( -9.340 -12.679 2.085) 15.885 8.161 ( -0.238 -16.032 -1.039) 16.067 9.486 ( 12.270 -13.671 -0.162) 18.371 9.960 ( 3.972 -7.419 2.003) 8.650 10.264 ( 20.980 14.550 -0.814) 25.544 11.362 ( 3.465 -20.676 -2.017) 21.061 14.096 ( -9.811 -5.589 -1.507) 11.391 15.334 ( -3.749 4.216 8.193) 9.948 15.634 ( -5.553 11.097 -3.032) 12.774 16.303 ( 2.307 3.951 -3.939) 6.037 17.403 ( -0.793 20.039 0.505) 20.061 18.812 ( -2.256 10.476 5.705) 12.140 ======================= Grid point 126 (124/441) ======================= q-point: ( 0.11 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -26.105 16.793 0.000) 31.040 1.560 ( -31.230 20.670 0.000) 37.450 2.186 ( -29.289 28.438 0.000) 40.824 7.221 ( -20.836 3.383 0.000) 21.109 7.970 ( -6.178 24.171 0.000) 24.948 8.325 ( 0.891 3.886 0.000) 3.987 9.510 ( -6.117 -5.921 0.000) 8.514 10.266 ( 3.888 -6.856 -0.000) 7.881 10.605 ( 0.791 10.359 0.000) 10.390 14.179 ( 3.340 8.133 0.000) 8.793 15.281 ( -5.550 -2.306 0.000) 6.010 15.715 ( -29.335 -12.728 0.000) 31.978 16.493 ( 1.557 -4.599 -0.000) 4.856 18.285 ( 1.142 -15.680 -0.000) 15.721 18.972 ( -15.427 -12.046 0.000) 19.573 ======================= Grid point 127 (125/441) ======================= q-point: (-0.43 -0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -2.921 0.935 0.204) 3.074 5.061 ( -28.485 -3.909 1.467) 28.790 7.002 ( -35.438 -7.309 3.467) 36.350 8.507 ( 3.757 -18.035 -9.959) 20.942 8.743 ( 0.427 -14.987 2.000) 15.126 9.721 ( -16.397 11.179 1.493) 19.901 10.205 ( -5.159 25.502 2.391) 26.128 11.069 ( 6.766 -12.142 -6.062) 15.164 11.606 ( -15.623 -28.165 5.444) 32.665 13.778 ( 8.207 -0.372 0.959) 8.271 14.935 ( -0.973 -5.084 -1.143) 5.301 15.341 ( 6.213 2.932 1.652) 7.065 16.542 ( -7.987 11.391 -2.591) 14.151 16.808 ( -1.274 9.482 2.863) 9.986 17.824 ( 18.038 -2.347 2.801) 18.405 ======================= Grid point 130 (126/441) ======================= q-point: (-0.05 -0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -24.496 0.000 -13.999) 28.214 3.457 ( -44.051 0.000 0.121) 44.052 5.512 ( -52.142 0.000 -0.816) 52.148 5.993 ( 5.604 -0.000 6.215) 8.368 8.478 ( -11.030 -0.000 12.273) 16.501 8.639 ( 3.231 0.000 -2.905) 4.345 9.278 ( 11.112 0.000 -9.045) 14.328 10.489 ( -10.848 -0.000 3.249) 11.324 11.189 ( -13.982 0.000 -7.967) 16.093 13.877 ( 7.565 0.000 -4.626) 8.867 15.384 ( 6.572 -0.000 14.078) 15.537 16.478 ( 4.489 0.000 -4.494) 6.352 16.752 ( -3.693 0.000 -0.141) 3.696 18.381 ( 6.508 -0.000 1.504) 6.680 18.937 ( 14.690 -0.000 17.754) 23.043 ======================= Grid point 131 (127/441) ======================= q-point: (-0.59 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 0.676 -0.797 -0.015) 1.045 5.902 ( 7.815 1.300 -0.046) 7.923 8.242 ( 17.603 7.170 -1.294) 19.051 8.541 ( -9.265 6.866 3.257) 11.983 8.845 ( -3.642 7.151 -1.255) 8.122 9.845 ( 1.791 -13.901 0.522) 14.025 10.107 ( 5.936 -5.618 -1.264) 8.270 11.049 ( -1.983 4.835 -0.129) 5.227 12.479 ( 4.676 10.825 -0.393) 11.798 13.558 ( -2.552 0.623 -0.296) 2.643 15.064 ( 1.379 1.507 0.813) 2.199 15.135 ( -1.241 -2.304 -0.403) 2.647 16.710 ( 0.616 -3.658 1.957) 4.194 16.835 ( 14.901 -7.866 -0.072) 16.850 17.091 ( -18.483 4.261 -1.879) 19.060 ======================= Grid point 132 (128/441) ======================= q-point: (-0.13 0.13 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 23.576 -20.877 -0.000) 31.490 2.529 ( 48.026 -2.943 -0.000) 48.116 4.227 ( 63.775 -2.362 -0.000) 63.819 6.663 ( -16.316 -16.868 0.000) 23.468 8.357 ( 1.767 6.798 0.000) 7.024 8.582 ( 13.119 0.130 -0.000) 13.120 9.545 ( -4.078 -15.407 -0.000) 15.938 10.349 ( 3.172 5.585 -0.000) 6.423 10.687 ( 13.195 1.268 -0.000) 13.256 13.893 ( -4.699 -2.701 0.000) 5.420 15.598 ( 6.084 1.667 -0.000) 6.308 16.420 ( -5.496 2.823 0.000) 6.179 16.594 ( 2.699 11.254 0.000) 11.573 18.427 ( -3.832 7.558 0.000) 8.474 19.511 ( -8.266 7.081 0.000) 10.884 ======================= Grid point 133 (129/441) ======================= q-point: ( 0.33 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -18.067 10.018 -6.502) 21.658 3.039 ( -12.146 9.325 12.300) 19.641 3.659 ( -39.229 4.262 2.223) 39.522 8.038 ( -16.296 11.790 -1.900) 20.203 8.395 ( 3.682 3.413 -3.997) 6.417 9.139 ( -17.485 -14.543 -0.650) 22.753 9.471 ( 4.549 -9.447 3.485) 11.049 10.563 ( 0.185 42.110 -11.451) 43.639 11.461 ( -1.715 4.492 15.552) 16.278 14.571 ( 9.662 1.125 -0.563) 9.744 15.300 ( -6.093 2.914 -0.562) 6.778 15.721 ( 1.757 -1.225 -0.953) 2.345 16.052 ( -3.126 -7.284 -1.204) 8.018 17.073 ( 2.802 -15.709 6.005) 17.050 18.437 ( -4.551 -9.136 -3.844) 10.907 ======================= Grid point 134 (130/441) ======================= q-point: (-0.20 -0.46 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -6.560 0.502 2.187) 6.933 5.389 ( -21.916 -2.721 6.153) 22.925 6.631 ( 11.197 -16.810 -11.184) 23.087 7.420 ( -24.347 -6.109 -0.795) 25.115 8.111 ( 2.886 -4.534 6.597) 8.509 9.369 ( -11.607 -27.379 0.582) 29.744 9.858 ( 5.609 -19.073 -2.317) 20.015 11.188 ( -18.084 8.251 1.191) 19.913 11.691 ( -2.892 13.896 -0.801) 14.216 13.606 ( 7.816 -0.390 0.353) 7.833 14.609 ( -3.398 -3.646 -1.169) 5.119 15.801 ( 0.962 8.553 12.236) 14.960 17.111 ( -8.415 5.874 -7.633) 12.790 17.579 ( 15.707 4.311 5.359) 17.147 17.645 ( 1.562 3.311 6.867) 7.782 ======================= Grid point 135 (131/441) ======================= q-point: ( 0.26 0.24 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 5.680 0.259 0.457) 5.704 4.454 ( 34.294 3.118 -1.858) 34.485 6.312 ( 42.223 3.103 -3.400) 42.473 7.815 ( -9.873 24.680 3.837) 26.857 8.376 ( 4.569 9.756 4.498) 11.674 9.847 ( 17.812 -13.192 -1.981) 22.253 10.011 ( 8.201 31.218 3.900) 32.512 10.640 ( 14.347 -18.053 -0.053) 23.060 11.334 ( -4.183 22.095 -3.513) 22.761 13.973 ( -9.406 1.724 1.209) 9.639 14.900 ( -4.058 2.973 -7.457) 8.995 15.628 ( -4.112 -9.545 -0.044) 10.393 16.509 ( 1.575 -7.674 4.863) 9.220 17.273 ( -1.914 -16.688 -5.030) 17.535 18.355 ( -11.040 -3.973 -9.658) 15.197 ======================= Grid point 136 (132/441) ======================= q-point: (-0.28 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 -9.555 -17.566) 19.997 1.993 ( 0.000 -12.464 -20.087) 23.640 3.011 ( 0.000 -16.764 -22.567) 28.112 6.987 ( -0.000 -12.427 4.375) 13.174 7.635 ( -0.000 -40.202 30.393) 50.398 9.078 ( 0.000 -6.868 -9.249) 11.520 9.251 ( 0.000 11.526 -0.337) 11.531 9.911 ( 0.000 1.919 -0.153) 1.925 11.904 ( 0.000 0.550 -23.322) 23.329 14.862 ( 0.000 7.323 -20.723) 21.979 14.884 ( -0.000 -1.359 8.130) 8.243 15.699 ( 0.000 0.903 -10.510) 10.549 16.333 ( 0.000 11.515 3.520) 12.041 17.905 ( 0.000 12.948 2.410) 13.171 18.699 ( 0.000 9.603 -3.761) 10.313 ======================= Grid point 137 (133/441) ======================= q-point: ( 0.18 -0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -12.373 4.690 -1.251) 13.291 4.472 ( -41.314 1.909 1.427) 41.382 6.232 ( -32.525 6.343 -2.078) 33.203 7.369 ( 4.101 26.880 5.124) 27.670 8.011 ( 1.112 1.495 -6.359) 6.626 9.254 ( -7.178 20.641 -0.623) 21.863 10.336 ( -15.535 -12.188 3.812) 20.110 10.779 ( -10.079 26.727 -0.000) 28.565 10.987 ( -6.965 -7.830 -1.517) 10.589 13.821 ( 7.807 3.871 -1.671) 8.873 15.363 ( 4.465 -5.588 12.019) 13.987 15.816 ( 3.936 -14.346 -3.957) 15.393 16.410 ( -0.958 -4.655 -5.035) 6.924 17.748 ( 2.719 -16.160 1.804) 16.486 18.821 ( 12.936 -4.957 7.214) 15.619 ======================= Grid point 138 (134/441) ======================= q-point: (-0.36 0.36 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 2.828 3.858 -0.000) 4.784 5.720 ( 17.979 0.874 -0.000) 18.000 7.181 ( 6.773 -29.499 -0.000) 30.266 8.060 ( 4.250 -12.002 -0.000) 12.733 8.141 ( 12.102 -4.552 -0.000) 12.930 10.048 ( 9.865 -25.330 -0.000) 27.183 10.608 ( 10.353 19.977 0.000) 22.500 10.860 ( -4.252 9.673 0.000) 10.566 11.683 ( 4.423 -25.962 -0.000) 26.336 13.573 ( -6.297 -2.531 0.000) 6.787 15.204 ( -2.913 5.892 0.000) 6.573 15.357 ( -3.556 8.663 0.000) 9.364 16.380 ( 6.869 2.843 -0.000) 7.434 17.336 ( -3.446 14.992 0.000) 15.383 18.068 ( -20.795 7.857 0.000) 22.230 ======================= Grid point 139 (135/441) ======================= q-point: ( 0.10 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 32.260 10.878 5.338) 34.461 2.096 ( 18.694 23.483 12.044) 32.342 3.233 ( 54.371 9.002 11.109) 56.220 7.160 ( -2.043 25.144 -18.872) 31.505 8.072 ( 24.576 5.733 -15.238) 29.480 8.449 ( -7.405 0.290 13.128) 15.075 9.700 ( 10.376 1.081 2.612) 10.755 10.105 ( 2.142 -7.403 -6.298) 9.952 10.873 ( -9.989 6.881 21.949) 25.077 14.162 ( -7.608 5.483 7.009) 11.708 15.416 ( 6.044 -3.268 0.144) 6.873 16.173 ( 11.977 -15.866 1.935) 19.973 16.446 ( -3.176 -5.307 1.844) 6.454 18.247 ( -1.989 -15.025 -0.727) 15.174 19.180 ( 8.512 -13.772 -6.364) 17.396 ======================= Grid point 140 (136/441) ======================= q-point: (-0.44 -0.23 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( -15.839 0.196 -6.048) 16.956 3.663 ( -6.480 -0.318 0.293) 6.495 4.579 ( -44.652 -1.263 -0.954) 44.680 8.166 ( -16.112 -22.564 3.560) 27.954 8.409 ( -5.442 -1.410 -5.421) 7.809 9.164 ( -1.455 6.637 5.989) 9.057 9.686 ( -11.504 18.377 -3.657) 21.987 10.324 ( -14.852 -40.430 2.564) 43.148 11.997 ( 14.317 0.506 -5.835) 15.468 14.305 ( 8.883 1.495 1.918) 9.210 15.199 ( 6.924 -9.442 1.802) 11.847 15.562 ( -3.244 2.088 1.972) 4.333 16.254 ( -4.248 12.665 -2.479) 13.586 17.082 ( 7.988 11.689 4.487) 14.852 18.343 ( 1.043 6.642 -0.743) 6.764 ======================= Grid point 142 (137/441) ======================= q-point: (-0.52 0.18 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 9.266 -0.269 0.492) 9.283 3.932 ( 26.227 -2.122 -1.720) 26.369 5.513 ( 46.546 -0.212 0.057) 46.546 8.513 ( 6.056 -10.867 -0.873) 12.471 8.953 ( 11.568 -18.668 -0.600) 21.969 9.082 ( -2.705 10.794 3.462) 11.654 9.489 ( 15.543 20.503 0.017) 25.728 11.241 ( -3.419 -27.704 -2.199) 28.001 11.711 ( 9.570 8.405 0.942) 12.771 14.149 ( -8.710 2.208 0.744) 9.016 15.215 ( -9.400 -0.790 1.619) 9.571 15.530 ( -4.676 -2.614 -2.870) 6.077 16.111 ( 4.198 5.234 0.563) 6.733 16.792 ( -2.817 6.522 -2.024) 7.387 18.344 ( -0.071 5.439 3.573) 6.509 ======================= Grid point 143 (138/441) ======================= q-point: (-0.05 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -22.504 0.000 -14.977) 27.032 1.006 ( -26.624 0.000 -25.284) 36.717 1.783 ( -58.151 0.000 -31.264) 66.023 6.645 ( 2.816 -0.000 30.122) 30.254 7.426 ( -42.528 -0.000 36.842) 56.268 8.483 ( -0.025 0.000 -22.229) 22.229 9.642 ( -1.331 0.000 -0.567) 1.447 10.339 ( 3.385 -0.000 5.974) 6.866 11.233 ( 42.643 0.000 -39.934) 58.422 14.327 ( 24.717 0.000 -22.471) 33.405 15.390 ( -3.037 0.000 -7.205) 7.819 16.626 ( 2.075 0.000 -4.160) 4.649 16.687 ( -0.173 -0.000 2.103) 2.111 18.622 ( 1.547 0.000 -0.806) 1.744 19.512 ( -20.877 -0.000 29.901) 36.468 ======================= Grid point 144 (139/441) ======================= q-point: ( 0.41 -0.41 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( -3.075 -0.930 0.000) 3.213 5.175 ( -29.433 -2.040 0.000) 29.504 7.162 ( -36.735 -0.970 0.000) 36.748 8.594 ( -3.725 15.897 0.000) 16.327 8.828 ( 7.819 19.983 0.000) 21.458 9.588 ( -11.412 -12.712 0.000) 17.083 10.043 ( -9.330 -20.939 -0.000) 22.923 10.980 ( 1.898 17.573 0.000) 17.675 12.276 ( -10.950 0.043 0.000) 10.950 13.806 ( 8.648 -0.124 -0.000) 8.649 15.052 ( 0.353 -3.754 -0.000) 3.770 15.198 ( 5.115 3.030 -0.000) 5.945 16.287 ( -5.422 1.595 0.000) 5.652 16.772 ( -0.691 -9.698 -0.000) 9.723 18.065 ( 17.537 -9.448 -0.000) 19.921 ======================= Grid point 145 (140/441) ======================= q-point: (-0.13 0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 21.787 -3.977 0.933) 22.166 5.199 ( 34.502 -0.240 -3.706) 34.702 5.563 ( -12.545 -15.421 8.183) 21.498 7.419 ( 33.280 -0.087 -9.436) 34.592 8.273 ( -2.236 15.838 6.048) 17.100 8.773 ( 2.178 -7.176 -0.915) 7.555 9.306 ( -4.595 -33.084 0.269) 33.402 11.134 ( 18.849 5.832 -2.359) 19.871 11.606 ( 11.211 4.887 2.662) 12.516 13.593 ( -6.398 -0.991 0.988) 6.550 15.419 ( -6.936 2.006 -18.289) 19.663 16.078 ( -7.766 3.619 10.843) 13.819 16.817 ( 5.722 8.734 1.979) 10.627 18.083 ( -7.308 4.984 -1.790) 9.025 18.503 ( -19.757 -2.247 -8.453) 21.607 ======================= Grid point 147 (141/441) ======================= q-point: (-0.21 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -14.206 -7.607 -7.902) 17.948 3.605 ( -32.472 -5.501 -3.948) 33.170 5.388 ( -43.324 0.367 3.069) 43.434 6.676 ( -7.075 -32.218 6.719) 33.663 8.374 ( 9.002 7.445 -7.829) 14.063 8.538 ( -19.385 -15.840 7.465) 26.123 10.038 ( -4.571 -5.688 -0.094) 7.297 10.322 ( -6.063 -5.962 0.126) 8.504 11.205 ( -3.465 5.524 -10.240) 12.140 14.032 ( 8.968 -2.891 -4.677) 10.519 15.045 ( 9.725 2.428 14.415) 17.557 16.161 ( 1.545 12.994 3.518) 13.550 16.732 ( -0.564 3.431 -7.227) 8.019 17.975 ( 4.548 13.611 7.661) 16.267 18.679 ( 10.933 0.567 11.941) 16.200 ======================= Grid point 148 (142/441) ======================= q-point: ( 0.25 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 1.906 -3.434 -0.408) 3.948 5.821 ( 8.775 3.002 -0.778) 9.307 7.433 ( -2.393 27.031 -0.175) 27.137 8.137 ( 10.935 11.364 2.940) 16.042 8.340 ( -5.970 8.698 -0.731) 10.575 10.404 ( 1.675 15.123 0.668) 15.230 10.544 ( 2.814 -1.510 -1.113) 3.382 10.876 ( 0.060 -21.344 -1.495) 21.396 11.570 ( 6.476 23.332 0.387) 24.217 13.529 ( -2.825 1.151 -1.290) 3.312 14.857 ( 1.906 4.946 4.569) 6.998 15.421 ( 0.739 -9.051 -4.506) 10.137 16.920 ( -3.286 -7.606 3.099) 8.847 17.143 ( 1.232 -6.479 -1.773) 6.829 17.362 ( 0.543 -10.040 -3.136) 10.532 ======================= Grid point 149 (143/441) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 23.878 -10.445 1.136) 26.088 2.882 ( 27.949 -11.842 -9.713) 31.870 4.406 ( 52.290 -3.494 -3.068) 52.497 7.678 ( -1.838 -27.190 9.022) 28.707 8.218 ( -7.704 1.705 -3.525) 8.642 8.775 ( 14.025 -22.143 4.441) 26.584 9.969 ( 4.169 6.661 3.439) 8.577 10.025 ( 19.082 5.093 -2.078) 19.859 10.980 ( -2.471 -14.834 -9.865) 17.985 14.142 ( -8.341 -7.037 -2.972) 11.310 15.431 ( 2.308 3.896 4.705) 6.530 15.978 ( -2.111 13.156 0.953) 13.358 16.332 ( 2.384 4.460 -4.864) 7.017 17.845 ( -2.389 19.346 0.171) 19.494 19.030 ( 2.792 11.656 6.075) 13.437 ======================= Grid point 150 (144/441) ======================= q-point: ( 0.17 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -32.581 13.861 0.000) 35.407 2.420 ( -15.749 17.652 0.000) 23.656 3.343 ( -48.239 9.777 0.000) 49.220 7.691 ( -13.970 9.312 0.000) 16.789 8.307 ( 6.137 1.611 -0.000) 6.345 8.668 ( -1.518 36.205 0.000) 36.237 9.617 ( -16.991 -6.598 0.000) 18.227 10.030 ( 2.457 -8.914 -0.000) 9.247 10.851 ( -0.936 14.073 0.000) 14.104 14.263 ( 7.028 9.622 -0.000) 11.916 15.358 ( -7.020 -3.038 0.000) 7.649 15.891 ( -11.894 -9.062 0.000) 14.953 16.323 ( 3.949 -5.817 -0.000) 7.030 17.879 ( 1.501 -20.858 -0.000) 20.912 18.951 ( -9.583 -13.294 0.000) 16.388 ======================= Grid point 151 (145/441) ======================= q-point: (-0.36 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( -3.272 1.861 0.391) 3.784 5.476 ( -22.165 -4.466 2.176) 22.715 7.328 ( -15.229 -15.476 2.935) 21.910 8.091 ( -2.087 -16.103 -10.676) 19.433 8.394 ( 3.201 -13.670 4.119) 14.632 10.216 ( -13.550 2.577 1.871) 13.919 10.567 ( 3.005 -13.105 -1.670) 13.549 10.864 ( 0.866 20.906 -0.184) 20.925 11.332 ( -16.142 -25.171 2.042) 29.972 13.608 ( 7.393 -0.970 1.174) 7.548 14.892 ( -4.769 -4.737 -5.303) 8.562 15.323 ( 2.711 4.698 6.379) 8.374 16.936 ( -9.056 9.659 -6.005) 14.538 17.095 ( -2.856 12.557 3.270) 13.286 17.427 ( 18.344 1.191 5.557) 19.204 ======================= Grid point 152 (146/441) ======================= q-point: ( 0.10 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 15.055 7.063 3.888) 17.078 4.379 ( 41.069 2.507 -3.724) 41.314 6.145 ( 21.769 8.334 4.838) 23.806 6.785 ( 8.780 19.679 -5.286) 22.188 8.179 ( -0.258 -6.009 5.826) 8.374 8.883 ( 7.270 14.469 -2.488) 16.382 10.047 ( -1.791 29.453 -0.786) 29.518 10.572 ( 15.827 -7.340 -2.651) 17.646 11.265 ( 12.777 -10.197 4.352) 16.917 13.796 ( -7.399 2.789 3.047) 8.474 15.178 ( -6.738 -2.732 -16.614) 18.135 16.138 ( -3.704 -12.013 0.817) 12.598 16.639 ( 2.555 -6.177 6.471) 9.304 17.982 ( -4.932 -11.801 -3.904) 13.373 18.673 ( -15.109 0.196 -13.538) 20.288 ======================= Grid point 153 (147/441) ======================= q-point: (-0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 -1.412 -8.863) 8.974 2.592 ( 0.000 -3.571 -8.467) 9.190 3.629 ( 0.000 -1.957 -7.383) 7.638 7.551 ( -0.000 -18.139 3.378) 18.451 8.299 ( -0.000 -5.680 3.040) 6.442 8.679 ( 0.000 16.669 -1.181) 16.711 9.767 ( 0.000 4.604 -0.991) 4.710 10.012 ( -0.000 -36.703 13.352) 39.057 12.265 ( 0.000 4.494 -17.078) 17.660 14.840 ( -0.000 -1.726 3.626) 4.016 15.028 ( 0.000 -2.746 -2.638) 3.808 15.717 ( -0.000 7.479 8.303) 11.175 15.790 ( 0.000 1.760 -4.946) 5.250 17.422 ( 0.000 10.547 -1.230) 10.618 18.320 ( 0.000 10.876 -5.372) 12.130 ======================= Grid point 155 (148/441) ======================= q-point: (-0.52 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 1.535 1.261 0.142) 1.991 5.664 ( 19.471 1.667 0.103) 19.542 7.831 ( 28.364 -0.767 -2.375) 28.474 8.554 ( -1.479 -16.181 6.546) 17.517 8.794 ( -1.826 -14.666 -5.731) 15.851 9.762 ( 6.638 12.837 0.237) 14.454 10.153 ( 3.838 16.892 1.539) 17.390 10.986 ( 0.652 -12.350 -1.346) 12.441 12.439 ( 6.609 -4.198 0.897) 7.881 13.655 ( -6.770 -0.449 -0.372) 6.795 15.058 ( 1.325 0.733 1.079) 1.859 15.140 ( -2.159 0.463 -1.118) 2.475 16.439 ( 9.610 -4.021 -1.041) 10.469 16.763 ( -0.443 8.626 1.192) 8.719 17.660 ( -21.563 8.768 1.057) 23.301 ======================= Grid point 156 (149/441) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 27.188 -0.000 -0.000) 27.188 1.577 ( 44.464 -0.000 -0.000) 44.464 2.861 ( 70.140 -0.000 -0.000) 70.140 6.783 ( -12.364 0.000 0.000) 12.364 8.320 ( 5.635 -0.000 -0.000) 5.635 8.345 ( 12.118 -0.000 -0.000) 12.118 9.541 ( -6.332 0.000 0.000) 6.332 10.400 ( -1.314 0.000 0.000) 1.314 10.475 ( 7.968 -0.000 -0.000) 7.968 13.947 ( -3.870 0.000 0.000) 3.870 15.470 ( 7.881 -0.000 -0.000) 7.881 16.535 ( -3.476 0.000 0.000) 3.476 16.708 ( 0.243 -0.000 -0.000) 0.243 18.573 ( -2.775 0.000 0.000) 2.775 19.794 ( -8.344 0.000 0.000) 8.344 ======================= Grid point 157 (150/441) ======================= q-point: ( 0.40 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -13.236 2.269 -6.635) 14.979 3.429 ( -16.259 6.275 8.749) 19.501 4.600 ( -46.341 1.685 -0.581) 46.375 8.440 ( -5.825 5.907 -5.038) 9.706 8.638 ( -13.510 10.396 2.631) 17.248 9.144 ( -16.261 -19.048 1.223) 25.074 9.237 ( 4.100 -1.922 -0.681) 4.579 11.278 ( -3.993 21.226 -5.931) 22.398 11.542 ( -0.590 0.575 7.268) 7.314 14.342 ( 9.432 -3.596 -0.608) 10.113 15.429 ( 3.612 2.441 -2.003) 4.798 15.547 ( 5.765 -1.828 1.977) 6.363 16.035 ( -4.808 -3.290 -0.737) 5.872 16.790 ( 3.418 -5.553 4.227) 7.771 18.366 ( -3.594 -6.042 -3.336) 7.781 ======================= Grid point 158 (151/441) ======================= q-point: (-0.14 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( -6.391 0.922 2.264) 6.842 5.682 ( -7.898 1.373 0.346) 8.024 6.053 ( 12.093 -14.377 -4.604) 19.343 7.733 ( -15.449 -4.165 2.287) 16.163 8.072 ( 1.771 9.013 2.017) 9.404 8.932 ( -4.606 -29.707 1.924) 30.124 9.532 ( 4.056 -5.850 -3.156) 7.787 11.619 ( -10.489 4.979 0.598) 11.627 11.911 ( 2.408 7.112 -0.723) 7.544 13.476 ( 4.108 -0.361 2.365) 4.754 14.647 ( -5.687 -1.468 -7.865) 9.816 15.967 ( -2.354 5.545 13.131) 14.447 17.324 ( 2.296 0.194 -0.967) 2.499 17.431 ( -1.058 7.003 -2.584) 7.539 17.692 ( -1.522 -0.681 2.412) 2.932 ======================= Grid point 159 (152/441) ======================= q-point: ( 0.32 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 10.869 0.160 0.610) 10.887 3.914 ( 24.397 2.999 1.994) 24.661 5.485 ( 46.279 1.767 -0.953) 46.323 8.342 ( -0.290 12.417 3.428) 12.885 8.521 ( 9.075 18.990 -0.365) 21.050 9.291 ( 6.619 -13.643 -3.350) 15.530 9.917 ( 14.687 -20.748 0.312) 25.422 10.597 ( 9.676 38.272 2.305) 39.543 11.720 ( -4.509 6.127 0.717) 7.641 14.163 ( -8.933 -1.086 -1.273) 9.088 15.101 ( -7.206 5.952 -3.158) 9.865 15.569 ( -3.073 -3.215 1.166) 4.597 16.287 ( 2.891 -10.165 1.594) 10.688 17.011 ( -4.381 -13.594 -1.948) 14.415 18.377 ( -1.752 -5.791 -5.366) 8.087 ======================= Grid point 160 (153/441) ======================= q-point: (-0.21 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -10.839 -10.968 -19.230) 24.649 2.022 ( -20.425 -16.860 -21.883) 34.355 2.793 ( -23.127 -16.376 -27.744) 39.658 6.700 ( -0.187 -27.564 27.542) 38.967 7.183 ( -27.216 -15.160 18.384) 36.173 8.921 ( 9.233 1.069 -16.636) 19.056 9.555 ( -9.303 4.760 -2.668) 10.786 9.974 ( -0.488 5.585 4.171) 6.988 11.679 ( 21.155 -2.375 -18.602) 28.271 14.565 ( 16.349 -0.121 -7.537) 18.003 15.370 ( -5.464 10.863 -10.289) 15.928 15.943 ( -16.467 12.771 -6.917) 21.957 16.544 ( 0.975 9.237 -4.466) 10.306 18.185 ( -3.243 12.842 6.521) 14.764 18.925 ( -5.845 7.774 -0.151) 9.727 ======================= Grid point 161 (154/441) ======================= q-point: ( 0.25 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( -5.986 -1.723 0.286) 6.235 5.212 ( -31.384 -0.231 1.491) 31.420 6.985 ( -23.229 13.814 -4.799) 27.449 7.760 ( -0.998 17.409 10.988) 20.611 8.174 ( -2.554 10.656 -9.737) 14.659 9.917 ( -8.065 26.794 -4.378) 28.322 10.337 ( -13.650 -15.996 3.195) 21.270 10.848 ( -5.584 -16.738 0.438) 17.650 11.543 ( -6.060 29.659 2.858) 30.406 13.732 ( 8.349 3.126 -1.336) 9.015 15.163 ( 3.875 -4.743 9.277) 11.117 15.475 ( 2.487 -12.295 -4.443) 13.307 16.347 ( -1.581 -3.154 -4.184) 5.473 17.369 ( 1.625 -16.665 1.825) 16.843 18.402 ( 17.410 -7.146 5.481) 19.601 ======================= Grid point 162 (155/441) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 10.216 0.168 -0.000) 10.217 5.233 ( 32.787 0.185 -0.000) 32.787 6.499 ( 2.721 -26.684 -0.000) 26.822 7.686 ( 22.156 -8.335 -0.000) 23.672 7.882 ( -1.612 -1.976 0.000) 2.550 9.364 ( 6.702 -22.157 -0.000) 23.148 10.703 ( 16.537 15.448 -0.000) 22.630 10.794 ( -4.585 -33.076 -0.000) 33.392 11.234 ( 14.114 9.233 -0.000) 16.866 13.658 ( -7.343 -2.658 0.000) 7.809 15.424 ( -4.314 7.228 0.000) 8.418 15.654 ( -5.706 11.195 0.000) 12.565 16.390 ( 2.763 6.421 0.000) 6.991 17.704 ( -3.695 14.067 0.000) 14.544 18.575 ( -18.400 3.908 0.000) 18.811 ======================= Grid point 164 (156/441) ======================= q-point: (-0.37 -0.30 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( -9.534 -0.318 -1.934) 9.733 3.886 ( -21.420 -3.472 -2.400) 21.831 5.400 ( -43.166 -3.123 2.858) 43.373 7.873 ( -7.814 -28.559 3.167) 29.777 8.419 ( 0.624 -2.503 -6.695) 7.175 9.479 ( -18.230 4.260 1.005) 18.748 9.827 ( -11.993 -31.507 1.100) 33.730 10.332 ( -15.177 15.918 -1.104) 22.021 11.557 ( 16.424 -11.538 -3.921) 20.451 14.159 ( 8.835 0.567 0.723) 8.882 14.891 ( 6.618 -6.716 4.737) 10.552 15.667 ( 1.396 6.513 2.186) 7.011 16.571 ( -1.264 11.568 -5.116) 12.712 17.217 ( 4.429 14.147 7.700) 16.705 18.391 ( 7.139 4.752 4.436) 9.655 ======================= Grid point 165 (157/441) ======================= q-point: ( 0.09 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( 2.749 -2.889 -1.443) 4.241 5.709 ( 3.556 2.964 -1.464) 4.855 6.353 ( 0.461 21.941 4.457) 22.394 7.821 ( 13.734 1.441 -1.300) 13.870 8.068 ( -8.160 4.725 -1.313) 9.520 9.575 ( 9.930 21.985 1.073) 24.147 9.732 ( -6.351 26.057 -0.272) 26.821 11.473 ( 8.437 -10.553 -0.596) 13.524 11.701 ( -0.811 -11.903 0.333) 11.935 13.503 ( -2.362 0.733 0.708) 2.572 14.651 ( -0.820 2.896 -3.089) 4.313 15.928 ( -0.716 -10.561 -1.674) 10.717 17.147 ( 10.416 -7.114 8.064) 14.972 17.411 ( -13.736 -2.983 -8.180) 16.263 17.710 ( -1.567 -3.126 -2.477) 4.285 ======================= Grid point 166 (158/441) ======================= q-point: (-0.45 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 20.480 -2.688 2.289) 20.782 3.470 ( 11.831 -6.510 -9.380) 16.442 4.558 ( 47.327 -1.922 -0.431) 47.368 8.272 ( 6.877 -6.035 1.809) 9.327 8.352 ( 8.531 -14.409 1.846) 16.846 9.329 ( -1.889 7.514 2.773) 8.229 9.564 ( 15.935 17.655 -2.492) 23.914 10.465 ( 5.787 -40.535 4.911) 41.239 11.696 ( -2.145 -4.342 -9.526) 10.686 14.366 ( -9.565 0.182 1.006) 9.619 15.299 ( -3.821 -4.573 3.509) 6.916 15.608 ( -3.629 3.774 0.340) 5.247 16.172 ( 5.363 8.049 -2.047) 9.886 17.093 ( -4.757 14.980 -3.443) 16.090 18.447 ( 4.388 9.707 5.580) 12.025 ======================= Grid point 168 (159/441) ======================= q-point: ( 0.48 -0.48 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( -1.613 0.335 0.000) 1.648 5.616 ( -20.479 -2.898 0.000) 20.683 7.757 ( -29.115 -5.634 0.000) 29.655 8.784 ( 9.017 -8.204 -0.000) 12.191 8.851 ( 0.120 -0.145 -0.000) 0.188 9.785 ( -4.875 16.462 0.000) 17.169 9.930 ( -10.343 -3.532 0.000) 10.929 11.099 ( 3.330 -0.755 -0.000) 3.414 12.326 ( -10.154 -14.755 0.000) 17.911 13.646 ( 6.289 -0.925 -0.000) 6.357 15.027 ( -2.195 -1.046 0.000) 2.432 15.181 ( 3.511 2.271 -0.000) 4.181 16.561 ( -11.961 8.350 0.000) 14.587 16.705 ( -1.337 2.034 0.000) 2.435 17.494 ( 22.125 -7.003 -0.000) 23.207 ======================= Grid point 169 (160/441) ======================= q-point: (-0.06 0.23 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 27.553 -0.000 5.594) 28.115 4.398 ( 44.963 -0.000 -3.029) 45.065 5.737 ( -18.142 -0.000 3.525) 18.482 6.552 ( 50.539 -0.000 -2.444) 50.598 8.662 ( 2.844 0.000 -2.385) 3.712 8.714 ( -0.880 0.000 -4.616) 4.699 8.916 ( -11.546 -0.000 6.055) 13.038 10.825 ( 17.625 -0.000 -2.130) 17.754 11.389 ( 15.443 -0.000 3.631) 15.864 13.701 ( -5.628 -0.000 1.236) 5.762 15.555 ( -4.427 0.000 -15.219) 15.850 16.259 ( -6.811 -0.000 8.310) 10.745 16.815 ( 4.154 -0.000 0.839) 4.237 18.280 ( -6.858 0.000 -1.401) 7.000 18.862 ( -18.811 0.000 -9.795) 21.208 ======================= Grid point 170 (161/441) ======================= q-point: ( 0.40 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 5.910 -7.273) 9.371 2.592 ( 0.000 6.098 2.429) 6.564 3.519 ( -0.000 4.382 11.609) 12.408 7.971 ( 0.000 17.348 -2.295) 17.499 8.293 ( -0.000 -18.041 1.682) 18.119 8.437 ( 0.000 -0.123 -8.575) 8.576 9.587 ( -0.000 -3.388 8.894) 9.517 10.802 ( 0.000 7.841 -8.173) 11.326 11.957 ( -0.000 9.550 9.854) 13.723 14.889 ( -0.000 -1.737 -1.230) 2.129 15.046 ( -0.000 1.065 2.479) 2.698 15.722 ( 0.000 -6.228 -5.681) 8.430 15.733 ( 0.000 2.491 1.620) 2.972 17.156 ( -0.000 -3.300 8.675) 9.281 18.206 ( 0.000 -1.080 -6.009) 6.105 ======================= Grid point 171 (162/441) ======================= q-point: (-0.14 -0.36 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -14.225 -4.480 -6.480) 16.261 4.250 ( -37.947 -2.069 4.571) 38.277 6.089 ( -15.084 -7.089 -7.427) 18.247 6.385 ( -25.346 -8.636 7.616) 27.839 8.383 ( 6.134 7.233 2.209) 9.737 8.576 ( -9.945 -8.633 4.692) 13.980 9.573 ( 7.070 -20.424 -9.556) 23.631 10.637 ( -16.852 4.989 4.609) 18.169 11.532 ( -11.639 5.843 -6.348) 14.488 13.823 ( 7.586 -1.430 -4.695) 9.035 14.892 ( 8.798 0.670 17.526) 19.622 16.309 ( 5.551 7.526 4.697) 10.465 16.841 ( -4.992 2.859 -4.048) 7.035 18.087 ( 7.097 8.003 6.361) 12.444 18.370 ( 15.424 -3.637 13.117) 20.571 ======================= Grid point 172 (163/441) ======================= q-point: ( 0.32 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 2.156 -1.836 -0.335) 2.851 5.592 ( 20.239 2.600 -2.145) 20.518 7.694 ( 24.175 10.584 -5.760) 27.012 8.240 ( -1.107 18.147 10.653) 21.072 8.705 ( -4.297 14.278 0.887) 14.937 10.035 ( 11.686 -15.026 -1.277) 19.078 10.365 ( 4.413 -22.942 -4.255) 23.747 10.879 ( -2.777 15.084 4.413) 15.959 11.951 ( 10.310 25.742 -3.582) 27.961 13.646 ( -6.717 0.755 -0.834) 6.810 14.937 ( 1.358 5.337 1.476) 5.701 15.283 ( -2.790 -6.129 -1.768) 6.963 16.654 ( 9.409 -7.009 5.050) 12.774 16.883 ( 1.836 -12.575 -2.336) 12.921 17.528 ( -19.855 -0.658 -6.274) 20.833 ======================= Grid point 174 (164/441) ======================= q-point: ( 0.24 -0.24 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -9.429 8.084 0.000) 12.420 2.951 ( -35.982 9.514 0.000) 37.219 4.466 ( -50.634 4.344 0.000) 50.820 8.142 ( -8.800 12.759 0.000) 15.499 8.218 ( 6.796 4.071 -0.000) 7.922 9.363 ( 0.089 20.627 0.000) 20.628 9.826 ( -21.742 -12.488 0.000) 25.074 9.940 ( -0.802 10.564 0.000) 10.595 11.226 ( -5.739 15.930 0.000) 16.933 14.276 ( 9.791 7.500 -0.000) 12.333 15.406 ( -3.327 -2.643 0.000) 4.249 15.753 ( 6.513 -9.431 -0.000) 11.462 16.206 ( -2.761 -3.858 0.000) 4.744 17.412 ( 0.528 -21.834 -0.000) 21.841 18.829 ( -5.287 -12.788 -0.000) 13.838 ======================= Grid point 175 (165/441) ======================= q-point: (-0.30 0.46 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -3.984 2.869 0.492) 4.934 5.747 ( -13.135 -3.149 0.119) 13.508 6.898 ( 10.558 -24.508 0.131) 26.686 7.979 ( -5.554 -8.846 -3.247) 10.938 8.134 ( -1.922 -8.877 2.680) 9.470 10.045 ( 6.380 -18.139 -1.563) 19.292 10.243 ( -9.195 -27.020 2.748) 28.674 11.291 ( -0.836 16.519 -2.056) 16.667 11.399 ( -7.657 6.309 1.231) 9.997 13.469 ( 3.581 -1.517 1.796) 4.283 14.931 ( -6.524 -2.158 -11.309) 13.233 15.440 ( -2.663 6.633 11.475) 13.519 17.048 ( 16.991 6.403 2.670) 18.353 17.310 ( -9.770 7.418 -3.947) 12.886 17.510 ( -9.080 7.545 1.906) 11.959 ======================= Grid point 176 (166/441) ======================= q-point: ( 0.16 0.17 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 13.411 7.015 3.710) 15.583 3.666 ( 36.914 5.624 2.467) 37.421 5.419 ( 46.697 1.304 0.149) 46.716 7.464 ( -5.686 32.140 -5.545) 33.107 8.150 ( -4.474 -1.276 5.599) 7.280 9.021 ( 16.426 22.501 -2.383) 27.961 10.009 ( 8.829 -9.752 -4.678) 13.962 10.470 ( 19.066 1.148 1.849) 19.190 11.052 ( -5.288 11.406 6.703) 14.247 14.034 ( -8.842 4.751 3.521) 10.637 15.228 ( -5.525 -3.766 -12.197) 13.909 15.920 ( -2.292 -13.373 0.174) 13.569 16.500 ( 1.681 -4.944 7.092) 8.808 17.759 ( -3.367 -17.378 -3.163) 17.982 18.830 ( -6.243 -6.403 -11.208) 14.339 ======================= Grid point 177 (167/441) ======================= q-point: (-0.37 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -6.331 -3.378 -12.821) 14.693 2.796 ( -26.772 -5.752 -13.697) 30.618 3.573 ( -1.618 -3.526 -10.939) 11.607 7.300 ( -9.767 -17.265 6.214) 20.787 8.047 ( -7.036 -24.130 10.000) 27.051 9.013 ( -1.573 1.663 3.069) 3.829 9.422 ( -7.295 -12.225 1.124) 14.280 9.835 ( 4.537 5.067 0.120) 6.803 12.192 ( 8.822 -4.370 -16.409) 19.135 14.675 ( 8.562 -2.035 1.324) 8.900 15.149 ( -7.937 3.165 -4.113) 9.483 15.732 ( 5.203 5.239 3.379) 8.120 16.091 ( -10.260 10.912 -1.481) 15.051 17.621 ( 2.448 11.490 1.325) 11.822 18.558 ( 0.813 12.699 -5.655) 13.925 ======================= Grid point 178 (168/441) ======================= q-point: ( 0.09 -0.42 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( -12.427 1.954 0.314) 12.583 5.123 ( -33.021 1.285 5.784) 33.549 6.212 ( 5.851 25.535 -14.494) 29.939 7.198 ( -24.770 0.531 13.046) 28.001 8.204 ( -1.678 -3.558 -5.647) 6.882 9.027 ( -8.887 17.202 -2.777) 19.560 9.982 ( 4.426 33.550 2.501) 33.933 10.916 ( -18.170 -9.769 2.906) 20.833 11.499 ( -10.267 -10.841 -2.526) 15.143 13.657 ( 6.690 2.089 -2.552) 7.459 15.045 ( 6.688 -1.510 17.058) 18.385 16.054 ( 4.688 -10.763 -1.915) 11.895 16.708 ( -4.673 -8.083 -6.589) 11.427 17.881 ( 5.479 -9.881 3.658) 11.876 18.344 ( 17.869 1.494 12.718) 21.984 ======================= Grid point 179 (169/441) ======================= q-point: (-0.45 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 3.943 1.762 0.140) 4.321 5.201 ( 30.326 0.880 0.775) 30.348 7.153 ( 34.543 -3.968 -2.211) 34.840 8.168 ( -2.241 -20.707 6.287) 21.756 8.469 ( -1.218 -18.009 -7.323) 19.479 9.918 ( 13.209 18.095 1.310) 22.441 10.452 ( 7.301 18.141 1.980) 19.655 10.547 ( 2.814 -23.778 -3.295) 24.170 12.054 ( 7.809 -18.678 2.949) 20.459 13.789 ( -9.080 -2.171 -0.828) 9.372 15.086 ( -1.956 2.666 5.334) 6.276 15.269 ( -3.173 7.016 -4.143) 8.744 16.301 ( 2.792 1.469 -2.242) 3.870 17.030 ( -0.235 15.726 1.494) 15.798 18.232 ( -17.108 9.055 3.761) 19.719 ======================= Grid point 181 (170/441) ======================= q-point: ( 0.47 -0.30 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -6.097 0.619 -0.877) 6.190 3.941 ( -26.386 1.151 0.888) 26.426 5.493 ( -44.154 -2.018 0.419) 44.203 8.720 ( -10.216 0.543 -5.461) 11.597 8.895 ( 1.708 -3.028 2.868) 4.507 8.987 ( -19.281 -17.487 0.566) 26.036 9.475 ( -4.915 21.803 0.030) 22.350 11.366 ( -15.774 -26.498 -1.471) 30.873 11.631 ( 10.579 12.209 1.246) 16.203 14.109 ( 8.299 -1.543 0.378) 8.450 15.199 ( 9.024 -4.891 -0.419) 10.272 15.528 ( 3.172 1.737 1.767) 4.025 16.134 ( -3.695 5.949 -1.326) 7.127 16.710 ( 3.062 3.566 3.198) 5.685 18.297 ( 2.435 -2.965 -1.092) 3.989 ======================= Grid point 182 (171/441) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -0.058 0.000 -1.288) 1.289 5.561 ( 10.914 -0.000 6.606) 12.757 5.849 ( 1.939 0.000 -2.488) 3.154 7.824 ( 0.458 0.000 -3.699) 3.727 8.446 ( -2.729 -0.000 0.949) 2.889 8.465 ( -5.926 0.000 -3.021) 6.652 9.333 ( 11.097 -0.000 3.576) 11.659 11.730 ( 6.297 0.000 -2.297) 6.703 11.927 ( 1.533 -0.000 2.129) 2.624 13.442 ( -1.121 -0.000 3.263) 3.450 14.764 ( -7.360 0.000 -13.962) 15.783 16.088 ( -3.755 -0.000 10.979) 11.604 17.234 ( 6.985 -0.000 1.779) 7.208 17.631 ( -10.442 0.000 -7.234) 12.703 17.762 ( -7.446 0.000 -1.878) 7.680 ======================= Grid point 183 (172/441) ======================= q-point: ( 0.39 0.11 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 18.847 0.294 0.623) 18.860 3.664 ( 6.782 1.270 1.898) 7.156 4.583 ( 47.103 0.438 0.161) 47.105 8.341 ( 10.121 1.839 0.846) 10.321 8.656 ( 16.480 15.340 -1.010) 22.537 9.119 ( 5.351 -6.325 -3.828) 9.126 9.273 ( -0.433 -12.930 3.187) 13.324 11.108 ( 12.478 26.209 -3.279) 29.212 11.776 ( -8.787 -9.226 4.855) 13.635 14.307 ( -9.255 -1.247 -1.060) 9.399 15.379 ( -8.573 4.285 -0.593) 9.602 15.580 ( 2.371 1.236 -0.519) 2.724 16.021 ( 4.303 -6.465 0.443) 7.778 16.929 ( -7.524 -5.510 0.384) 9.334 18.241 ( 4.129 -3.223 -1.063) 5.345 ======================= Grid point 184 (173/441) ======================= q-point: (-0.15 -0.19 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -21.968 -17.751 -14.949) 31.956 2.053 ( -25.271 -10.065 -21.254) 34.521 3.406 ( -50.931 -3.175 -19.596) 54.664 6.223 ( -2.078 -18.084 30.397) 35.430 7.652 ( -31.028 -2.870 20.022) 37.038 8.787 ( 8.582 3.935 -17.066) 19.503 9.689 ( -1.596 -4.291 -2.738) 5.335 10.159 ( -4.635 6.075 4.858) 9.055 11.165 ( 18.590 -2.841 -17.765) 25.870 14.264 ( 12.258 -1.274 -9.152) 15.351 15.502 ( 0.923 2.601 -2.083) 3.458 16.476 ( -2.556 13.081 3.241) 13.716 16.649 ( 1.685 3.619 -8.191) 9.112 18.471 ( 2.055 10.340 2.119) 10.753 19.201 ( -2.907 6.021 15.381) 16.771 ======================= Grid point 185 (174/441) ======================= q-point: ( 0.31 -0.48 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -1.932 -2.806 0.313) 3.421 5.691 ( -18.694 -0.957 0.815) 18.736 7.701 ( -19.769 14.319 -4.422) 24.807 8.178 ( -4.615 16.650 8.579) 19.290 8.473 ( -1.079 14.420 -6.753) 15.959 10.134 ( -8.501 -20.520 0.695) 22.222 10.531 ( -0.728 -17.734 1.332) 17.799 10.621 ( -4.669 21.204 -2.442) 21.849 12.172 ( -3.862 21.011 2.417) 21.499 13.630 ( 6.776 1.875 -0.809) 7.078 15.056 ( 1.151 -0.477 4.652) 4.815 15.236 ( 0.738 -7.814 -3.209) 8.480 16.393 ( -7.244 0.467 -2.750) 7.763 17.012 ( 1.589 -14.659 1.385) 14.809 17.850 ( 20.995 -9.348 3.194) 23.203 ======================= Grid point 186 (175/441) ======================= q-point: (-0.22 0.22 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 19.731 -10.025 -0.000) 22.132 4.455 ( 44.015 -1.314 -0.000) 44.035 6.026 ( 7.565 -10.986 -0.000) 13.339 6.915 ( 23.985 -19.768 -0.000) 31.081 8.033 ( -5.332 8.874 0.000) 10.353 8.955 ( 2.144 -10.235 -0.000) 10.457 10.077 ( 0.358 -35.372 -0.000) 35.374 10.620 ( 17.402 10.391 -0.000) 20.269 11.175 ( 14.691 8.668 -0.000) 17.057 13.740 ( -6.181 -2.515 0.000) 6.673 15.618 ( -1.765 5.025 0.000) 5.326 16.006 ( -8.009 8.933 0.000) 11.998 16.501 ( 2.892 9.462 0.000) 9.894 18.051 ( -4.643 11.610 0.000) 12.504 18.961 ( -15.737 1.571 0.000) 15.815 ======================= Grid point 187 (176/441) ======================= q-point: ( 0.24 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 18.360 3.533) 18.697 2.030 ( 0.000 16.045 8.347) 18.087 2.979 ( -0.000 10.816 12.597) 16.603 7.326 ( 0.000 14.937 -2.029) 15.074 8.482 ( 0.000 8.014 -9.837) 12.688 8.973 ( -0.000 -14.930 0.387) 14.935 9.637 ( 0.000 42.096 -4.067) 42.292 9.815 ( 0.000 -6.374 -5.762) 8.592 11.382 ( -0.000 3.826 28.305) 28.563 14.726 ( 0.000 10.615 4.500) 11.529 15.026 ( 0.000 -1.680 -5.986) 6.217 15.542 ( -0.000 2.715 7.025) 7.532 16.224 ( -0.000 -8.663 -5.396) 10.206 17.510 ( -0.000 -20.211 5.578) 20.966 18.512 ( -0.000 -7.789 -2.114) 8.071 ======================= Grid point 188 (177/441) ======================= q-point: (-0.30 -0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -5.436 -1.038 -0.693) 5.578 4.338 ( -30.923 -4.440 1.877) 31.296 6.146 ( -39.011 -3.314 6.931) 39.761 7.374 ( -1.911 -27.689 -6.945) 28.611 8.318 ( 3.007 -3.537 -2.580) 5.311 9.402 ( -17.683 -32.655 -2.602) 37.227 10.078 ( -15.442 11.676 2.101) 19.472 10.655 ( -2.743 -15.556 4.299) 16.371 11.200 ( 1.799 11.360 -5.753) 12.860 13.973 ( 9.269 -0.936 -1.844) 9.496 14.681 ( 3.406 -4.355 7.463) 9.288 15.769 ( 4.889 9.371 6.356) 12.334 16.775 ( -1.683 6.908 -6.915) 9.918 17.463 ( 1.735 14.245 9.022) 16.951 18.239 ( 14.096 1.246 7.328) 15.936 ======================= Grid point 189 (178/441) ======================= q-point: ( 0.16 0.34 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 4.795 -2.370 -1.743) 5.626 5.552 ( 18.567 2.401 -5.262) 19.447 6.907 ( -5.489 26.988 8.555) 28.839 7.555 ( 23.501 6.389 -2.083) 24.443 8.275 ( -2.393 5.565 0.129) 6.059 9.796 ( 10.126 23.752 6.664) 26.667 10.419 ( -1.869 22.168 -6.745) 23.247 11.023 ( 12.355 -6.043 1.028) 13.792 11.389 ( 5.544 -13.778 -1.953) 14.979 13.610 ( -6.276 1.245 1.369) 6.544 14.743 ( -1.481 3.556 -6.393) 7.464 15.725 ( -2.127 -11.850 -3.250) 12.470 16.815 ( 7.486 -7.378 8.829) 13.727 17.490 ( -4.589 -11.496 -4.105) 13.041 17.790 ( -15.079 -1.666 -10.879) 18.668 ======================= Grid point 191 (179/441) ======================= q-point: ( 0.08 -0.25 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -19.269 19.370 -4.559) 27.700 2.674 ( -40.937 7.690 -5.951) 42.076 4.342 ( -56.378 2.776 -5.027) 56.670 7.050 ( 8.589 30.552 10.740) 33.504 8.294 ( 7.184 -5.609 -6.132) 10.985 8.516 ( -18.922 5.685 8.940) 21.686 9.895 ( -8.657 12.703 -1.872) 15.486 10.177 ( -5.439 -8.490 1.923) 10.265 10.789 ( -1.794 3.444 -10.020) 10.746 14.018 ( 7.048 4.927 -4.258) 9.596 15.507 ( -2.894 -3.364 4.296) 6.177 16.265 ( 2.153 -13.762 1.506) 14.010 16.429 ( -2.441 -5.448 -5.430) 8.070 18.194 ( 3.306 -14.419 0.865) 14.818 19.248 ( 1.513 -9.576 8.013) 12.578 ======================= Grid point 192 (180/441) ======================= q-point: (-0.46 0.46 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -1.358 2.375 0.000) 2.736 5.864 ( -10.124 -2.287 0.000) 10.379 7.923 ( -8.074 -22.035 -0.000) 23.468 8.402 ( 3.469 -7.028 -0.000) 7.838 8.587 ( 5.050 -15.591 -0.000) 16.388 10.290 ( -0.170 25.004 0.000) 25.005 10.291 ( -11.612 12.258 0.000) 16.885 10.837 ( 6.097 -14.873 -0.000) 16.075 12.107 ( -8.294 -23.883 -0.000) 25.282 13.529 ( 2.553 -1.721 -0.000) 3.079 15.091 ( -4.403 1.170 0.000) 4.556 15.143 ( 2.691 1.068 -0.000) 2.895 16.902 ( -3.766 11.210 0.000) 11.825 16.910 ( 13.734 -0.263 -0.000) 13.736 17.112 ( -10.069 8.903 0.000) 13.440 ======================= Grid point 194 (181/441) ======================= q-point: (-0.53 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -5.747 3.305 -10.814) 12.684 2.993 ( -28.324 3.389 -2.439) 28.630 3.591 ( 0.763 3.130 7.163) 7.854 7.975 ( -8.636 -18.155 1.637) 20.171 8.281 ( 1.277 6.196 -3.917) 7.441 8.601 ( -12.578 8.299 -4.033) 15.600 9.526 ( 4.983 2.451 8.668) 10.294 10.613 ( -6.142 -27.860 3.838) 28.786 12.219 ( 5.488 16.433 -5.941) 18.316 14.686 ( 10.638 -1.384 1.207) 10.796 15.212 ( -11.308 -1.518 2.401) 11.659 15.583 ( 2.185 -5.577 0.379) 6.002 15.853 ( -5.073 4.531 -1.617) 6.991 17.156 ( 4.256 6.945 5.450) 9.800 18.245 ( 1.786 6.313 -7.574) 10.020 ======================= Grid point 195 (182/441) ======================= q-point: (-0.07 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -13.385 0.000 -0.718) 13.404 4.943 ( -33.243 -0.000 8.852) 34.401 5.973 ( 4.886 0.000 -21.692) 22.235 6.999 ( -29.644 -0.000 12.296) 32.093 8.393 ( 2.424 -0.000 12.392) 12.627 8.580 ( -2.308 -0.000 3.818) 4.462 9.248 ( 1.379 0.000 -16.460) 16.518 11.058 ( -19.609 -0.000 4.250) 20.064 11.804 ( -8.996 0.000 -4.248) 9.949 13.675 ( 6.194 0.000 -4.307) 7.544 14.743 ( 6.563 -0.000 16.404) 17.668 16.273 ( 4.844 -0.000 5.707) 7.485 17.008 ( -7.328 0.000 -3.501) 8.121 17.999 ( 15.774 -0.000 12.889) 20.370 18.019 ( 8.765 -0.000 4.181) 9.711 ======================= Grid point 196 (183/441) ======================= q-point: ( 0.39 0.28 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 2.475 -0.368 -0.122) 2.505 5.144 ( 29.247 1.782 -0.915) 29.315 7.178 ( 37.809 3.197 -3.023) 38.064 8.645 ( -6.137 8.446 6.870) 12.497 8.963 ( 2.332 4.469 -0.172) 5.044 9.598 ( 11.294 -0.876 1.559) 11.434 9.816 ( 8.948 -14.720 -4.492) 17.803 11.158 ( -5.298 3.198 2.163) 6.555 12.119 ( 13.945 13.120 -2.166) 19.270 13.805 ( -7.866 0.477 -0.658) 7.908 15.006 ( -0.293 2.408 -0.139) 2.430 15.287 ( -6.965 -2.954 -0.163) 7.568 16.341 ( 8.331 -4.740 1.076) 9.645 16.703 ( -0.715 -3.462 -1.122) 3.708 17.927 ( -16.817 2.708 -1.643) 17.113 ======================= Grid point 198 (184/441) ======================= q-point: ( 0.31 -0.31 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -6.660 1.861 0.000) 6.915 3.809 ( -36.424 4.235 0.000) 36.669 5.494 ( -47.017 1.788 0.000) 47.051 8.266 ( 2.662 10.497 0.000) 10.829 8.565 ( -2.220 18.498 0.000) 18.631 9.416 ( -7.582 -12.197 0.000) 14.362 9.910 ( -19.219 -19.317 0.000) 27.249 10.519 ( 2.871 35.786 0.000) 35.901 11.682 ( -11.397 10.525 0.000) 15.514 14.175 ( 10.437 2.282 -0.000) 10.683 15.379 ( 2.996 0.060 -0.000) 2.996 15.384 ( 10.376 -7.526 -0.000) 12.818 16.195 ( -3.046 -3.669 0.000) 4.768 17.008 ( -1.113 -17.658 -0.000) 17.693 18.635 ( 0.578 -11.114 -0.000) 11.129 ======================= Grid point 199 (185/441) ======================= q-point: (-0.23 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -1.698 3.457 -0.411) 3.873 5.829 ( 0.746 -4.224 -4.793) 6.432 6.133 ( 12.253 -22.659 6.561) 26.582 7.897 ( 4.508 2.000 -1.918) 5.291 8.079 ( -6.752 -5.998 0.370) 9.039 9.508 ( 15.524 -13.022 1.510) 20.319 9.759 ( -9.203 -35.487 -0.588) 36.665 11.532 ( 8.270 12.780 -2.050) 15.360 11.663 ( -1.298 8.869 1.490) 9.086 13.419 ( -1.788 -1.490 2.079) 3.121 15.064 ( -8.455 0.482 -16.479) 18.528 15.672 ( -6.473 6.436 14.000) 16.713 16.930 ( 11.563 9.833 2.950) 15.463 17.645 ( -9.635 6.148 -2.803) 11.768 17.824 ( -14.087 0.709 -3.163) 14.455 ======================= Grid point 200 (186/441) ======================= q-point: ( 0.23 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 23.503 4.577 -0.180) 23.945 3.311 ( 14.579 9.189 11.254) 20.583 4.514 ( 47.542 2.194 1.913) 47.631 7.968 ( 10.267 19.442 -8.094) 23.429 8.251 ( -3.082 0.416 2.148) 3.779 9.282 ( 5.490 23.377 -4.084) 24.358 9.819 ( 4.548 8.410 -4.415) 10.531 9.889 ( 18.936 -12.647 3.095) 22.980 11.501 ( -6.145 13.631 11.720) 18.998 14.318 ( -9.382 4.562 1.467) 10.535 15.261 ( -2.894 -0.923 -6.263) 6.961 15.733 ( -2.220 -8.471 -1.303) 8.853 16.324 ( 4.709 -6.722 5.098) 9.661 17.449 ( -4.009 -18.856 0.691) 19.290 18.666 ( 3.052 -11.229 -7.023) 13.591 ======================= Grid point 201 (187/441) ======================= q-point: (-0.31 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -16.195 -5.074 -12.668) 21.178 3.097 ( -15.812 -12.845 -18.323) 27.400 3.771 ( -28.860 -0.431 -7.362) 29.787 7.017 ( -9.252 -33.105 17.639) 38.634 7.843 ( -27.819 -23.333 10.600) 37.824 8.794 ( 12.279 -0.052 -3.827) 12.862 9.746 ( -10.584 8.827 0.970) 13.816 9.884 ( -4.501 3.217 -3.919) 6.780 11.762 ( 16.181 -11.264 -14.579) 24.521 14.456 ( 9.133 -2.460 -2.346) 9.745 15.310 ( 4.448 5.978 0.384) 7.462 15.853 ( -2.048 10.719 4.879) 11.954 16.508 ( -6.531 11.067 -8.319) 15.308 17.817 ( 2.200 12.918 6.512) 14.633 18.779 ( 1.330 9.925 0.407) 10.022 ======================= Grid point 202 (188/441) ======================= q-point: ( 0.15 -0.49 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( -4.715 -3.099 1.593) 5.863 5.643 ( -17.122 1.164 4.437) 17.726 6.731 ( 0.798 30.741 -9.582) 32.210 7.646 ( -17.940 4.587 7.048) 19.813 8.241 ( -0.523 3.796 -3.505) 5.193 9.674 ( -11.645 23.283 -6.166) 26.753 10.539 ( 4.196 24.813 5.974) 25.865 11.007 ( -11.627 -10.352 -0.631) 15.581 11.422 ( -6.493 -9.532 1.594) 11.643 13.574 ( 5.726 1.942 -2.265) 6.457 14.919 ( 4.501 0.372 12.077) 12.894 15.733 ( 3.532 -12.027 -2.383) 12.759 16.658 ( -7.210 -7.450 -7.955) 13.068 17.557 ( 4.774 -11.892 3.086) 13.181 17.986 ( 17.781 -2.418 9.858) 20.474 ======================= Grid point 203 (189/441) ======================= q-point: (-0.38 0.22 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 8.142 -1.245 -0.620) 8.260 4.509 ( 38.819 -1.613 0.811) 38.861 6.332 ( 40.592 -3.672 -0.968) 40.769 7.876 ( -10.225 -20.802 6.144) 23.979 8.151 ( -0.023 -13.029 -7.428) 14.998 9.738 ( 11.246 -20.361 -2.828) 23.431 10.089 ( 10.022 5.517 2.771) 11.771 10.634 ( 15.683 17.280 -0.114) 23.336 11.440 ( 4.450 -27.043 1.618) 27.454 13.907 ( -9.317 -4.311 -1.469) 10.371 15.246 ( -4.583 5.585 9.542) 11.968 15.539 ( -4.078 11.972 -4.565) 13.446 16.331 ( 0.686 3.479 -3.833) 5.221 17.390 ( -0.681 18.417 1.521) 18.492 18.684 ( -10.726 8.292 5.840) 14.762 ======================= Grid point 204 (190/441) ======================= q-point: ( 0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 22.733 0.000) 22.733 1.072 ( 0.000 24.548 0.000) 24.548 1.954 ( 0.000 36.349 0.000) 36.349 6.868 ( 0.000 8.178 0.000) 8.178 7.933 ( 0.000 32.133 0.000) 32.133 8.333 ( 0.000 5.519 0.000) 5.519 9.448 ( -0.000 -8.108 -0.000) 8.108 10.317 ( -0.000 -7.106 -0.000) 7.106 10.616 ( 0.000 10.350 0.000) 10.350 14.213 ( 0.000 8.600 0.000) 8.600 15.222 ( -0.000 -2.296 -0.000) 2.296 15.297 ( 0.000 2.948 0.000) 2.948 16.506 ( -0.000 -4.329 -0.000) 4.329 18.296 ( -0.000 -15.793 -0.000) 15.793 18.788 ( -0.000 -4.431 -0.000) 4.431 ======================= Grid point 205 (191/441) ======================= q-point: (-0.46 -0.37 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( -3.838 0.662 0.236) 3.902 4.478 ( -29.560 -2.909 0.375) 29.706 6.250 ( -40.329 -5.354 2.769) 40.777 8.544 ( -0.913 -20.844 -7.113) 22.043 8.705 ( -4.234 -14.014 0.338) 14.643 9.404 ( -14.919 13.996 2.032) 20.557 10.089 ( -6.638 24.553 1.264) 25.466 11.048 ( -14.222 -31.388 -7.486) 35.263 11.465 ( 7.026 -10.021 6.506) 13.860 13.942 ( 8.310 0.490 1.099) 8.397 14.951 ( 2.691 -7.538 -0.182) 8.006 15.470 ( 6.324 2.515 1.257) 6.921 16.421 ( -4.471 13.132 -2.324) 14.065 16.801 ( 0.883 9.018 4.084) 9.939 18.118 ( 11.564 -1.295 1.740) 11.766 ======================= Grid point 208 (192/441) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -25.350 0.000 -17.465) 30.784 2.629 ( -38.978 0.000 -8.070) 39.805 4.449 ( -55.157 0.000 -9.449) 55.961 6.053 ( 0.713 -0.000 20.472) 20.485 8.153 ( -21.947 -0.000 17.799) 28.258 8.724 ( 5.217 0.000 -11.914) 13.007 9.494 ( 10.049 0.000 -5.677) 11.542 10.333 ( -6.094 -0.000 3.522) 7.039 10.995 ( -3.241 0.000 -12.430) 12.845 14.040 ( 9.165 0.000 -7.216) 11.664 15.486 ( 3.579 -0.000 6.697) 7.593 16.564 ( 4.463 0.000 -5.090) 6.770 16.691 ( -2.457 -0.000 1.371) 2.813 18.497 ( 5.250 -0.000 0.376) 5.263 19.178 ( 9.286 -0.000 19.290) 21.409 ======================= Grid point 209 (193/441) ======================= q-point: ( 0.38 -0.55 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -0.315 -1.185 0.047) 1.228 5.920 ( -6.143 -0.401 0.233) 6.160 8.284 ( -17.623 3.594 -1.372) 18.038 8.479 ( 7.019 12.090 2.990) 14.296 8.790 ( -1.460 11.548 -2.079) 11.824 9.845 ( -1.928 -13.674 0.327) 13.814 10.178 ( 1.221 -11.548 0.032) 11.612 11.012 ( -1.765 8.451 -0.705) 8.662 12.515 ( -1.049 7.466 0.164) 7.542 13.559 ( 2.639 0.593 -0.289) 2.720 15.074 ( -0.200 1.494 1.343) 2.019 15.125 ( -0.089 -2.584 -0.913) 2.742 16.665 ( -10.718 4.320 0.747) 11.580 16.767 ( -3.623 -5.469 -0.930) 6.626 17.236 ( 20.611 -9.072 0.703) 22.530 ======================= Grid point 210 (194/441) ======================= q-point: (-0.16 0.16 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 25.534 -15.188 -0.000) 29.710 3.494 ( 49.276 -1.644 -0.000) 49.303 5.414 ( 54.457 2.432 -0.000) 54.511 6.331 ( -15.015 -19.905 0.000) 24.933 8.365 ( -1.235 13.578 0.000) 13.634 8.771 ( 5.607 -2.440 -0.000) 6.115 9.458 ( -4.333 -25.665 -0.000) 26.029 10.490 ( 11.433 5.585 -0.000) 12.725 10.987 ( 16.510 3.495 -0.000) 16.875 13.801 ( -4.741 -1.862 0.000) 5.093 15.683 ( 2.501 2.131 -0.000) 3.285 16.291 ( -7.549 3.412 0.000) 8.285 16.645 ( 2.691 9.248 0.000) 9.632 18.341 ( -4.982 6.894 0.000) 8.505 19.287 ( -14.169 2.005 0.000) 14.311 ======================= Grid point 211 (195/441) ======================= q-point: ( 0.31 -0.14 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -8.807 14.056 -5.619) 17.513 2.627 ( -26.047 12.010 5.584) 29.221 3.206 ( -8.182 5.223 11.302) 14.898 7.762 ( -10.598 15.102 -1.713) 18.529 8.482 ( 5.262 -0.763 -5.962) 7.989 8.833 ( -13.202 -12.305 -1.744) 18.131 9.544 ( 2.522 -10.818 6.307) 12.773 10.567 ( 0.251 40.345 -15.971) 43.392 11.454 ( 0.449 4.852 21.771) 22.310 14.759 ( 9.430 2.009 -0.447) 9.652 15.144 ( -9.215 2.195 -0.374) 9.480 15.672 ( -4.808 2.882 2.381) 6.091 16.030 ( 0.186 -9.426 -5.955) 11.151 17.125 ( 2.075 -14.499 8.199) 16.785 18.381 ( -1.236 -6.508 -3.843) 7.658 ======================= Grid point 212 (196/441) ======================= q-point: (-0.23 -0.43 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -6.479 -0.980 0.781) 6.599 4.866 ( -30.153 -3.697 6.881) 31.149 6.734 ( -13.696 -4.776 6.138) 15.750 6.925 ( -14.305 -17.257 -17.427) 28.392 8.167 ( 3.664 -4.090 6.919) 8.833 9.125 ( -13.246 -24.979 -0.033) 28.274 9.981 ( 7.018 -19.910 -3.523) 21.402 10.797 ( -20.542 7.680 3.241) 22.168 11.595 ( -6.341 13.634 -2.597) 15.259 13.775 ( 8.920 -0.636 -2.393) 9.258 14.570 ( -0.144 -3.376 5.862) 6.766 15.857 ( 4.654 8.674 12.069) 15.574 16.969 ( -6.019 5.162 -6.888) 10.503 17.668 ( 2.570 8.922 7.936) 12.214 17.926 ( 17.074 -0.356 6.790) 18.378 ======================= Grid point 213 (197/441) ======================= q-point: ( 0.23 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.411 ( 4.315 -1.285 -0.657) 4.550 5.105 ( 30.294 2.188 -4.008) 30.637 7.082 ( 35.207 4.655 -5.238) 35.897 7.623 ( -8.541 26.820 8.796) 29.490 8.436 ( 1.216 9.999 3.961) 10.824 10.123 ( 9.156 4.816 -3.448) 10.905 10.224 ( 13.922 7.950 7.182) 17.567 10.832 ( 4.800 -20.277 -0.083) 20.838 11.345 ( 5.163 27.890 -7.533) 29.347 13.791 ( -8.838 1.472 1.011) 9.016 14.846 ( -1.555 3.810 -5.808) 7.118 15.547 ( -3.721 -10.459 -0.936) 11.141 16.560 ( 3.937 -7.004 6.249) 10.179 17.245 ( -1.132 -15.843 -4.659) 16.553 18.080 ( -16.498 -2.894 -10.088) 19.553 ======================= Grid point 215 (198/441) ======================= q-point: ( 0.15 -0.32 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -13.586 9.460 -2.498) 16.743 3.633 ( -42.682 4.763 -1.175) 42.963 5.408 ( -48.163 1.611 -0.810) 48.197 7.546 ( 10.212 32.946 3.157) 34.636 8.074 ( 5.441 -0.895 -2.684) 6.133 9.062 ( -12.842 18.118 1.873) 22.287 10.084 ( -9.261 -10.223 3.262) 14.174 10.436 ( -20.802 2.474 -1.647) 21.013 10.955 ( 0.451 13.390 -3.792) 13.924 13.978 ( 8.200 5.460 -2.290) 10.114 15.431 ( 2.090 -4.909 9.203) 10.638 15.900 ( 4.579 -14.408 -1.702) 15.214 16.383 ( -2.073 -4.102 -5.172) 6.919 17.798 ( 2.439 -18.060 1.208) 18.264 19.005 ( 5.413 -8.090 7.063) 12.027 ======================= Grid point 216 (199/441) ======================= q-point: (-0.39 0.39 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -0.503 4.165 0.000) 4.195 5.917 ( 2.004 -0.628 -0.000) 2.100 7.304 ( 6.552 -31.493 -0.000) 32.167 8.163 ( 5.801 -13.327 -0.000) 14.535 8.300 ( 2.856 -3.657 -0.000) 4.640 10.255 ( 10.580 -22.059 -0.000) 24.465 10.712 ( -10.147 4.350 0.000) 11.040 10.767 ( 5.774 22.794 0.000) 23.514 11.714 ( -1.902 -22.500 -0.000) 22.581 13.484 ( -2.332 -2.317 0.000) 3.287 15.171 ( -0.478 4.585 0.000) 4.610 15.254 ( -6.676 4.088 0.000) 7.828 16.590 ( 14.440 3.189 -0.000) 14.788 17.251 ( -5.055 13.309 0.000) 14.236 17.662 ( -19.753 8.688 0.000) 21.579 ======================= Grid point 218 (200/441) ======================= q-point: (-0.47 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -11.951 0.871 -10.906) 16.203 3.611 ( -2.038 -0.721 -0.801) 2.305 3.736 ( -38.074 1.814 -1.159) 38.134 7.843 ( -15.606 -20.440 4.061) 26.035 8.322 ( -2.982 -0.014 -5.530) 6.283 9.059 ( -10.437 5.492 4.752) 12.716 9.562 ( -0.143 10.857 0.983) 10.902 10.072 ( -10.491 -37.422 4.124) 39.083 12.263 ( 12.098 3.338 -9.121) 15.514 14.484 ( 9.263 0.711 1.996) 9.502 15.289 ( 0.073 -6.858 -0.266) 6.863 15.486 ( -2.041 1.768 5.474) 6.103 16.137 ( -7.631 10.591 -2.986) 13.391 17.238 ( 7.254 11.414 4.135) 14.142 18.375 ( 2.596 9.979 -4.973) 11.447 ======================= Grid point 220 (201/441) ======================= q-point: (-0.54 0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 4.227 0.226 -0.284) 4.243 4.539 ( 33.200 -0.119 0.218) 33.201 6.405 ( 43.620 0.317 -0.619) 43.626 8.572 ( -0.411 -16.853 -2.682) 17.070 8.948 ( -2.627 -9.723 2.095) 10.287 9.298 ( 15.066 5.076 0.162) 15.899 9.766 ( 12.412 21.489 2.214) 24.915 11.133 ( -5.709 -19.039 -3.916) 20.258 11.960 ( 13.864 0.626 3.250) 14.254 13.981 ( -8.461 1.261 0.246) 8.558 15.069 ( -4.883 -0.310 1.064) 5.007 15.400 ( -7.792 -1.550 -2.772) 8.414 16.195 ( 4.645 3.482 0.137) 5.807 16.760 ( -0.775 7.318 -0.083) 7.359 18.262 ( -8.510 5.419 3.076) 10.548 ======================= Grid point 221 (202/441) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 0.000 0.000 -22.066) 22.066 0.749 ( 0.000 0.000 -40.110) 40.110 1.033 ( 0.000 0.000 -55.061) 55.061 6.672 ( -0.000 -0.000 2.937) 2.937 6.672 ( -0.000 -0.000 32.811) 32.811 8.484 ( 0.000 0.000 -24.407) 24.407 9.615 ( -0.000 -0.000 0.033) 0.033 10.382 ( -0.000 -0.000 7.113) 7.113 12.027 ( -0.000 -0.000 0.705) 0.705 15.023 ( -0.000 -0.000 11.693) 11.693 15.500 ( 0.000 0.000 -13.492) 13.492 16.643 ( 0.000 0.000 -4.203) 4.203 16.685 ( -0.000 -0.000 2.299) 2.299 18.637 ( 0.000 0.000 -0.960) 0.960 18.787 ( -0.000 -0.000 1.869) 1.869 ======================= Grid point 222 (203/441) ======================= q-point: ( 0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -4.454 -0.138 0.000) 4.456 4.542 ( -33.835 -0.358 0.000) 33.837 6.380 ( -42.289 -1.268 0.000) 42.308 8.537 ( -1.936 15.665 0.000) 15.784 8.976 ( 6.259 22.151 0.000) 23.019 9.327 ( -14.178 -14.031 0.000) 19.947 9.804 ( -14.766 -22.810 0.000) 27.172 11.054 ( 5.639 22.704 0.000) 23.393 12.025 ( -14.280 -3.389 0.000) 14.677 13.982 ( 9.114 -1.374 -0.000) 9.217 15.108 ( 5.772 -3.304 -0.000) 6.651 15.318 ( 6.600 3.825 -0.000) 7.628 16.199 ( -3.863 -1.118 0.000) 4.021 16.750 ( -1.347 -9.733 -0.000) 9.826 18.334 ( 9.381 -9.075 -0.000) 13.052 ======================= Grid point 223 (204/441) ======================= q-point: (-0.16 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 11.185 0.906 -1.679) 11.347 5.420 ( 0.739 -16.846 7.701) 18.538 5.733 ( 18.024 -0.763 -2.360) 18.194 7.843 ( 10.677 2.971 -10.861) 15.517 8.217 ( -4.803 10.556 5.596) 12.877 8.949 ( 15.323 -8.823 1.259) 17.726 9.209 ( -4.699 -31.200 1.178) 31.574 11.482 ( 15.895 6.296 -2.449) 17.271 11.769 ( 5.170 4.871 2.293) 7.464 13.471 ( -5.538 -0.884 1.547) 5.818 15.261 ( -9.001 1.259 -19.492) 21.507 15.922 ( -7.841 3.606 14.095) 16.528 16.949 ( 7.712 8.774 1.989) 11.850 17.928 ( -8.476 3.953 -1.760) 9.517 18.118 ( -18.738 -2.649 -7.005) 20.179 ======================= Grid point 225 (205/441) ======================= q-point: (-0.24 -0.26 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -21.409 -7.470 -10.571) 25.018 3.101 ( -18.574 -11.819 -15.921) 27.169 4.528 ( -42.964 0.948 -1.752) 43.010 6.478 ( -11.897 -35.663 17.784) 41.589 8.066 ( -27.412 -12.686 11.921) 32.472 8.616 ( 14.045 8.093 -9.421) 18.749 9.947 ( -3.585 0.432 0.737) 3.686 10.157 ( -11.609 -1.520 -1.804) 11.846 11.272 ( 10.078 -4.537 -14.399) 18.152 14.217 ( 9.726 -2.505 -4.855) 11.156 15.248 ( 10.412 3.879 9.031) 14.318 16.161 ( -1.370 13.883 3.921) 14.491 16.728 ( -0.107 4.387 -9.462) 10.430 18.055 ( 3.227 14.419 8.516) 17.054 18.850 ( 6.376 3.071 9.305) 11.691 ======================= Grid point 226 (206/441) ======================= q-point: ( 0.22 -0.56 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -0.385 -3.965 0.387) 4.003 5.873 ( -3.681 1.980 1.841) 4.567 7.378 ( -2.426 29.705 -2.913) 29.946 8.109 ( -12.327 11.294 1.401) 16.777 8.332 ( 3.309 6.241 -0.930) 7.125 10.334 ( -6.590 22.329 -3.195) 23.499 10.607 ( 0.675 -11.720 2.947) 12.104 10.863 ( -0.686 -16.744 -2.422) 16.932 11.635 ( 0.108 23.173 3.346) 23.414 13.525 ( 2.379 1.436 -1.439) 3.129 14.894 ( 1.881 3.283 6.280) 7.332 15.450 ( 1.903 -10.069 -2.987) 10.674 16.717 ( -11.748 -5.035 -5.979) 14.111 17.222 ( 3.788 -11.674 1.578) 12.374 17.546 ( 15.663 -8.012 5.528) 18.441 ======================= Grid point 228 (207/441) ======================= q-point: ( 0.14 -0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -18.697 20.404 0.000) 27.675 1.948 ( -31.573 17.771 0.000) 36.231 2.677 ( -16.709 18.780 0.000) 25.137 7.313 ( -20.404 6.822 0.000) 21.514 8.411 ( 4.039 4.414 -0.000) 5.983 8.700 ( 2.774 43.841 0.000) 43.929 9.347 ( -9.998 -9.992 0.000) 14.135 10.092 ( 3.213 -10.120 -0.000) 10.618 10.844 ( 0.083 12.305 0.000) 12.305 14.379 ( 4.494 11.231 0.000) 12.097 15.226 ( -5.604 -2.990 0.000) 6.351 15.578 ( -17.271 -2.305 0.000) 17.424 16.387 ( 2.030 -5.802 -0.000) 6.146 17.903 ( 0.874 -21.310 -0.000) 21.328 18.762 ( -8.145 -9.441 0.000) 12.469 ======================= Grid point 229 (208/441) ======================= q-point: (-0.39 -0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -3.574 0.826 0.353) 3.685 4.970 ( -28.235 -4.920 2.410) 28.762 6.840 ( -32.043 -8.166 4.506) 33.373 8.102 ( 0.722 -21.157 -12.711) 24.692 8.440 ( 1.804 -13.424 3.944) 14.107 9.947 ( -13.267 6.481 3.192) 15.107 10.546 ( -6.387 -6.602 -6.660) 11.346 10.860 ( -9.745 4.778 -1.464) 10.952 11.052 ( -1.707 -20.409 6.986) 21.639 13.777 ( 9.334 0.150 1.103) 9.400 14.807 ( -3.435 -7.062 -2.375) 8.205 15.410 ( 5.861 4.006 4.920) 8.638 16.784 ( -5.928 11.325 -6.095) 14.162 17.039 ( -2.180 12.600 6.282) 14.247 17.803 ( 18.248 0.094 3.905) 18.661 ======================= Grid point 234 (209/441) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 27.808 -0.000 -0.000) 27.808 2.499 ( 48.835 -0.000 -0.000) 48.835 4.202 ( 65.932 -0.000 -0.000) 65.932 6.490 ( -17.220 0.000 0.000) 17.220 8.445 ( 6.816 -0.000 -0.000) 6.816 8.586 ( 11.250 -0.000 -0.000) 11.250 9.364 ( -11.179 0.000 0.000) 11.179 10.409 ( 3.074 -0.000 -0.000) 3.074 10.703 ( 14.654 -0.000 -0.000) 14.654 13.866 ( -4.250 0.000 0.000) 4.250 15.615 ( 6.282 -0.000 -0.000) 6.282 16.449 ( -5.333 0.000 0.000) 5.333 16.719 ( 0.955 -0.000 -0.000) 0.955 18.505 ( -4.110 0.000 0.000) 4.110 19.589 ( -12.452 0.000 0.000) 12.452 ======================= Grid point 235 (210/441) ======================= q-point: ( 0.37 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -13.255 6.471 -11.060) 18.436 3.214 ( -9.238 8.015 13.653) 18.330 3.735 ( -38.892 3.131 -0.101) 39.018 8.264 ( -10.765 8.809 -3.168) 14.266 8.440 ( -7.487 -0.958 -1.566) 7.709 8.862 ( -11.646 -9.603 -1.616) 15.180 9.311 ( 3.275 -4.726 5.082) 7.673 11.113 ( -8.972 0.277 -6.468) 11.064 11.639 ( 6.736 21.866 8.048) 24.254 14.532 ( 9.881 -3.789 -0.524) 10.595 15.366 ( -7.468 2.269 1.259) 7.906 15.688 ( 5.799 -4.005 -2.165) 7.373 15.930 ( -5.661 -2.574 -1.072) 6.311 16.875 ( 4.725 -2.968 6.252) 8.380 18.307 ( -1.608 -3.166 -4.169) 5.476 ======================= Grid point 236 (211/441) ======================= q-point: (-0.17 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -7.958 -0.189 2.871) 8.462 5.351 ( -23.620 -1.011 7.316) 24.747 6.348 ( 14.577 -10.324 -18.811) 25.941 7.341 ( -24.104 -1.995 4.715) 24.642 8.085 ( -0.132 2.387 9.607) 9.900 8.833 ( -5.655 -23.342 3.694) 24.300 9.581 ( 2.105 -8.384 -8.178) 11.899 11.326 ( -18.343 4.830 2.152) 19.090 11.907 ( -2.910 7.202 -1.893) 7.995 13.600 ( 7.883 -0.178 -0.099) 7.885 14.553 ( -3.610 -1.843 -0.537) 4.089 15.947 ( 0.747 5.324 15.138) 16.064 17.205 ( -8.018 3.206 -5.992) 10.510 17.604 ( 11.440 -0.060 4.523) 12.302 17.727 ( 5.469 3.209 5.259) 8.238 ======================= Grid point 237 (212/441) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 4.567 -0.505 0.129) 4.596 4.507 ( 33.188 1.985 -1.023) 33.263 6.370 ( 43.258 2.385 -2.253) 43.383 8.271 ( -6.077 20.063 5.264) 21.614 8.648 ( 4.167 16.291 2.926) 17.068 9.519 ( 14.914 -16.214 -3.691) 22.337 10.167 ( 10.535 -21.306 -2.526) 23.902 10.736 ( 4.121 29.678 8.196) 31.064 11.717 ( 4.288 14.123 -6.148) 15.989 13.987 ( -8.953 -0.298 -0.659) 8.982 14.985 ( -4.235 4.759 -2.679) 6.911 15.478 ( -5.684 -4.776 1.626) 7.601 16.341 ( 3.064 -8.471 2.022) 9.233 16.955 ( -1.647 -13.672 -3.153) 14.128 18.270 ( -9.300 -3.903 -6.430) 11.961 ======================= Grid point 238 (213/441) ======================= q-point: (-0.24 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 -11.963 -21.691) 24.771 1.742 ( 0.000 -11.650 -27.434) 29.805 2.582 ( 0.000 -24.224 -31.746) 39.933 6.772 ( -0.000 -8.638 5.005) 9.983 6.809 ( -0.000 -37.253 38.699) 53.716 9.024 ( 0.000 -1.283 -19.732) 19.773 9.450 ( 0.000 7.929 -0.113) 7.930 9.971 ( 0.000 5.156 3.841) 6.429 11.928 ( 0.000 1.730 -14.860) 14.960 14.856 ( -0.000 -1.303 9.035) 9.129 15.217 ( 0.000 28.864 -34.511) 44.990 15.720 ( 0.000 0.990 -11.841) 11.882 16.556 ( 0.000 9.988 -3.111) 10.461 18.136 ( 0.000 10.046 7.840) 12.743 18.863 ( 0.000 5.925 -4.571) 7.483 ======================= Grid point 240 (214/441) ======================= q-point: (-0.32 0.32 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 4.539 3.824 -0.000) 5.935 5.735 ( 17.421 0.661 -0.000) 17.434 6.525 ( 2.865 -33.644 -0.000) 33.766 7.887 ( 2.161 -4.389 -0.000) 4.892 8.076 ( 14.119 -2.497 -0.000) 14.338 9.548 ( 12.281 -22.366 -0.000) 25.516 10.659 ( -8.760 -30.086 -0.000) 31.336 10.999 ( 13.095 17.580 -0.000) 21.921 11.452 ( 7.509 4.938 -0.000) 8.987 13.523 ( -6.026 -2.247 0.000) 6.431 15.342 ( -3.759 7.179 0.000) 8.104 15.515 ( -8.637 6.332 0.000) 10.709 16.493 ( 8.034 8.322 -0.000) 11.567 17.616 ( -5.308 12.093 0.000) 13.207 18.188 ( -20.274 3.781 0.000) 20.624 ======================= Grid point 242 (215/441) ======================= q-point: (-0.40 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -15.755 -0.659 -7.663) 17.533 3.630 ( -5.674 -2.874 -3.904) 7.463 4.548 ( -42.803 -1.672 -0.076) 42.835 7.647 ( -13.743 -28.529 7.947) 32.649 8.423 ( -2.723 1.997 -6.964) 7.740 9.098 ( -17.323 -23.124 5.600) 29.431 9.680 ( -3.749 -9.733 2.915) 10.830 10.037 ( -14.570 14.434 -4.302) 20.956 11.894 ( 17.067 -9.440 -8.248) 21.176 14.328 ( 8.416 0.375 1.015) 8.486 15.051 ( 9.184 -4.299 4.303) 11.015 15.648 ( -3.201 6.446 3.004) 7.799 16.521 ( -4.552 12.901 -5.390) 14.705 17.333 ( 6.953 12.430 7.160) 15.941 18.503 ( 4.891 8.375 0.715) 9.725 ======================= Grid point 244 (216/441) ======================= q-point: (-0.48 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 10.090 -0.813 -0.096) 10.124 3.871 ( 29.056 -3.841 -2.562) 29.420 5.495 ( 47.089 -1.538 0.207) 47.115 8.291 ( -1.712 -10.245 -1.947) 10.568 8.538 ( 5.722 -20.208 1.180) 21.036 9.350 ( 6.934 13.285 3.031) 15.289 9.914 ( 17.230 19.946 -0.155) 26.358 10.557 ( 3.345 -37.178 -1.908) 37.377 11.704 ( 3.189 -8.386 -0.928) 9.020 14.177 ( -9.587 -0.228 0.334) 9.595 15.175 ( -7.322 -2.148 4.896) 9.066 15.533 ( -4.434 3.857 -2.725) 6.478 16.253 ( 2.973 7.424 -2.110) 8.270 17.024 ( -2.203 15.475 -0.240) 15.632 18.490 ( -0.796 8.525 6.480) 10.737 ======================= Grid point 246 (217/441) ======================= q-point: ( 0.45 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -2.753 0.183 0.000) 2.759 5.123 ( -28.723 -3.122 0.000) 28.892 7.101 ( -36.921 -4.888 0.000) 37.243 8.842 ( -0.822 4.916 0.000) 4.984 8.926 ( 5.044 -10.719 -0.000) 11.846 9.667 ( -6.705 20.895 0.000) 21.945 9.686 ( -14.451 -10.716 0.000) 17.991 11.194 ( 6.649 3.261 -0.000) 7.406 12.079 ( -14.787 -18.829 0.000) 23.942 13.788 ( 7.805 -1.213 -0.000) 7.899 15.005 ( 0.406 -1.729 -0.000) 1.777 15.274 ( 5.944 3.397 -0.000) 6.847 16.365 ( -8.118 6.663 0.000) 10.502 16.679 ( -1.222 0.752 0.000) 1.435 17.898 ( 18.053 -6.697 -0.000) 19.255 ======================= Grid point 247 (218/441) ======================= q-point: (-0.09 0.26 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 24.861 -0.000 1.607) 24.913 5.197 ( 34.965 -0.000 -3.901) 35.182 5.404 ( -14.520 -0.000 8.118) 16.635 7.419 ( 35.541 0.000 -8.267) 36.490 8.693 ( -0.018 0.000 -4.022) 4.022 8.694 ( -6.257 0.000 0.137) 6.258 8.714 ( -1.400 -0.000 7.924) 8.047 11.194 ( 19.044 -0.000 -2.504) 19.208 11.656 ( 11.241 -0.000 2.989) 11.631 13.583 ( -6.306 0.000 0.914) 6.372 15.439 ( -7.204 0.000 -18.971) 20.293 16.114 ( -7.788 -0.000 11.779) 14.121 16.914 ( 5.900 -0.000 1.373) 6.058 18.134 ( -7.923 0.000 -1.728) 8.110 18.475 ( -20.192 0.000 -8.764) 22.012 ======================= Grid point 249 (219/441) ======================= q-point: (-0.17 -0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -17.127 -7.734 -13.161) 22.943 3.514 ( -35.498 -3.202 -3.381) 35.802 5.424 ( -42.520 3.189 4.120) 42.838 6.111 ( -11.031 -21.663 7.266) 25.373 8.312 ( -17.160 -6.870 11.376) 21.704 8.562 ( 11.255 10.009 -5.886) 16.171 9.707 ( 5.723 -18.275 -8.881) 21.109 10.369 ( -10.150 4.334 4.172) 11.799 11.314 ( -9.196 4.158 -10.354) 14.459 13.987 ( 9.047 -1.536 -5.236) 10.565 15.089 ( 11.001 1.609 15.528) 19.097 16.405 ( 3.668 10.099 2.481) 11.027 16.767 ( -2.225 0.012 -3.934) 4.519 18.222 ( 6.467 10.267 5.974) 13.525 18.648 ( 12.587 -3.268 14.487) 19.467 ======================= Grid point 250 (220/441) ======================= q-point: ( 0.29 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 1.106 -2.548 -0.177) 2.783 5.873 ( 8.048 2.048 -0.533) 8.322 7.960 ( 3.427 23.176 -1.431) 23.471 8.324 ( 8.288 6.737 2.955) 11.082 8.582 ( -7.899 14.900 0.715) 16.879 10.201 ( 4.878 -19.073 0.686) 19.699 10.443 ( 3.590 -19.809 -3.389) 20.415 10.825 ( -2.899 15.804 0.923) 16.094 12.109 ( 5.459 25.004 -0.496) 25.598 13.550 ( -2.620 0.941 -0.721) 2.876 14.959 ( 0.760 4.837 2.658) 5.571 15.257 ( -0.084 -6.861 -2.181) 7.199 16.773 ( 0.108 -6.543 3.355) 7.354 16.994 ( 8.298 -8.202 0.135) 11.669 17.183 ( -10.632 -6.196 -4.719) 13.180 ======================= Grid point 252 (221/441) ======================= q-point: ( 0.21 -0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -26.058 15.435 0.000) 30.286 2.712 ( -13.361 11.196 0.000) 17.432 3.514 ( -43.081 7.025 0.000) 43.650 7.852 ( -18.389 8.355 0.000) 20.198 8.359 ( 7.368 3.380 -0.000) 8.107 9.423 ( -18.662 -11.977 0.000) 22.175 9.450 ( 6.867 25.296 0.000) 26.211 9.938 ( 0.436 11.694 0.000) 11.702 11.128 ( -3.987 11.837 0.000) 12.490 14.460 ( 8.801 8.848 -0.000) 12.480 15.304 ( -6.664 -1.757 0.000) 6.892 15.765 ( -6.004 -3.634 0.000) 7.018 16.201 ( 2.527 -6.168 -0.000) 6.666 17.427 ( 0.918 -22.484 -0.000) 22.502 18.693 ( -7.383 -11.932 0.000) 14.031 ======================= Grid point 253 (222/441) ======================= q-point: (-0.33 -0.51 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -4.755 1.106 0.749) 4.939 5.381 ( -23.324 -4.660 3.040) 23.979 7.016 ( -2.707 -14.205 0.671) 14.477 7.776 ( -9.713 -14.366 -11.214) 20.651 8.145 ( 1.327 -10.863 7.160) 13.077 9.950 ( -11.634 -25.678 -0.925) 28.206 10.249 ( 6.152 -18.076 1.447) 19.149 11.056 ( -18.994 1.096 -0.496) 19.033 11.335 ( -2.010 20.588 0.683) 20.698 13.591 ( 8.480 -0.617 1.455) 8.626 14.795 ( -7.159 -4.598 -7.375) 11.260 15.429 ( 1.664 5.563 10.655) 12.134 17.114 ( -8.364 7.576 -6.989) 13.274 17.336 ( 1.325 10.638 3.981) 11.435 17.467 ( 13.375 2.493 5.627) 14.723 ======================= Grid point 254 (223/441) ======================= q-point: ( 0.13 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( 10.207 3.561 1.767) 10.954 4.435 ( 39.227 2.756 -2.603) 39.410 6.269 ( 37.996 4.458 1.197) 38.276 7.281 ( -10.189 26.631 -3.367) 28.712 8.141 ( 2.376 2.356 7.020) 7.777 9.279 ( 10.246 24.463 2.330) 26.624 10.246 ( 14.572 -10.667 -5.597) 18.906 10.769 ( 8.215 23.496 -1.353) 24.927 11.029 ( 5.468 -9.445 3.111) 11.348 13.864 ( -8.359 3.760 2.923) 9.621 15.116 ( -5.585 -3.100 -14.052) 15.436 15.865 ( -3.117 -13.842 1.140) 14.234 16.524 ( 1.116 -5.261 6.861) 8.717 17.697 ( -3.041 -15.926 -3.770) 16.646 18.641 ( -12.815 -3.448 -11.808) 17.763 ======================= Grid point 255 (224/441) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 -2.541 -14.981) 15.195 2.498 ( 0.000 -5.486 -14.393) 15.404 3.565 ( 0.000 -4.612 -12.931) 13.729 7.198 ( -0.000 -16.284 4.414) 16.871 7.974 ( -0.000 -30.601 13.780) 33.560 8.996 ( 0.000 14.306 -0.726) 14.324 9.349 ( -0.000 -19.540 3.400) 19.834 9.886 ( 0.000 3.948 0.773) 4.023 12.285 ( 0.000 -2.422 -16.082) 16.263 14.799 ( -0.000 -2.255 5.245) 5.709 15.021 ( 0.000 3.721 -9.281) 10.000 15.833 ( 0.000 2.301 -7.359) 7.710 15.939 ( 0.000 13.858 8.674) 16.349 17.644 ( 0.000 10.498 1.097) 10.555 18.569 ( 0.000 12.735 -7.561) 14.810 ======================= Grid point 259 (225/441) ======================= q-point: ( 0.44 -0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( -10.715 1.430 -6.853) 12.800 3.539 ( -13.626 4.482 6.740) 15.848 4.617 ( -44.289 -0.048 -1.056) 44.302 8.495 ( -12.863 -3.241 -5.779) 14.470 8.622 ( -16.137 -14.634 0.252) 21.786 8.914 ( -0.355 2.944 6.312) 6.974 9.381 ( -4.396 14.863 -1.905) 15.616 11.028 ( -16.584 -29.247 1.120) 33.641 11.887 ( 13.440 16.728 -1.358) 21.501 14.279 ( 9.033 -1.814 0.392) 9.222 15.382 ( 8.645 -7.765 -0.587) 11.635 15.520 ( -4.047 -0.518 1.991) 4.540 16.069 ( -3.259 7.209 -1.544) 8.060 16.806 ( 6.449 6.271 4.193) 9.925 18.307 ( -0.360 0.299 -2.503) 2.547 ======================= Grid point 260 (226/441) ======================= q-point: (-0.10 -0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( -7.053 -0.000 2.649) 7.534 5.728 ( -13.553 -0.000 3.476) 13.992 5.872 ( 19.063 0.000 -8.768) 20.982 7.685 ( -13.631 -0.000 3.258) 14.015 8.319 ( -8.573 -0.000 4.288) 9.585 8.473 ( 3.966 -0.000 -0.403) 3.986 9.474 ( 3.342 0.000 -3.402) 4.769 11.671 ( -10.594 0.000 0.903) 10.633 11.985 ( 2.551 0.000 -1.021) 2.748 13.473 ( 4.254 -0.000 2.424) 4.896 14.632 ( -5.993 0.000 -8.057) 10.042 16.025 ( -2.438 -0.000 14.325) 14.531 17.323 ( 0.363 0.000 -2.839) 2.862 17.519 ( -0.595 0.000 -1.997) 2.084 17.669 ( -0.287 -0.000 2.922) 2.936 ======================= Grid point 261 (227/441) ======================= q-point: ( 0.36 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 10.373 -0.073 0.160) 10.375 3.955 ( 23.695 1.023 0.687) 23.727 5.510 ( 46.635 0.663 -0.326) 46.641 8.549 ( 9.902 7.873 3.075) 13.019 8.945 ( 4.247 18.439 -1.253) 18.963 9.038 ( 3.866 -7.751 -1.436) 8.780 9.484 ( 12.953 -20.229 -0.406) 24.025 11.285 ( 2.170 27.147 2.540) 27.351 11.689 ( 3.387 -9.687 -1.466) 10.366 14.134 ( -8.385 -1.099 -0.882) 8.503 15.195 ( -8.997 2.287 -0.551) 9.300 15.566 ( -4.051 1.876 0.851) 4.545 16.103 ( 4.200 -6.197 -0.089) 7.487 16.809 ( -4.378 -5.450 -0.438) 7.005 18.290 ( -0.065 -2.299 -1.879) 2.969 ======================= Grid point 262 (228/441) ======================= q-point: (-0.18 -0.16 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -13.795 -20.408 -17.843) 30.417 1.680 ( -13.110 -12.269 -30.462) 35.360 2.522 ( -35.813 -8.850 -34.867) 50.760 6.191 ( -0.614 -18.647 37.148) 41.570 7.014 ( -31.132 -4.093 15.883) 35.189 8.928 ( 5.272 -0.529 -21.866) 22.499 9.621 ( -4.166 2.124 -0.732) 4.733 10.116 ( -0.164 7.052 6.963) 9.911 11.647 ( 26.635 -0.782 -12.975) 29.637 14.570 ( 18.884 0.290 -5.816) 19.762 15.540 ( 4.967 4.948 -12.662) 14.473 16.336 ( -13.019 22.704 -2.341) 26.276 16.697 ( 2.349 5.079 -8.485) 10.165 18.455 ( -4.585 13.688 5.085) 15.305 19.040 ( -11.262 3.258 7.329) 13.826 ======================= Grid point 264 (229/441) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 16.429 -2.985 -0.000) 16.698 5.234 ( 33.960 -0.014 -0.000) 33.960 5.931 ( -8.245 -26.743 -0.000) 27.985 7.569 ( 32.992 -3.775 -0.000) 33.207 7.940 ( -3.838 7.797 0.000) 8.691 8.994 ( 3.493 -14.066 -0.000) 14.493 10.043 ( -3.711 -37.591 -0.000) 37.773 10.979 ( 18.143 11.335 -0.000) 21.393 11.441 ( 11.682 8.905 -0.000) 14.689 13.612 ( -6.765 -1.818 0.000) 7.005 15.561 ( -3.674 5.952 0.000) 6.995 15.831 ( -10.047 5.911 0.000) 11.657 16.575 ( 4.978 11.189 0.000) 12.247 17.949 ( -5.767 9.781 0.000) 11.354 18.612 ( -19.328 -0.179 0.000) 19.329 ======================= Grid point 266 (230/441) ======================= q-point: (-0.33 -0.34 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -9.924 -1.658 -3.569) 10.676 3.802 ( -21.381 -4.744 -4.175) 22.296 5.340 ( -42.111 -2.595 4.286) 42.408 7.241 ( -11.254 -33.255 5.405) 35.522 8.422 ( 7.167 2.569 -7.677) 10.812 8.957 ( -26.946 -32.394 0.961) 42.147 9.843 ( -7.761 11.426 3.692) 14.297 10.510 ( -11.669 -1.050 -0.284) 11.720 11.366 ( 13.724 -4.024 -9.353) 17.089 14.149 ( 8.690 -1.381 -1.856) 8.992 14.802 ( 8.948 -2.087 9.264) 13.048 15.838 ( 1.629 10.123 4.389) 11.153 16.767 ( 0.423 7.271 -7.514) 10.464 17.510 ( 3.063 14.321 10.537) 18.042 18.479 ( 10.374 3.419 5.534) 12.245 ======================= Grid point 267 (231/441) ======================= q-point: ( 0.13 0.37 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 1.862 -3.755 -0.862) 4.279 5.778 ( 5.029 3.450 -1.889) 6.385 6.854 ( -0.590 26.699 3.181) 26.894 7.904 ( 11.328 7.212 0.184) 13.430 8.201 ( -4.385 7.042 -0.831) 8.337 9.956 ( 5.055 19.761 3.197) 20.647 10.370 ( -2.067 27.950 -3.295) 28.219 11.218 ( 6.041 -14.051 1.302) 15.350 11.451 ( 1.027 -9.596 -1.615) 9.785 13.521 ( -2.488 0.950 0.385) 2.690 14.724 ( -0.453 4.288 -2.117) 4.804 15.698 ( -0.640 -11.570 -1.337) 11.665 16.987 ( 8.748 -8.085 7.517) 14.085 17.331 ( -10.004 -5.305 -5.991) 12.811 17.605 ( -3.475 -6.937 -3.641) 8.571 ======================= Grid point 270 (232/441) ======================= q-point: (-0.49 -0.51 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -2.194 1.505 0.000) 2.661 5.546 ( -21.562 -3.955 0.000) 21.922 7.580 ( -25.571 -11.645 0.000) 28.098 8.516 ( 7.065 -14.657 -0.000) 16.271 8.664 ( 2.651 -15.583 -0.000) 15.807 10.026 ( -15.082 10.025 0.000) 18.110 10.259 ( -2.899 26.151 0.000) 26.312 10.962 ( 6.974 -11.651 -0.000) 13.579 11.884 ( -14.296 -27.119 0.000) 30.657 13.621 ( 6.476 -1.316 -0.000) 6.608 15.006 ( -3.957 -1.489 0.000) 4.227 15.213 ( 4.526 1.254 -0.000) 4.697 16.768 ( -12.070 11.754 0.000) 16.848 16.832 ( -3.286 9.230 0.000) 9.798 17.392 ( 21.718 -2.909 -0.000) 21.912 ======================= Grid point 273 (233/441) ======================= q-point: (-0.56 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 0.000 4.187 -12.464) 13.149 2.690 ( 0.000 3.525 -2.401) 4.265 3.601 ( -0.000 3.632 7.997) 8.783 7.886 ( -0.000 -19.191 1.981) 19.293 8.353 ( 0.000 17.379 -1.335) 17.430 8.417 ( 0.000 -1.946 -7.962) 8.196 9.577 ( -0.000 2.275 10.457) 10.702 10.553 ( -0.000 -27.957 3.773) 28.211 12.274 ( 0.000 17.020 -6.346) 18.165 14.843 ( -0.000 -2.715 1.063) 2.915 15.047 ( -0.000 -0.103 2.714) 2.716 15.605 ( -0.000 -4.820 0.306) 4.830 15.795 ( 0.000 3.496 -1.451) 3.785 17.199 ( 0.000 6.878 5.612) 8.877 18.267 ( 0.000 7.004 -8.524) 11.033 ======================= Grid point 274 (234/441) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -16.024 0.000 -8.040) 17.928 4.228 ( -38.290 0.000 4.863) 38.598 5.995 ( -2.973 0.000 -10.039) 10.470 6.316 ( -39.247 -0.000 10.378) 40.596 8.478 ( -8.054 -0.000 7.267) 10.848 8.494 ( 7.958 -0.000 6.469) 10.255 9.335 ( 6.655 0.000 -15.828) 17.170 10.690 ( -16.952 -0.000 4.729) 17.599 11.592 ( -12.084 0.000 -6.648) 13.791 13.808 ( 7.442 0.000 -4.777) 8.844 14.899 ( 9.314 -0.000 18.075) 20.334 16.389 ( 6.655 -0.000 3.949) 7.738 16.871 ( -6.497 0.000 -2.008) 6.800 18.190 ( 8.510 -0.000 3.110) 9.060 18.309 ( 15.344 -0.000 16.062) 22.214 ======================= Grid point 275 (235/441) ======================= q-point: ( 0.36 0.31 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 1.612 -0.574 -0.047) 1.712 5.635 ( 19.839 1.664 -0.854) 19.927 7.841 ( 28.712 4.229 -3.567) 29.240 8.541 ( -4.279 8.012 7.153) 11.561 8.953 ( -3.062 7.087 -0.750) 7.757 9.763 ( 5.708 -10.133 0.666) 11.649 9.997 ( 8.767 -8.147 -3.067) 12.355 11.084 ( -2.429 3.926 1.061) 4.737 12.353 ( 9.592 12.261 -1.416) 15.631 13.659 ( -6.546 0.485 -0.477) 6.582 15.025 ( 1.572 3.124 0.012) 3.497 15.181 ( -3.611 -3.834 0.123) 5.268 16.539 ( 11.908 -4.429 1.518) 12.795 16.691 ( -0.339 -4.591 -0.147) 4.606 17.546 ( -21.080 2.564 -2.370) 21.367 ======================= Grid point 277 (236/441) ======================= q-point: ( 0.28 -0.28 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -6.837 3.763 0.000) 7.804 3.144 ( -30.248 9.207 0.000) 31.619 4.548 ( -48.382 3.553 0.000) 48.512 8.338 ( 4.524 7.488 -0.000) 8.749 8.381 ( -14.958 11.510 0.000) 18.874 9.377 ( 2.064 -8.533 -0.000) 8.779 9.518 ( -19.970 -17.342 0.000) 26.449 10.597 ( 4.807 41.208 0.000) 41.487 11.464 ( -10.388 6.181 0.000) 12.088 14.379 ( 10.248 1.773 -0.000) 10.400 15.392 ( -1.869 1.642 0.000) 2.488 15.604 ( 10.554 -5.268 -0.000) 11.795 16.122 ( -4.078 -4.351 0.000) 5.963 16.997 ( 0.143 -17.603 -0.000) 17.603 18.581 ( -5.149 -11.045 -0.000) 12.186 ======================= Grid point 278 (237/441) ======================= q-point: (-0.26 0.42 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -6.071 1.605 0.930) 6.348 5.692 ( -14.554 -2.066 -0.010) 14.700 6.446 ( 18.711 -19.241 -0.927) 26.855 7.843 ( -13.901 -5.983 -2.456) 15.332 7.977 ( 0.228 -4.138 3.397) 5.359 9.562 ( -10.721 -33.643 0.855) 35.320 9.755 ( 9.518 -12.539 -0.774) 15.761 11.486 ( -11.445 7.626 -0.788) 13.775 11.693 ( 2.907 14.491 0.448) 14.786 13.442 ( 4.293 -1.046 2.199) 4.936 14.892 ( -8.991 -1.637 -13.536) 16.332 15.570 ( -3.626 5.853 15.185) 16.673 17.190 ( 14.779 7.152 2.604) 16.624 17.433 ( -10.853 4.711 -5.621) 13.099 17.622 ( -7.001 3.337 2.426) 8.127 ======================= Grid point 279 (238/441) ======================= q-point: ( 0.20 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 11.445 2.848 1.301) 11.866 3.778 ( 32.616 5.160 2.893) 33.148 5.456 ( 47.167 2.065 -0.052) 47.212 8.023 ( -7.582 21.007 -4.185) 22.722 8.206 ( 2.444 8.127 3.796) 9.296 9.489 ( 14.908 10.389 0.189) 18.172 9.912 ( 4.857 12.754 -2.953) 13.964 10.284 ( 20.006 -15.260 1.296) 25.195 11.413 ( -2.755 18.697 3.408) 19.204 14.130 ( -9.644 4.108 1.900) 10.653 15.168 ( -5.704 -1.644 -9.327) 11.056 15.678 ( -3.379 -9.883 1.650) 10.574 16.390 ( 2.105 -5.954 5.101) 8.118 17.384 ( -2.488 -18.828 -1.715) 19.069 18.672 ( -2.992 -8.777 -8.977) 12.906 ======================= Grid point 280 (239/441) ======================= q-point: (-0.34 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -5.730 -5.248 -17.853) 19.470 2.657 ( -23.959 -8.076 -18.959) 31.602 3.467 ( -5.542 -6.948 -17.230) 19.387 6.892 ( -2.738 -27.603 15.438) 31.745 7.342 ( -21.359 -33.974 17.076) 43.613 9.025 ( 11.004 4.225 -3.492) 12.294 9.478 ( -13.365 8.362 -3.225) 16.092 9.900 ( 2.344 1.355 -0.605) 2.774 12.054 ( 12.268 -8.261 -11.652) 18.828 14.637 ( 8.974 -1.594 0.577) 9.132 15.308 ( -4.477 12.197 -9.231) 15.939 15.848 ( 1.756 6.234 -0.405) 6.489 16.359 ( -7.641 15.087 -3.470) 17.264 17.835 ( -0.086 9.511 5.775) 11.128 18.800 ( 0.879 10.368 -5.559) 11.797 ======================= Grid point 281 (240/441) ======================= q-point: ( 0.13 -0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -8.083 -0.235 0.687) 8.115 5.149 ( -31.993 1.251 4.415) 32.320 6.750 ( -5.434 24.538 -12.842) 28.223 7.267 ( -14.831 7.729 13.164) 21.284 8.201 ( -3.055 3.144 -7.180) 8.412 9.464 ( -9.524 25.327 -5.611) 27.634 10.512 ( -9.244 1.460 7.275) 11.854 10.831 ( -3.710 16.641 0.221) 17.051 11.237 ( -11.730 -13.635 -0.081) 17.986 13.707 ( 7.517 2.721 -2.448) 8.361 15.012 ( 5.004 -1.586 13.750) 14.718 15.801 ( 3.375 -13.403 -1.277) 13.880 16.560 ( -2.996 -6.370 -7.534) 10.310 17.635 ( 3.410 -14.027 3.648) 14.890 18.339 ( 17.285 -2.053 11.369) 20.790 ======================= Grid point 284 (241/441) ======================= q-point: (-0.49 -0.34 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -5.877 0.703 -1.145) 6.029 3.946 ( -23.144 -0.563 0.013) 23.150 5.433 ( -42.282 -3.674 1.226) 42.459 8.420 ( -12.236 -27.195 -0.386) 29.823 8.609 ( -4.661 -6.572 -3.805) 8.911 9.170 ( -8.397 14.892 2.651) 17.300 9.939 ( -8.749 22.411 -0.666) 24.068 10.670 ( -20.821 -39.991 -1.245) 45.104 11.733 ( 16.904 -1.558 -0.077) 16.976 14.106 ( 8.375 1.056 1.196) 8.526 15.039 ( 6.067 -10.015 0.573) 11.724 15.558 ( 1.801 1.854 1.074) 2.799 16.356 ( -2.537 14.585 -2.171) 14.962 16.856 ( 4.920 9.529 4.672) 11.697 18.283 ( 5.679 1.412 0.378) 5.865 ======================= Grid point 287 (242/441) ======================= q-point: (-0.11 -0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -24.602 0.000 -19.246) 31.235 1.963 ( -27.742 0.000 -20.326) 34.391 3.373 ( -52.972 0.000 -20.983) 56.976 6.037 ( -1.898 -0.000 31.866) 31.923 7.626 ( -31.148 -0.000 21.581) 37.894 8.831 ( 5.282 0.000 -19.179) 19.893 9.639 ( 3.801 0.000 -1.329) 4.026 10.225 ( -4.090 -0.000 5.297) 6.693 11.137 ( 18.033 0.000 -17.256) 24.959 14.251 ( 12.863 0.000 -9.593) 16.046 15.529 ( 1.343 0.000 -2.509) 2.845 16.653 ( -1.451 -0.000 2.699) 3.064 16.655 ( 4.590 0.000 -5.994) 7.549 18.586 ( 3.711 0.000 -0.632) 3.764 19.268 ( -1.494 -0.000 21.272) 21.325 ======================= Grid point 289 (243/441) ======================= q-point: (-0.19 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 26.273 -10.056 -0.000) 28.132 4.434 ( 45.244 -0.724 -0.000) 45.250 5.804 ( -14.568 -9.131 0.000) 17.193 6.644 ( 46.668 -7.512 -0.000) 47.269 8.307 ( -4.505 17.786 0.000) 18.348 8.809 ( -0.933 -4.431 -0.000) 4.528 9.381 ( -3.661 -32.167 -0.000) 32.374 10.786 ( 17.856 5.657 -0.000) 18.731 11.309 ( 15.561 4.395 -0.000) 16.170 13.702 ( -5.406 -1.223 0.000) 5.543 15.698 ( -0.851 2.736 0.000) 2.865 16.122 ( -9.668 3.053 0.000) 10.139 16.707 ( 3.771 9.007 0.000) 9.765 18.231 ( -6.118 5.985 0.000) 8.559 18.966 ( -18.176 -0.681 0.000) 18.189 ======================= Grid point 290 (244/441) ======================= q-point: ( 0.28 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 15.847 -5.544) 16.789 2.326 ( 0.000 12.879 4.546) 13.658 3.144 ( -0.000 6.123 13.748) 15.049 7.653 ( 0.000 16.907 -1.668) 16.990 8.593 ( 0.000 3.751 -9.573) 10.281 8.641 ( -0.000 -17.505 0.648) 17.517 9.568 ( -0.000 -11.247 7.263) 13.388 10.571 ( 0.000 39.120 -16.978) 42.645 11.461 ( -0.000 5.022 23.912) 24.433 14.924 ( 0.000 7.433 1.940) 7.681 14.978 ( 0.000 -2.980 -2.936) 4.183 15.613 ( -0.000 4.185 3.591) 5.514 16.034 ( -0.000 -9.800 -7.298) 12.219 17.146 ( -0.000 -13.986 8.971) 16.616 18.373 ( -0.000 -5.262 -3.923) 6.563 ======================= Grid point 291 (245/441) ======================= q-point: (-0.26 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -6.589 -2.330 -2.270) 7.349 4.249 ( -31.168 -4.065 2.355) 31.520 6.097 ( -38.704 -1.462 7.796) 39.509 6.821 ( -8.390 -25.556 -7.558) 27.940 8.288 ( 8.936 0.283 -0.098) 8.941 8.833 ( -17.159 -22.490 1.351) 28.320 10.105 ( 3.307 -14.442 -4.244) 15.412 10.439 ( -13.424 2.932 4.174) 14.360 11.466 ( -5.917 11.943 -6.224) 14.710 13.946 ( 8.455 -1.493 -4.134) 9.529 14.620 ( 5.483 -1.813 11.439) 12.814 15.971 ( 6.267 10.048 9.480) 15.170 16.878 ( -3.037 3.210 -6.001) 7.452 17.729 ( 3.489 11.700 9.399) 15.408 18.245 ( 15.039 -0.826 6.700) 16.484 ======================= Grid point 292 (246/441) ======================= q-point: ( 0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 3.138 -2.770 -0.999) 4.303 5.599 ( 18.998 2.041 -3.739) 19.470 7.461 ( -2.794 26.173 0.641) 26.330 7.718 ( 24.037 9.464 3.668) 26.092 8.424 ( -2.345 9.328 2.298) 9.889 10.276 ( 6.844 17.873 2.270) 19.273 10.464 ( 9.101 -7.462 0.083) 11.770 10.871 ( 0.725 -17.595 -0.253) 17.611 11.482 ( 7.058 25.468 -5.539) 27.002 13.635 ( -6.714 1.126 0.515) 6.827 14.829 ( -0.449 4.778 -3.407) 5.886 15.491 ( -1.864 -10.700 -1.553) 10.971 16.671 ( 7.349 -6.562 7.851) 12.598 17.223 ( -1.291 -14.278 -3.498) 14.756 17.732 ( -17.764 -3.777 -9.663) 20.572 ======================= Grid point 295 (247/441) ======================= q-point: (-0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( -2.503 3.118 0.000) 3.999 5.810 ( -12.398 -2.992 0.000) 12.754 7.416 ( 2.854 -26.160 -0.000) 26.315 8.266 ( -4.546 -7.087 0.000) 8.420 8.267 ( 4.221 -14.643 -0.000) 15.239 10.444 ( 8.402 -18.537 -0.000) 20.353 10.477 ( -13.395 2.168 0.000) 13.569 10.840 ( 1.991 24.080 0.000) 24.163 11.596 ( -10.177 -22.233 -0.000) 24.451 13.490 ( 2.964 -2.012 -0.000) 3.582 15.109 ( -7.742 0.372 0.000) 7.751 15.185 ( 1.884 3.097 -0.000) 3.625 16.928 ( 18.797 2.738 -0.000) 18.995 17.143 ( -5.713 11.576 0.000) 12.909 17.314 ( -14.697 9.777 0.000) 17.652 ======================= Grid point 297 (248/441) ======================= q-point: (-0.50 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -4.473 1.965 -14.230) 15.046 3.037 ( -27.476 0.953 -7.130) 28.402 3.647 ( 1.509 2.331 3.623) 4.565 7.588 ( -9.483 -19.342 3.405) 21.810 8.300 ( 0.558 -4.855 -5.344) 7.242 8.824 ( -11.086 10.665 0.427) 15.389 9.610 ( 2.993 3.547 10.361) 11.353 9.919 ( -4.954 -33.075 3.011) 33.579 12.454 ( 6.947 5.377 -10.763) 13.893 14.665 ( 8.854 -0.982 2.120) 9.157 15.178 ( -8.586 -0.862 -0.329) 8.635 15.526 ( 4.153 1.228 5.836) 7.268 15.972 ( -8.248 7.031 -3.169) 11.292 17.351 ( 3.993 10.946 3.700) 12.225 18.438 ( 3.095 11.844 -8.486) 14.895 ======================= Grid point 299 (249/441) ======================= q-point: (-0.57 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 2.642 0.746 0.061) 2.746 5.170 ( 29.579 0.835 0.382) 29.593 7.214 ( 38.083 0.304 -1.458) 38.112 8.520 ( -3.780 -16.997 0.917) 17.436 8.917 ( -1.090 -12.098 -2.696) 12.442 9.572 ( 12.056 8.171 0.267) 14.567 9.974 ( 8.758 19.807 3.535) 21.943 11.047 ( -2.864 -13.777 -3.189) 14.429 12.220 ( 11.970 -3.677 2.733) 12.817 13.815 ( -8.323 0.291 -0.185) 8.330 15.023 ( -0.181 -0.647 0.851) 1.084 15.253 ( -6.517 0.475 -1.904) 6.806 16.303 ( 6.614 0.837 -0.824) 6.717 16.748 ( -0.625 7.785 1.156) 7.896 18.011 ( -16.630 5.434 2.502) 17.673 ======================= Grid point 301 (250/441) ======================= q-point: ( 0.35 -0.35 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -5.211 0.805 0.000) 5.273 3.884 ( -31.995 3.050 0.000) 32.140 5.513 ( -45.447 -0.081 0.000) 45.447 8.516 ( -0.377 13.774 0.000) 13.780 8.918 ( -14.596 11.680 0.000) 18.694 9.186 ( 2.446 -4.543 -0.000) 5.160 9.478 ( -17.799 -22.881 0.000) 28.988 11.196 ( 8.511 28.173 0.000) 29.431 11.727 ( -15.530 -7.000 0.000) 17.034 14.163 ( 9.270 -2.799 -0.000) 9.684 15.280 ( 11.277 -3.242 -0.000) 11.734 15.432 ( 4.144 4.317 -0.000) 5.984 16.125 ( -3.818 -2.442 0.000) 4.532 16.730 ( -0.374 -8.585 -0.000) 8.593 18.432 ( 0.889 -8.328 -0.000) 8.376 ======================= Grid point 302 (251/441) ======================= q-point: (-0.19 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( -2.911 1.854 -0.393) 3.474 5.614 ( 17.448 -13.077 1.015) 21.828 5.903 ( 0.064 -2.654 1.029) 2.847 7.922 ( -3.253 -2.992 -3.009) 5.346 8.096 ( -5.010 11.664 1.003) 12.734 9.043 ( -6.397 -31.632 -1.359) 32.301 9.338 ( 15.525 -6.018 2.400) 16.823 11.719 ( 4.815 5.718 -2.770) 7.972 11.821 ( 2.792 5.949 2.532) 7.043 13.396 ( -1.565 -0.789 2.256) 2.856 15.070 ( -10.173 0.193 -18.197) 20.849 15.778 ( -6.681 3.685 16.619) 18.287 17.119 ( 9.549 7.871 1.599) 12.478 17.733 ( -11.980 2.575 -4.126) 12.930 17.808 ( -11.318 -1.675 -2.102) 11.632 ======================= Grid point 304 (252/441) ======================= q-point: (-0.27 -0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -16.966 -7.438 -16.355) 24.712 2.793 ( -15.129 -16.497 -23.051) 32.131 3.756 ( -33.303 -0.977 -11.469) 35.236 6.254 ( -9.865 -37.346 26.780) 47.002 7.485 ( -30.488 -11.836 13.636) 35.434 8.901 ( 14.183 8.026 -9.309) 18.768 9.870 ( -10.298 -3.343 -6.233) 12.493 9.929 ( -4.463 7.655 4.035) 9.736 11.554 ( 17.191 -8.333 -12.977) 23.095 14.414 ( 10.225 -1.619 -3.867) 11.051 15.440 ( 8.801 5.988 -0.614) 10.663 16.112 ( -3.593 14.374 4.306) 15.429 16.717 ( -1.274 8.526 -11.201) 14.135 18.085 ( -0.652 13.819 9.743) 16.921 18.933 ( 2.358 4.688 3.597) 6.362 ======================= Grid point 305 (253/441) ======================= q-point: ( 0.19 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -3.004 -3.312 0.946) 4.570 5.662 ( -18.081 0.655 2.990) 18.339 7.356 ( -0.512 29.533 -8.006) 30.603 7.776 ( -20.264 7.637 7.381) 22.879 8.358 ( -0.369 8.062 -4.815) 9.397 10.186 ( -7.947 25.866 -6.083) 27.735 10.511 ( -9.985 -17.523 3.897) 20.541 10.872 ( 0.734 -13.853 -0.210) 13.874 11.581 ( -5.067 25.589 5.017) 26.564 13.614 ( 6.373 1.871 -1.602) 6.833 14.935 ( 2.352 1.340 7.746) 8.205 15.489 ( 2.036 -11.428 -1.797) 11.746 16.531 ( -6.764 -4.867 -7.117) 10.959 17.281 ( 2.417 -14.739 2.776) 15.191 17.901 ( 19.134 -5.701 8.271) 21.611 ======================= Grid point 307 (254/441) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 23.979 0.000) 23.979 1.545 ( 0.000 21.612 0.000) 21.612 2.541 ( 0.000 21.457 0.000) 21.457 7.073 ( 0.000 11.812 0.000) 11.812 8.453 ( 0.000 6.114 0.000) 6.114 8.732 ( 0.000 44.997 0.000) 44.997 9.244 ( -0.000 -11.795 -0.000) 11.795 10.129 ( -0.000 -11.091 -0.000) 11.091 10.846 ( 0.000 11.557 0.000) 11.557 14.426 ( 0.000 12.033 0.000) 12.033 15.166 ( -0.000 -3.225 -0.000) 3.225 15.370 ( 0.000 4.171 0.000) 4.171 16.405 ( -0.000 -5.587 -0.000) 5.587 17.911 ( -0.000 -21.430 -0.000) 21.430 18.676 ( -0.000 -6.410 -0.000) 6.410 ======================= Grid point 308 (255/441) ======================= q-point: (-0.42 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( -3.966 0.406 0.155) 3.990 4.406 ( -27.920 -4.086 0.553) 28.222 6.134 ( -38.593 -5.756 4.057) 39.230 8.046 ( -7.158 -26.464 -5.443) 27.951 8.480 ( 2.329 -8.254 -1.287) 8.673 9.706 ( -11.181 12.928 2.840) 17.327 10.262 ( -22.272 -32.263 -6.820) 39.793 10.574 ( -12.435 10.950 3.953) 17.034 11.255 ( 16.111 -8.666 0.368) 18.298 13.961 ( 9.222 1.189 1.167) 9.371 14.774 ( 0.427 -9.092 0.075) 9.102 15.535 ( 6.208 4.107 3.496) 8.224 16.704 ( -2.436 13.059 -6.196) 14.659 17.018 ( 0.337 12.034 7.992) 14.449 18.118 ( 13.545 1.058 2.815) 13.874 ======================= Grid point 313 (256/441) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 28.667 -0.000 -0.000) 28.667 3.477 ( 49.826 -0.000 -0.000) 49.826 5.449 ( 60.524 -0.000 -0.000) 60.524 6.116 ( -20.365 0.000 0.000) 20.365 8.578 ( 6.361 -0.000 -0.000) 6.361 8.747 ( 4.507 -0.000 -0.000) 4.507 9.119 ( -13.280 0.000 0.000) 13.280 10.549 ( 11.382 -0.000 -0.000) 11.382 11.024 ( 17.186 -0.000 -0.000) 17.186 13.782 ( -4.340 0.000 0.000) 4.340 15.705 ( 2.787 -0.000 -0.000) 2.787 16.323 ( -7.496 0.000 0.000) 7.496 16.749 ( 2.180 -0.000 -0.000) 2.180 18.411 ( -5.399 0.000 0.000) 5.399 19.306 ( -16.229 0.000 0.000) 16.229 ======================= Grid point 314 (257/441) ======================= q-point: ( 0.34 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -6.055 9.605 -12.120) 16.607 2.851 ( -24.969 9.909 3.007) 27.032 3.301 ( -6.162 4.413 12.485) 14.605 8.079 ( -7.067 15.434 -1.476) 17.039 8.316 ( -4.830 -15.184 -0.842) 15.956 8.694 ( -5.517 -1.309 -8.715) 10.397 9.362 ( 1.822 -5.991 10.450) 12.183 10.976 ( -4.676 -5.410 -5.610) 9.089 11.751 ( 4.190 27.279 7.375) 28.568 14.732 ( 10.412 -3.337 -0.206) 10.935 15.181 ( -10.683 0.310 1.549) 10.799 15.737 ( -1.073 1.770 -0.640) 2.167 15.841 ( -2.200 -7.538 -3.524) 8.607 16.957 ( 3.213 -1.288 7.533) 8.290 18.307 ( 1.095 -0.288 -5.067) 5.192 ======================= Grid point 315 (258/441) ======================= q-point: (-0.20 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -7.746 -1.133 0.401) 7.839 4.805 ( -30.800 -2.136 7.836) 31.853 6.526 ( 1.476 -11.258 -21.586) 24.390 6.785 ( -32.142 -0.328 7.869) 33.093 8.120 ( 5.393 -0.476 12.395) 13.526 8.697 ( -8.453 -16.255 3.548) 18.662 9.650 ( 5.194 -11.465 -10.828) 16.603 10.932 ( -20.697 4.846 3.672) 21.571 11.807 ( -6.918 6.983 -3.469) 10.424 13.763 ( 8.262 -0.436 -3.673) 9.052 14.520 ( 0.770 -1.554 7.860) 8.049 16.008 ( 5.495 5.581 14.834) 16.775 17.049 ( -7.706 2.614 -4.895) 9.496 17.791 ( 7.776 3.039 8.146) 11.665 17.926 ( 13.587 0.685 4.389) 14.294 ======================= Grid point 316 (259/441) ======================= q-point: ( 0.27 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 3.041 -1.349 -0.355) 3.346 5.141 ( 29.781 1.355 -2.329) 29.903 7.169 ( 37.350 3.558 -3.284) 37.662 8.141 ( -6.308 23.495 6.612) 25.210 8.693 ( 0.377 14.633 4.251) 15.243 9.820 ( 14.702 -16.626 -3.428) 22.457 10.336 ( 6.785 -21.285 -3.953) 22.687 10.775 ( 0.651 21.457 8.391) 23.049 11.860 ( 9.007 21.178 -6.997) 24.054 13.811 ( -8.710 0.473 -0.205) 8.725 14.936 ( -0.959 4.626 -2.071) 5.159 15.369 ( -4.861 -6.709 0.958) 8.340 16.421 ( 5.348 -6.347 3.643) 9.064 16.934 ( -0.627 -13.772 -3.409) 14.201 18.014 ( -16.378 -3.182 -6.807) 18.020 ======================= Grid point 319 (260/441) ======================= q-point: (-0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( -1.229 4.341 0.000) 4.511 5.903 ( -0.250 -0.654 -0.000) 0.700 6.656 ( 10.340 -31.455 -0.000) 33.111 7.956 ( 4.198 -6.449 -0.000) 7.695 8.205 ( -0.474 -5.715 -0.000) 5.735 9.819 ( 13.955 -19.347 -0.000) 23.855 10.458 ( -11.472 -28.407 -0.000) 30.636 11.208 ( 8.025 19.732 0.000) 21.302 11.514 ( -1.560 2.779 0.000) 3.187 13.438 ( -2.177 -2.149 0.000) 3.059 15.283 ( -2.116 6.057 0.000) 6.416 15.321 ( -10.662 2.413 0.000) 10.932 16.708 ( 13.685 8.097 -0.000) 15.902 17.496 ( -6.797 10.361 0.000) 12.392 17.802 ( -18.322 4.838 0.000) 18.950 ======================= Grid point 321 (261/441) ======================= q-point: (-0.43 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -11.138 -0.342 -13.606) 17.586 3.550 ( -10.764 -4.859 -9.623) 15.234 3.786 ( -26.772 2.578 1.516) 26.939 7.380 ( -12.397 -25.827 8.255) 29.814 8.226 ( -16.213 -15.733 -2.511) 22.731 8.915 ( -1.395 -14.907 7.567) 16.776 9.617 ( -5.828 -2.350 0.577) 6.310 9.803 ( -6.299 11.081 -2.503) 12.990 12.206 ( 14.068 -8.148 -10.086) 19.132 14.490 ( 8.034 -0.278 1.304) 8.144 15.221 ( 6.471 0.696 0.375) 6.519 15.572 ( -2.727 6.718 5.609) 9.166 16.379 ( -9.818 13.033 -4.896) 17.036 17.469 ( 6.241 10.618 5.701) 13.571 18.600 ( 5.107 11.261 -4.198) 13.058 ======================= Grid point 323 (262/441) ======================= q-point: (-0.51 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.305 ( 5.139 0.326 -0.418) 5.166 4.524 ( 34.967 -1.315 0.811) 35.001 6.391 ( 43.545 -1.566 0.161) 43.573 8.214 ( -5.864 -18.362 -1.016) 19.302 8.588 ( 0.775 -18.567 -3.513) 18.912 9.584 ( 14.994 16.608 3.318) 22.620 10.210 ( 12.545 20.509 2.061) 24.129 10.602 ( 1.634 -30.347 -6.103) 30.998 11.815 ( 7.543 -14.562 4.477) 17.000 13.989 ( -9.518 -0.927 -0.360) 9.570 15.053 ( -4.609 -0.747 4.653) 6.591 15.431 ( -5.535 5.249 -3.339) 8.327 16.300 ( 2.206 5.889 -2.372) 6.721 17.000 ( -0.556 15.355 1.844) 15.475 18.394 ( -9.110 7.174 6.643) 13.364 ======================= Grid point 325 (263/441) ======================= q-point: ( 0.42 -0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -3.860 0.350 0.000) 3.876 4.522 ( -31.280 -1.645 0.000) 31.324 6.326 ( -41.330 -3.960 0.000) 41.519 8.826 ( -0.713 8.808 0.000) 8.837 8.955 ( -2.740 -14.168 -0.000) 14.431 9.363 ( -18.175 -16.760 0.000) 24.723 9.546 ( -4.901 25.690 0.000) 26.153 11.368 ( 11.032 7.841 -0.000) 13.535 11.752 ( -18.127 -22.903 0.000) 29.209 13.945 ( 8.041 -1.582 -0.000) 8.195 15.058 ( 5.162 -2.909 -0.000) 5.925 15.405 ( 6.794 3.645 -0.000) 7.710 16.234 ( -5.353 5.652 0.000) 7.785 16.661 ( -0.413 0.950 0.000) 1.036 18.181 ( 10.367 -5.763 -0.000) 11.861 ======================= Grid point 326 (264/441) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 13.296 -0.000 -1.746) 13.410 5.240 ( 0.348 -0.000 9.217) 9.224 5.728 ( 17.995 0.000 -3.446) 18.322 7.870 ( 9.989 0.000 -9.806) 13.997 8.513 ( -7.888 -0.000 4.438) 9.051 8.651 ( -4.543 0.000 -3.671) 5.841 8.912 ( 17.620 -0.000 5.942) 18.595 11.547 ( 16.103 -0.000 -2.703) 16.329 11.820 ( 5.219 -0.000 2.701) 5.877 13.462 ( -5.506 -0.000 1.537) 5.717 15.274 ( -9.506 0.000 -20.179) 22.306 15.959 ( -7.732 -0.000 15.029) 16.902 17.047 ( 7.563 -0.000 1.510) 7.712 17.968 ( -8.836 0.000 -1.697) 8.998 18.084 ( -18.988 0.000 -7.314) 20.348 ======================= Grid point 328 (265/441) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -20.890 -9.928 -17.580) 29.052 2.901 ( -25.873 -6.702 -15.344) 30.819 4.559 ( -44.087 1.854 -3.063) 44.232 5.871 ( -12.806 -21.838 21.643) 33.306 7.884 ( -25.932 -5.522 15.635) 30.780 8.812 ( 13.512 9.941 -10.799) 19.950 9.773 ( 0.860 -12.583 -5.804) 13.883 10.212 ( -7.153 4.107 3.864) 9.108 11.237 ( 2.922 0.003 -14.368) 14.663 14.178 ( 10.335 -1.271 -5.773) 11.906 15.314 ( 11.531 2.377 9.169) 14.923 16.440 ( -0.095 12.775 2.508) 13.020 16.761 ( 1.545 -1.583 -6.453) 6.821 18.334 ( 4.651 12.314 6.055) 14.488 18.855 ( 8.093 -2.333 14.125) 16.445 ======================= Grid point 329 (266/441) ======================= q-point: ( 0.26 -0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -0.382 -2.874 0.199) 2.906 5.904 ( -5.072 1.009 0.980) 5.263 7.961 ( -1.400 26.464 -1.622) 26.550 8.291 ( -14.418 4.931 1.703) 15.333 8.530 ( 3.847 14.199 -1.901) 14.834 10.224 ( -2.459 -21.437 1.378) 21.622 10.500 ( 1.737 -18.293 -0.291) 18.378 10.759 ( -3.742 18.037 -2.192) 18.551 12.162 ( -0.043 23.907 2.061) 23.996 13.550 ( 2.616 1.030 -0.736) 2.906 14.968 ( 0.340 3.982 3.122) 5.071 15.266 ( 0.681 -7.748 -1.722) 7.966 16.650 ( -10.483 -1.462 -3.184) 11.052 16.974 ( -1.363 -11.844 -0.241) 11.925 17.373 ( 18.797 -8.581 4.440) 21.135 ======================= Grid point 331 (267/441) ======================= q-point: ( 0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -13.275 20.982 0.000) 24.828 2.285 ( -27.675 15.144 0.000) 31.548 2.958 ( -12.622 9.360 0.000) 15.714 7.505 ( -14.827 11.718 0.000) 18.898 8.499 ( 6.479 4.024 -0.000) 7.627 9.110 ( -12.601 -12.867 0.000) 18.009 9.575 ( 4.951 25.296 0.000) 25.776 9.952 ( 0.826 11.654 0.000) 11.684 11.072 ( -1.714 9.144 0.000) 9.303 14.614 ( 6.413 10.785 -0.000) 12.548 15.167 ( -6.453 -2.412 0.000) 6.889 15.581 ( -10.066 2.047 0.000) 10.272 16.257 ( 2.152 -7.020 -0.000) 7.343 17.444 ( 0.712 -22.583 -0.000) 22.594 18.575 ( -4.097 -8.735 -0.000) 9.648 ======================= Grid point 332 (268/441) ======================= q-point: (-0.36 -0.48 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( -4.346 -0.008 0.488) 4.373 4.864 ( -28.150 -5.326 3.371) 28.847 6.690 ( -28.102 -5.983 5.151) 29.190 7.670 ( -4.448 -20.577 -15.133) 25.927 8.199 ( 5.168 -10.583 6.398) 13.403 9.710 ( -12.552 -27.929 0.303) 30.621 10.354 ( 0.531 -9.599 -4.049) 10.431 10.652 ( -17.582 -4.726 5.365) 18.980 11.285 ( -2.367 19.731 -1.376) 19.920 13.783 ( 10.422 0.395 0.869) 10.466 14.664 ( -5.509 -6.566 -2.770) 9.008 15.505 ( 5.868 5.248 8.818) 11.821 16.978 ( -5.331 7.393 -7.392) 11.736 17.300 ( -1.533 12.434 7.854) 14.787 17.818 ( 18.145 1.194 3.629) 18.543 ======================= Grid point 338 (269/441) ======================= q-point: ( 0.41 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -9.903 3.807 -13.077) 16.840 3.367 ( -6.448 6.876 12.915) 15.989 3.786 ( -38.040 1.824 -2.292) 38.152 8.198 ( -15.362 -16.890 0.036) 22.831 8.415 ( -5.798 2.396 -4.829) 7.917 8.856 ( -5.719 6.057 0.837) 8.372 9.322 ( -1.320 6.213 4.154) 7.589 10.742 ( -12.057 -30.410 1.762) 32.761 12.131 ( 10.912 20.110 -2.371) 23.003 14.465 ( 9.892 -2.037 0.577) 10.116 15.377 ( -9.524 -0.684 2.191) 9.797 15.522 ( 5.013 -10.690 -0.709) 11.828 15.989 ( -5.106 7.169 -1.388) 8.910 16.942 ( 6.807 8.386 4.642) 11.756 18.319 ( 2.054 4.276 -4.316) 6.413 ======================= Grid point 339 (270/441) ======================= q-point: (-0.13 -0.54 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -8.484 -0.000 3.139) 9.046 5.343 ( -24.841 -0.000 8.004) 26.098 6.237 ( 15.893 0.000 -22.023) 27.159 7.323 ( -22.816 -0.000 7.040) 23.878 8.156 ( -6.681 -0.000 13.407) 14.980 8.539 ( 1.676 -0.000 1.211) 2.067 9.498 ( 0.396 0.000 -9.579) 9.587 11.376 ( -18.371 0.000 2.423) 18.530 11.981 ( -2.957 0.000 -2.240) 3.710 13.598 ( 7.886 -0.000 -0.289) 7.891 14.534 ( -3.657 0.000 -0.284) 3.668 16.004 ( 0.676 -0.000 16.287) 16.301 17.238 ( -7.402 0.000 -4.927) 8.892 17.602 ( 8.322 -0.000 3.091) 8.877 17.760 ( 7.984 -0.000 5.217) 9.537 ======================= Grid point 340 (271/441) ======================= q-point: ( 0.33 0.17 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 4.060 -0.291 0.027) 4.070 4.534 ( 32.572 0.673 -0.322) 32.581 6.404 ( 43.839 0.880 -0.774) 43.855 8.647 ( -2.027 16.883 5.534) 17.882 8.902 ( 1.462 -0.218 -2.563) 2.959 9.308 ( 14.873 2.954 1.012) 15.197 9.715 ( 10.415 -20.702 -3.301) 23.408 11.212 ( -6.181 13.807 4.481) 15.778 11.893 ( 13.951 3.561 -3.866) 14.909 13.973 ( -8.056 -0.623 -0.598) 8.102 15.056 ( -4.680 1.679 -0.380) 4.986 15.438 ( -8.124 0.129 1.107) 8.200 16.195 ( 5.309 -4.616 0.187) 7.038 16.752 ( -1.772 -5.409 -1.040) 5.786 18.211 ( -8.323 -1.607 -2.259) 8.773 ======================= Grid point 341 (272/441) ======================= q-point: (-0.21 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -0.000 -24.361 -18.983) 30.884 1.541 ( 0.000 -7.437 -34.197) 34.997 2.143 ( 0.000 -15.060 -45.167) 47.611 6.200 ( -0.000 -21.221 41.376) 46.500 6.638 ( -0.000 -4.410 5.425) 6.991 8.982 ( 0.000 -2.506 -23.845) 23.977 9.573 ( 0.000 4.037 0.021) 4.037 10.120 ( -0.000 7.929 8.006) 11.268 11.969 ( 0.000 2.023 -2.994) 3.613 14.835 ( -0.000 -0.770 9.439) 9.470 15.737 ( 0.000 0.612 -12.509) 12.524 16.023 ( 0.000 45.305 -23.788) 51.171 16.722 ( 0.000 5.621 -8.568) 10.247 18.354 ( 0.000 12.997 6.063) 14.341 18.909 ( -0.000 -2.602 -1.889) 3.215 ======================= Grid point 343 (273/441) ======================= q-point: (-0.28 0.28 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 7.465 2.692 -0.000) 7.935 5.748 ( 17.208 0.535 -0.000) 17.216 5.858 ( 2.528 -30.373 -0.000) 30.478 7.896 ( -0.393 5.479 0.000) 5.493 8.029 ( 11.914 -2.088 -0.000) 12.096 9.162 ( 14.356 -15.135 -0.000) 20.861 9.935 ( -7.188 -37.324 -0.000) 38.010 11.310 ( 15.002 12.647 -0.000) 19.622 11.615 ( 5.538 8.108 -0.000) 9.818 13.483 ( -5.944 -1.652 0.000) 6.169 15.482 ( -4.186 6.208 0.000) 7.487 15.609 ( -12.331 3.058 0.000) 12.704 16.705 ( 8.333 11.744 -0.000) 14.400 17.822 ( -7.127 8.063 0.000) 10.761 18.221 ( -19.810 -0.458 0.000) 19.816 ======================= Grid point 345 (274/441) ======================= q-point: (-0.36 -0.31 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -15.820 -1.768 -10.061) 18.831 3.543 ( -6.354 -5.819 -9.026) 12.478 4.517 ( -40.562 -1.150 1.483) 40.605 6.972 ( -14.791 -37.849 12.394) 42.484 8.312 ( -29.661 -21.970 1.822) 36.956 8.653 ( 7.932 -1.632 -3.812) 8.950 9.751 ( -2.404 8.445 3.599) 9.489 10.240 ( -14.763 4.401 -4.302) 15.995 11.675 ( 16.454 -10.210 -10.983) 22.262 14.317 ( 8.331 -1.268 -1.162) 8.507 15.026 ( 13.387 1.326 7.200) 15.258 15.826 ( -2.650 10.951 3.924) 11.930 16.761 ( -1.922 10.090 -8.915) 13.601 17.583 ( 4.194 12.262 11.194) 17.124 18.658 ( 8.081 6.131 2.117) 10.362 ======================= Grid point 349 (275/441) ======================= q-point: (-0.52 -0.48 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( -2.980 0.873 0.000) 3.105 5.047 ( -28.186 -4.325 0.000) 28.516 6.969 ( -35.351 -7.810 0.000) 36.204 8.640 ( 4.808 -14.710 -0.000) 15.476 8.686 ( -0.567 -17.590 -0.000) 17.600 9.708 ( -16.876 10.014 0.000) 19.624 10.182 ( -4.707 26.407 0.000) 26.823 11.131 ( 10.665 -8.352 -0.000) 13.546 11.550 ( -19.399 -31.534 0.000) 37.023 13.769 ( 8.132 -0.548 -0.000) 8.150 14.948 ( -1.563 -4.202 -0.000) 4.483 15.322 ( 6.488 1.626 -0.000) 6.689 16.569 ( -8.082 13.104 0.000) 15.396 16.778 ( -2.078 7.727 0.000) 8.002 17.798 ( 18.579 -3.103 -0.000) 18.836 ======================= Grid point 353 (276/441) ======================= q-point: (-0.13 -0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -19.099 0.000 -15.703) 24.725 3.481 ( -36.476 0.000 -3.072) 36.605 5.481 ( -44.792 0.000 4.567) 45.025 5.863 ( -9.759 -0.000 7.665) 12.410 8.243 ( -16.358 -0.000 12.688) 20.702 8.696 ( 12.007 0.000 -3.186) 12.423 9.483 ( 7.667 0.000 -12.733) 14.863 10.417 ( -10.493 -0.000 4.466) 11.404 11.358 ( -10.541 0.000 -10.432) 14.831 13.971 ( 9.096 0.000 -5.395) 10.576 15.106 ( 11.459 -0.000 15.854) 19.562 16.524 ( 6.847 -0.000 -0.060) 6.847 16.755 ( -5.299 0.000 -0.194) 5.303 18.350 ( 7.695 -0.000 1.770) 7.896 18.591 ( 12.972 -0.000 18.710) 22.767 ======================= Grid point 354 (277/441) ======================= q-point: ( 0.33 0.34 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 0.659 -0.880 -0.038) 1.100 5.904 ( 7.186 1.001 -0.149) 7.257 8.276 ( 14.621 6.497 -2.394) 16.178 8.471 ( -3.508 6.816 4.056) 8.673 8.863 ( -4.960 9.443 -0.479) 10.677 9.836 ( 1.860 -13.063 0.394) 13.200 10.135 ( 4.754 -8.197 -1.588) 9.608 11.050 ( -1.265 5.434 0.098) 5.580 12.489 ( 4.036 10.691 -0.626) 11.445 13.564 ( -2.646 0.380 -0.303) 2.691 15.048 ( 0.597 3.881 0.726) 3.993 15.142 ( -0.670 -4.526 -0.294) 4.585 16.674 ( 0.049 -2.570 1.738) 3.103 16.829 ( 15.707 -6.729 0.664) 17.101 17.134 ( -19.325 1.202 -2.593) 19.536 ======================= Grid point 356 (278/441) ======================= q-point: ( 0.25 -0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -20.073 14.790 0.000) 24.933 2.887 ( -9.463 6.219 0.000) 11.324 3.638 ( -41.595 5.345 0.000) 41.937 8.056 ( -16.498 11.419 0.000) 20.064 8.436 ( 5.226 3.633 -0.000) 6.365 9.147 ( -17.119 -14.505 0.000) 22.438 9.433 ( 2.780 -10.310 -0.000) 10.678 10.698 ( 5.174 45.312 0.000) 45.607 11.286 ( -7.444 2.548 0.000) 7.868 14.576 ( 9.719 1.608 -0.000) 9.851 15.306 ( -6.586 2.061 0.000) 6.901 15.728 ( 0.343 -0.442 -0.000) 0.560 16.067 ( -0.345 -6.977 -0.000) 6.985 17.013 ( 1.316 -16.562 -0.000) 16.614 18.475 ( -4.582 -8.989 -0.000) 10.090 ======================= Grid point 357 (279/441) ======================= q-point: (-0.29 -0.55 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.500 ( -6.230 -0.090 1.213) 6.348 5.294 ( -24.740 -3.664 3.877) 25.309 6.774 ( 10.095 -9.168 -4.299) 14.299 7.511 ( -17.151 -11.630 -8.677) 22.466 7.958 ( -1.725 -6.934 9.772) 12.106 9.342 ( -11.504 -30.909 1.703) 33.024 9.908 ( 6.948 -13.736 -2.481) 15.592 11.171 ( -19.757 7.185 0.625) 21.032 11.703 ( -1.799 14.974 -0.539) 15.091 13.582 ( 9.477 -0.259 1.611) 9.616 14.711 ( -9.185 -3.459 -8.632) 13.071 15.541 ( 1.001 5.194 14.540) 15.473 17.241 ( -8.701 4.807 -6.277) 11.756 17.505 ( 16.879 4.261 2.504) 17.588 17.532 ( -2.134 5.358 5.554) 8.006 ======================= Grid point 358 (280/441) ======================= q-point: ( 0.17 0.16 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 6.985 0.788 0.789) 7.074 4.487 ( 37.071 2.271 -1.591) 37.175 6.344 ( 42.355 3.013 -0.167) 42.462 7.798 ( -12.563 22.994 -1.961) 26.275 8.278 ( 3.457 11.121 6.196) 13.191 9.809 ( 15.468 13.884 4.437) 21.253 10.025 ( 7.698 2.793 -3.640) 8.961 10.637 ( 14.877 -18.167 0.205) 23.482 11.396 ( 1.214 25.354 -3.016) 25.562 13.941 ( -9.414 3.464 2.030) 10.234 15.063 ( -4.628 -1.809 -9.881) 11.060 15.604 ( -3.876 -11.153 2.502) 12.070 16.417 ( 0.956 -5.416 5.124) 7.517 17.347 ( -1.410 -17.810 -3.110) 18.134 18.537 ( -10.651 -6.404 -9.567) 15.684 ======================= Grid point 359 (281/441) ======================= q-point: (-0.37 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 -4.822 -19.884) 20.460 2.374 ( 0.000 -6.495 -20.472) 21.477 3.425 ( 0.000 -9.417 -20.520) 22.577 6.895 ( -0.000 -13.228 5.500) 14.326 7.091 ( -0.000 -50.474 27.751) 57.600 9.220 ( 0.000 2.768 -6.504) 7.069 9.258 ( 0.000 11.262 -0.371) 11.268 9.928 ( 0.000 0.216 -0.575) 0.614 12.186 ( 0.000 -6.537 -8.964) 11.094 14.752 ( -0.000 -2.216 6.210) 6.594 15.227 ( 0.000 16.833 -17.122) 24.011 15.880 ( 0.000 2.264 -8.994) 9.274 16.267 ( 0.000 17.949 3.242) 18.239 17.831 ( 0.000 7.729 5.164) 9.295 18.810 ( 0.000 10.254 -7.882) 12.933 ======================= Grid point 363 (282/441) ======================= q-point: (-0.52 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -9.403 1.138 -7.287) 11.950 3.610 ( -10.664 2.504 4.571) 11.869 4.599 ( -42.033 -1.680 -1.039) 42.080 8.112 ( -17.437 -25.846 2.168) 31.253 8.520 ( -4.159 -0.228 -5.918) 7.236 9.052 ( -4.830 7.122 5.685) 10.313 9.745 ( -10.657 19.011 -2.484) 21.935 10.289 ( -17.010 -40.444 1.331) 43.896 12.077 ( 17.269 2.216 -2.890) 17.649 14.275 ( 8.825 1.107 1.238) 8.980 15.174 ( 7.166 -10.799 0.891) 12.991 15.527 ( -4.749 1.534 1.545) 5.225 16.298 ( -3.947 14.171 -2.102) 14.860 16.991 ( 8.318 10.524 4.522) 14.156 18.370 ( 4.062 5.534 -1.641) 7.059 ======================= Grid point 366 (283/441) ======================= q-point: (-0.14 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -18.643 0.000 -20.910) 28.014 1.568 ( -12.093 0.000 -33.453) 35.572 2.435 ( -39.326 0.000 -37.007) 54.001 5.997 ( -1.770 -0.000 38.728) 38.768 6.975 ( -32.065 -0.000 16.632) 36.122 8.918 ( 3.238 0.000 -23.429) 23.651 9.644 ( -2.092 0.000 0.177) 2.099 10.199 ( 0.839 -0.000 8.621) 8.662 11.641 ( 28.914 0.000 -10.106) 30.629 14.573 ( 19.393 0.000 -4.815) 19.982 15.586 ( 6.462 0.000 -12.628) 14.186 16.633 ( -0.662 -0.000 3.605) 3.665 16.732 ( 2.728 0.000 -7.127) 7.631 18.642 ( 1.927 0.000 -1.328) 2.341 19.064 ( -19.537 -0.000 18.835) 27.137 ======================= Grid point 368 (284/441) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 23.594 -4.517 -0.000) 24.022 5.233 ( 34.778 -0.053 -0.000) 34.778 5.488 ( -14.044 -15.405 0.000) 20.846 7.516 ( 37.781 -1.577 -0.000) 37.813 8.203 ( -5.473 17.909 0.000) 18.726 8.784 ( 0.324 -6.687 -0.000) 6.695 9.305 ( -4.270 -33.991 -0.000) 34.258 11.157 ( 18.960 5.983 -0.000) 19.881 11.579 ( 11.467 4.570 -0.000) 12.344 13.584 ( -6.505 -0.919 0.000) 6.570 15.658 ( -3.042 3.324 0.000) 4.506 15.908 ( -12.113 2.071 0.000) 12.289 16.799 ( 5.640 9.283 -0.000) 10.862 18.099 ( -7.286 4.944 0.000) 8.806 18.583 ( -20.276 -1.983 0.000) 20.373 ======================= Grid point 370 (285/441) ======================= q-point: (-0.29 -0.37 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -10.185 -3.329 -6.771) 12.676 3.700 ( -22.816 -4.989 -5.932) 24.097 5.302 ( -41.206 -0.927 5.896) 41.636 6.550 ( -18.073 -32.923 6.636) 38.139 8.416 ( -22.403 -19.784 5.456) 30.382 8.518 ( 10.862 6.025 -7.151) 14.333 10.031 ( -7.550 4.228 0.763) 8.687 10.325 ( -2.627 -11.525 -0.422) 11.828 11.411 ( 1.511 5.857 -11.757) 13.222 14.113 ( 8.657 -1.888 -3.891) 9.678 14.790 ( 11.797 0.477 12.862) 17.459 16.072 ( 3.192 12.407 5.901) 14.104 16.858 ( 1.008 1.470 -6.380) 6.624 17.798 ( 3.294 13.856 10.975) 17.980 18.514 ( 12.301 -0.284 5.932) 13.659 ======================= Grid point 371 (286/441) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 1.194 -3.719 -0.464) 3.934 5.842 ( 5.905 2.701 -1.467) 6.657 7.421 ( -0.752 28.271 1.553) 28.323 8.102 ( 13.626 11.096 0.752) 17.588 8.344 ( -5.644 7.481 0.273) 9.375 10.383 ( 3.404 20.411 1.857) 20.776 10.565 ( 1.647 -9.139 -1.582) 9.420 10.890 ( 0.960 -18.508 0.329) 18.535 11.583 ( 2.751 23.669 -1.927) 23.906 13.541 ( -2.580 0.952 0.125) 2.753 14.823 ( -0.118 5.338 -1.056) 5.442 15.470 ( -0.437 -10.492 -0.799) 10.531 16.831 ( 7.243 -6.945 6.005) 11.694 17.186 ( -2.627 -8.893 -2.372) 9.572 17.442 ( -9.296 -8.545 -5.376) 13.723 ======================= Grid point 374 (287/441) ======================= q-point: (-0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -3.279 1.726 0.000) 3.706 5.455 ( -22.814 -4.866 0.000) 23.327 7.300 ( -16.664 -14.994 0.000) 22.417 8.232 ( 3.100 -13.211 -0.000) 13.569 8.314 ( 0.329 -17.139 -0.000) 17.142 10.198 ( -14.645 2.719 0.000) 14.896 10.581 ( 5.146 -11.662 -0.000) 12.747 10.867 ( 1.759 19.697 0.000) 19.775 11.313 ( -18.407 -24.974 0.000) 31.025 13.596 ( 7.426 -1.155 -0.000) 7.515 14.960 ( -7.164 -2.950 0.000) 7.748 15.246 ( 4.332 2.114 -0.000) 4.820 17.024 ( -9.280 12.834 0.000) 15.838 17.034 ( -5.175 9.754 0.000) 11.042 17.372 ( 20.161 0.720 -0.000) 20.174 ======================= Grid point 377 (288/441) ======================= q-point: (-0.53 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.000 2.971 -16.403) 16.670 2.738 ( 0.000 1.246 -7.109) 7.217 3.665 ( -0.000 2.547 3.743) 4.527 7.492 ( -0.000 -19.057 2.969) 19.287 8.316 ( -0.000 -10.821 -5.093) 11.959 8.699 ( 0.000 16.255 -0.979) 16.284 9.641 ( -0.000 -0.815 14.663) 14.686 9.873 ( -0.000 -29.210 1.529) 29.250 12.525 ( 0.000 6.178 -11.220) 12.808 14.782 ( -0.000 -3.163 2.630) 4.114 15.059 ( 0.000 1.752 -0.526) 1.829 15.583 ( -0.000 4.137 5.991) 7.281 15.872 ( 0.000 3.924 -3.778) 5.447 17.391 ( 0.000 10.708 3.472) 11.257 18.472 ( 0.000 12.340 -9.761) 15.734 ======================= Grid point 379 (289/441) ======================= q-point: (-0.60 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 1.565 1.077 0.195) 1.910 5.660 ( 19.368 0.790 0.369) 19.388 7.880 ( 28.817 -0.313 -2.329) 28.912 8.455 ( -2.477 -15.596 3.642) 16.206 8.885 ( -2.379 -12.845 -4.112) 13.695 9.757 ( 6.670 11.501 0.257) 13.298 10.113 ( 5.276 15.758 2.726) 16.840 11.019 ( -0.201 -10.283 -2.089) 10.495 12.415 ( 7.581 -6.431 1.587) 10.068 13.662 ( -6.801 -0.260 -0.332) 6.814 15.039 ( 1.135 -2.366 0.893) 2.772 15.160 ( -2.724 3.080 -1.026) 4.238 16.466 ( 10.037 -2.166 -1.863) 10.435 16.735 ( -0.471 8.195 1.742) 8.391 17.632 ( -21.057 5.746 1.946) 21.914 ======================= Grid point 381 (290/441) ======================= q-point: ( 0.32 -0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( -5.342 1.774 0.000) 5.629 3.318 ( -24.761 7.751 0.000) 25.946 4.606 ( -46.114 2.017 0.000) 46.158 8.511 ( -0.741 8.830 0.000) 8.861 8.592 ( -16.601 7.322 0.000) 18.144 9.132 ( -16.302 -19.920 0.000) 25.740 9.244 ( 1.944 -1.322 -0.000) 2.350 11.376 ( 9.403 33.057 0.000) 34.368 11.431 ( -14.164 -10.480 0.000) 17.619 14.348 ( 9.472 -3.851 -0.000) 10.225 15.456 ( -2.028 3.456 0.000) 4.007 15.520 ( 11.975 -3.946 -0.000) 12.608 16.043 ( -4.613 -2.350 0.000) 5.177 16.747 ( 2.258 -5.822 -0.000) 6.244 18.399 ( -3.241 -6.400 -0.000) 7.174 ======================= Grid point 382 (291/441) ======================= q-point: (-0.22 0.39 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( -7.935 0.369 1.465) 8.077 5.669 ( -15.980 -0.123 0.799) 16.000 6.130 ( 26.286 -11.294 -3.316) 28.801 7.704 ( -16.564 -6.130 0.904) 17.685 8.034 ( -4.291 9.036 1.770) 10.159 8.903 ( -6.949 -29.282 1.123) 30.116 9.578 ( 8.544 -5.400 -1.760) 10.260 11.613 ( -11.974 4.434 0.137) 12.769 11.921 ( 3.703 7.605 -0.318) 8.464 13.427 ( 4.854 -0.511 2.438) 5.456 14.866 ( -10.563 -0.881 -14.755) 18.168 15.668 ( -4.157 3.498 17.910) 18.716 17.320 ( 10.300 4.977 0.287) 11.443 17.513 ( -9.062 3.468 -4.616) 10.745 17.647 ( -5.396 -0.721 2.447) 5.969 ======================= Grid point 384 (292/441) ======================= q-point: (-0.30 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -6.721 -9.552 -21.019) 24.046 2.457 ( -17.680 -11.396 -24.372) 32.194 3.295 ( -13.188 -9.227 -25.106) 29.822 6.120 ( -3.291 -39.747 33.222) 51.907 6.929 ( -23.781 -11.296 10.872) 28.484 9.157 ( 11.613 7.193 -9.003) 16.360 9.622 ( -11.908 4.414 -4.401) 13.441 9.918 ( 0.481 1.778 1.788) 2.567 11.887 ( 14.647 -7.475 -5.816) 17.442 14.609 ( 8.912 -1.155 1.141) 9.059 15.592 ( 6.908 13.042 -11.951) 18.990 16.017 ( -6.058 11.788 -1.105) 13.300 16.678 ( -2.375 14.817 -9.839) 17.944 18.031 ( -4.067 10.789 9.868) 15.176 18.958 ( 0.545 4.508 -3.130) 5.515 ======================= Grid point 385 (293/441) ======================= q-point: ( 0.16 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( -5.174 -1.542 0.530) 5.425 5.171 ( -30.989 0.754 2.983) 31.142 7.086 ( -30.975 8.496 -4.634) 32.452 7.593 ( 5.890 23.228 5.613) 24.612 8.332 ( -2.077 9.703 -7.233) 12.279 10.031 ( -8.123 28.567 -7.696) 30.681 10.258 ( -14.426 -16.455 5.117) 22.474 10.838 ( -5.324 -18.387 0.544) 19.150 11.466 ( -5.584 28.797 5.516) 29.847 13.763 ( 8.515 2.626 -1.849) 9.100 14.988 ( 3.105 -0.582 9.144) 9.674 15.536 ( 2.915 -11.980 -2.047) 12.498 16.445 ( -2.414 -5.005 -6.120) 8.266 17.320 ( 1.559 -16.405 3.408) 16.827 18.262 ( 16.809 -5.282 9.272) 19.910 ======================= Grid point 388 (294/441) ======================= q-point: (-0.45 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -5.705 0.496 -1.635) 5.956 3.919 ( -20.311 -2.043 -1.129) 20.445 5.349 ( -40.603 -4.392 2.358) 40.908 7.829 ( -14.109 -30.697 1.609) 33.822 8.527 ( 2.244 -1.570 -4.493) 5.262 9.457 ( -17.473 9.907 1.122) 20.117 9.817 ( -17.716 -38.346 0.068) 42.241 10.348 ( -11.550 15.774 -0.594) 19.560 11.620 ( 20.029 -7.701 -2.603) 21.615 14.137 ( 8.681 1.683 1.280) 8.935 14.833 ( 5.625 -9.421 1.787) 11.118 15.622 ( 1.855 4.715 2.323) 5.574 16.673 ( -1.421 15.078 -5.747) 16.198 17.064 ( 4.537 10.591 8.283) 14.191 18.340 ( 9.382 3.735 1.386) 10.193 ======================= Grid point 393 (295/441) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 29.187 -0.000 -0.000) 29.187 4.427 ( 45.650 -0.000 -0.000) 45.650 5.705 ( -20.824 0.000 0.000) 20.824 6.573 ( 53.100 -0.000 -0.000) 53.100 8.684 ( 4.145 -0.000 -0.000) 4.145 8.765 ( -1.997 0.000 0.000) 1.997 8.854 ( -13.286 0.000 0.000) 13.286 10.845 ( 17.923 -0.000 -0.000) 17.923 11.354 ( 15.786 -0.000 -0.000) 15.786 13.690 ( -5.162 0.000 0.000) 5.162 15.726 ( -0.510 0.000 0.000) 0.510 16.151 ( -10.041 0.000 0.000) 10.041 16.808 ( 3.836 -0.000 -0.000) 3.836 18.293 ( -6.645 0.000 0.000) 6.645 18.955 ( -19.225 0.000 0.000) 19.225 ======================= Grid point 394 (296/441) ======================= q-point: ( 0.31 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 11.512 -13.368) 17.641 2.556 ( 0.000 9.741 1.410) 9.842 3.257 ( -0.000 5.442 15.684) 16.602 8.007 ( 0.000 17.318 -1.494) 17.382 8.266 ( -0.000 -18.896 1.147) 18.931 8.641 ( 0.000 0.801 -12.489) 12.514 9.381 ( -0.000 -6.277 12.518) 14.004 10.930 ( -0.000 -6.997 -5.249) 8.747 11.794 ( 0.000 28.633 7.146) 29.512 14.908 ( -0.000 -3.762 -0.756) 3.837 14.999 ( -0.000 0.305 2.216) 2.237 15.708 ( 0.000 5.075 0.982) 5.169 15.829 ( -0.000 -10.380 -5.281) 11.647 16.990 ( -0.000 -0.736 7.965) 7.999 18.323 ( 0.000 0.841 -5.459) 5.523 ======================= Grid point 395 (297/441) ======================= q-point: (-0.22 -0.44 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -8.064 -2.281 -4.483) 9.504 4.181 ( -31.476 -2.451 2.718) 31.688 6.087 ( -38.082 0.462 8.036) 38.923 6.381 ( -15.637 -16.450 -7.610) 23.938 8.315 ( 12.341 1.997 4.266) 13.209 8.492 ( -11.546 -11.084 4.771) 16.701 9.775 ( 6.748 -13.500 -11.467) 18.955 10.552 ( -17.004 4.831 4.519) 18.245 11.654 ( -7.967 6.298 -6.784) 12.213 13.919 ( 7.749 -1.023 -5.411) 9.506 14.598 ( 7.262 -0.520 13.852) 15.648 16.155 ( 8.968 7.294 11.431) 16.257 16.910 ( -6.075 0.267 -3.406) 6.969 17.938 ( 7.222 8.742 8.731) 14.311 18.203 ( 13.832 -3.293 5.453) 15.228 ======================= Grid point 396 (298/441) ======================= q-point: ( 0.24 0.26 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 2.091 -2.185 -0.486) 3.063 5.633 ( 19.311 1.283 -2.179) 19.476 7.808 ( 25.799 7.097 -5.800) 27.379 8.053 ( -1.167 22.854 8.611) 24.450 8.665 ( -3.255 14.022 3.394) 14.790 10.069 ( 10.038 -17.989 -2.279) 20.726 10.440 ( 3.838 -21.197 -3.661) 21.850 10.785 ( 0.630 18.287 5.537) 19.117 12.028 ( 7.275 24.118 -4.566) 25.602 13.655 ( -6.840 0.746 -0.027) 6.881 14.932 ( 0.220 5.174 -1.117) 5.298 15.300 ( -2.075 -7.859 -0.014) 8.128 16.556 ( 8.238 -4.411 5.383) 10.784 16.930 ( 0.419 -13.704 -2.674) 13.969 17.650 ( -19.697 -3.868 -6.780) 21.187 ======================= Grid point 399 (299/441) ======================= q-point: (-0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( -4.255 2.708 0.000) 5.044 5.747 ( -14.870 -3.046 0.000) 15.179 6.895 ( 12.169 -24.207 -0.000) 27.094 8.022 ( 1.761 -8.770 -0.000) 8.945 8.097 ( -9.005 -9.585 0.000) 13.152 10.061 ( 10.322 -17.463 -0.000) 20.286 10.215 ( -13.033 -27.111 -0.000) 30.081 11.314 ( 2.852 21.249 0.000) 21.440 11.384 ( -11.638 1.319 0.000) 11.712 13.451 ( 3.626 -1.750 -0.000) 4.027 15.106 ( -11.003 -0.531 0.000) 11.016 15.264 ( 0.308 4.421 0.000) 4.432 17.021 ( 17.756 6.165 -0.000) 18.795 17.353 ( -7.508 8.721 0.000) 11.508 17.488 ( -13.102 6.953 0.000) 14.833 ======================= Grid point 401 (300/441) ======================= q-point: (-0.46 -0.21 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -3.289 0.448 -17.437) 17.750 3.034 ( -25.775 -1.218 -11.676) 28.322 3.682 ( 1.381 1.017 -0.386) 1.758 7.186 ( -6.850 -20.728 5.906) 22.616 7.912 ( -13.060 -36.518 4.309) 39.022 8.955 ( 3.805 3.288 3.078) 5.896 9.434 ( -9.657 -2.478 -2.037) 10.176 9.794 ( 2.136 6.076 4.092) 7.630 12.429 ( 8.136 -7.309 -9.712) 14.626 14.639 ( 6.674 -1.591 2.198) 7.205 15.231 ( -4.439 7.007 -4.167) 9.283 15.632 ( 8.561 8.228 6.327) 13.454 16.150 ( -12.744 10.982 -3.885) 17.266 17.564 ( 3.307 9.308 4.054) 10.678 18.695 ( 3.966 12.528 -8.168) 15.473 ======================= Grid point 403 (301/441) ======================= q-point: (-0.54 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 3.472 1.589 0.273) 3.828 5.179 ( 30.162 -0.017 1.646) 30.207 7.190 ( 36.941 -2.785 -1.012) 37.059 8.091 ( -5.712 -23.772 1.236) 24.479 8.595 ( 0.011 -15.753 -6.239) 16.943 9.880 ( 13.998 18.244 2.820) 23.168 10.403 ( 7.154 19.338 3.257) 20.875 10.636 ( 2.039 -23.578 -6.400) 24.516 11.976 ( 8.094 -19.539 5.438) 21.837 13.806 ( -8.955 -1.342 -0.755) 9.086 14.995 ( -1.544 -1.312 4.278) 4.734 15.334 ( -3.942 7.334 -2.780) 8.778 16.355 ( 3.722 3.748 -3.466) 6.318 16.991 ( -0.535 15.007 2.691) 15.256 18.137 ( -16.580 6.581 6.296) 18.917 ======================= Grid point 405 (302/441) ======================= q-point: ( 0.39 -0.39 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -4.515 0.736 0.000) 4.575 3.931 ( -27.838 1.499 0.000) 27.878 5.488 ( -43.460 -2.303 0.000) 43.521 8.812 ( -1.403 13.736 0.000) 13.808 8.825 ( -9.502 -10.231 0.000) 13.962 8.985 ( -19.102 -24.045 0.000) 30.709 9.475 ( -3.054 22.438 0.000) 22.645 11.381 ( -19.174 -26.680 0.000) 32.855 11.619 ( 13.961 12.886 -0.000) 18.999 14.105 ( 8.334 -2.001 -0.000) 8.570 15.204 ( 9.180 -5.599 -0.000) 10.752 15.510 ( 2.985 2.652 -0.000) 3.993 16.148 ( -3.532 6.051 0.000) 7.007 16.677 ( 2.445 3.016 -0.000) 3.883 18.308 ( 3.013 -3.690 -0.000) 4.764 ======================= Grid point 406 (303/441) ======================= q-point: (-0.15 0.32 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -3.570 0.000 -0.345) 3.587 5.469 ( 21.806 -0.000 3.326) 22.058 5.883 ( -2.133 0.000 -1.237) 2.466 7.881 ( -7.147 0.000 -2.301) 7.508 8.430 ( -0.027 -0.000 0.725) 0.726 8.507 ( -10.142 0.000 -1.550) 10.260 9.280 ( 16.780 -0.000 2.108) 16.912 11.776 ( 3.179 0.000 -2.577) 4.092 11.884 ( 4.691 -0.000 2.435) 5.285 13.388 ( -1.478 -0.000 2.312) 2.744 15.072 ( -10.746 0.000 -18.714) 21.580 15.816 ( -6.675 -0.000 17.545) 18.772 17.209 ( 8.732 -0.000 0.920) 8.781 17.753 ( -13.823 0.000 -5.220) 14.775 17.788 ( -9.338 0.000 -0.981) 9.389 ======================= Grid point 408 (304/441) ======================= q-point: (-0.23 -0.27 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -19.892 -12.359 -20.656) 31.227 2.496 ( -15.946 -10.252 -26.112) 32.268 3.737 ( -37.955 -0.754 -15.039) 40.833 5.635 ( -10.519 -21.315 32.931) 40.613 7.321 ( -30.099 -4.902 16.090) 34.480 9.070 ( 12.174 7.694 -13.283) 19.592 9.748 ( -3.365 -6.970 -3.814) 8.628 10.071 ( -6.321 5.336 4.632) 9.481 11.433 ( 15.593 -3.648 -11.893) 19.947 14.389 ( 10.931 -0.794 -4.408) 11.813 15.535 ( 11.055 3.188 -1.267) 11.575 16.411 ( -2.560 13.922 3.615) 14.610 16.815 ( 3.584 0.580 -9.598) 10.262 18.388 ( 0.263 15.194 7.438) 16.919 18.956 ( 2.168 -2.472 10.034) 10.559 ======================= Grid point 409 (305/441) ======================= q-point: ( 0.23 -0.56 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -2.005 -2.543 0.495) 3.276 5.668 ( -18.796 -0.013 1.619) 18.865 7.807 ( -23.094 9.244 -6.018) 25.593 8.030 ( -2.079 21.563 6.402) 22.589 8.584 ( 1.391 14.015 -5.288) 15.043 10.110 ( -8.979 -20.161 1.948) 22.156 10.496 ( -2.349 -19.327 2.486) 19.628 10.687 ( -3.220 20.767 -4.723) 21.539 12.110 ( -5.067 22.359 4.142) 23.298 13.647 ( 6.849 1.255 -0.810) 7.010 14.977 ( 0.586 2.816 3.611) 4.616 15.283 ( 1.368 -8.370 -1.800) 8.669 16.463 ( -7.550 -1.751 -4.628) 9.027 16.977 ( 0.808 -14.368 2.353) 14.581 17.767 ( 20.278 -7.033 5.648) 22.194 ======================= Grid point 411 (306/441) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 23.355 0.000) 23.355 1.950 ( 0.000 18.101 0.000) 18.101 2.856 ( 0.000 10.296 0.000) 10.296 7.345 ( 0.000 14.772 0.000) 14.772 8.578 ( 0.000 6.086 0.000) 6.086 8.970 ( -0.000 -15.031 -0.000) 15.031 9.626 ( 0.000 24.852 0.000) 24.852 9.962 ( 0.000 11.392 0.000) 11.392 11.056 ( 0.000 8.176 0.000) 8.176 14.686 ( 0.000 12.717 0.000) 12.717 15.092 ( -0.000 -3.929 -0.000) 3.929 15.466 ( 0.000 5.128 0.000) 5.128 16.277 ( -0.000 -7.051 -0.000) 7.051 17.452 ( -0.000 -22.551 -0.000) 22.551 18.536 ( -0.000 -6.953 -0.000) 6.953 ======================= Grid point 412 (307/441) ======================= q-point: (-0.38 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -3.998 -0.295 -0.190) 4.013 4.315 ( -26.494 -4.685 0.668) 26.914 6.027 ( -37.407 -4.453 5.242) 38.034 7.494 ( -13.648 -27.230 -5.244) 30.907 8.352 ( 9.481 -4.561 -1.239) 10.594 9.427 ( -17.977 -34.279 -0.290) 38.708 10.067 ( -19.850 11.145 -0.444) 22.769 10.581 ( 1.024 -12.057 3.386) 12.566 11.298 ( 5.492 12.244 -4.320) 14.097 13.984 ( 9.763 0.930 0.408) 9.816 14.602 ( -0.220 -7.404 1.470) 7.552 15.642 ( 7.336 6.366 6.367) 11.614 16.907 ( -1.675 6.514 -7.414) 10.010 17.288 ( 0.196 14.051 9.451) 16.935 18.148 ( 15.105 1.484 2.907) 15.454 ======================= Grid point 418 (308/441) ======================= q-point: ( 0.38 -0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -3.961 5.919 -15.388) 16.957 3.027 ( -25.063 7.279 -0.994) 26.118 3.395 ( -3.291 4.916 13.028) 14.309 7.949 ( -9.159 -19.572 1.042) 21.634 8.361 ( -0.187 10.976 -3.722) 11.592 8.715 ( -7.377 3.014 -8.449) 11.614 9.318 ( 0.398 1.465 12.784) 12.873 10.564 ( -5.981 -30.714 1.730) 31.338 12.302 ( 6.114 22.517 -3.057) 23.532 14.667 ( 10.463 -2.448 0.844) 10.779 15.164 ( -11.428 -1.005 2.310) 11.702 15.591 ( 2.301 -10.177 -0.882) 10.471 15.878 ( -5.409 5.983 -0.989) 8.126 17.054 ( 4.129 9.439 4.699) 11.324 18.378 ( 3.242 7.145 -5.864) 9.795 ======================= Grid point 419 (309/441) ======================= q-point: (-0.16 -0.51 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -8.291 0.000 0.133) 8.292 4.783 ( -31.130 -0.000 8.176) 32.186 6.404 ( -1.011 0.000 -24.710) 24.731 6.790 ( -31.184 -0.000 10.063) 32.767 8.127 ( 5.364 -0.000 16.465) 17.316 8.514 ( -4.525 -0.000 3.240) 5.566 9.532 ( 3.493 0.000 -13.862) 14.296 10.983 ( -20.634 -0.000 3.824) 20.985 11.878 ( -7.120 0.000 -3.768) 8.055 13.759 ( 7.970 0.000 -4.141) 8.981 14.505 ( 1.161 -0.000 8.576) 8.655 16.067 ( 5.977 -0.000 15.827) 16.918 17.075 ( -8.644 0.000 -3.660) 9.387 17.814 ( 12.414 -0.000 6.988) 14.246 17.940 ( 9.744 -0.000 4.233) 10.624 ======================= Grid point 420 (310/441) ======================= q-point: ( 0.30 0.20 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( 2.441 -0.558 -0.107) 2.506 5.160 ( 29.521 0.452 -0.760) 29.534 7.219 ( 38.428 1.264 -1.084) 38.464 8.543 ( -6.146 13.778 3.618) 15.514 8.954 ( 1.630 7.175 1.226) 7.459 9.576 ( 11.807 -3.534 0.776) 12.349 9.900 ( 8.587 -18.085 -4.447) 20.508 11.107 ( -4.000 8.960 3.195) 10.319 12.166 ( 12.973 8.015 -2.909) 15.524 13.814 ( -8.047 -0.058 -0.304) 8.053 15.011 ( -0.200 2.147 -0.428) 2.198 15.280 ( -7.136 -1.989 0.937) 7.467 16.321 ( 7.681 -2.902 1.041) 8.276 16.725 ( -1.190 -5.733 -1.287) 5.995 17.964 ( -16.361 -1.360 -2.410) 16.594 ======================= Grid point 423 (311/441) ======================= q-point: (-0.31 0.31 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -2.459 3.463 0.000) 4.247 5.894 ( -2.163 -0.240 0.000) 2.177 6.052 ( 16.533 -26.820 -0.000) 31.506 7.917 ( 1.800 2.899 -0.000) 3.412 8.074 ( -5.177 -6.697 0.000) 8.465 9.494 ( 16.665 -12.315 -0.000) 20.721 9.765 ( -9.881 -36.131 -0.000) 37.458 11.556 ( 9.749 14.090 -0.000) 17.134 11.645 ( -2.841 7.329 0.000) 7.861 13.399 ( -2.008 -1.596 0.000) 2.566 15.355 ( -13.278 0.975 0.000) 13.314 15.404 ( -3.499 5.506 0.000) 6.523 16.903 ( 11.777 10.458 -0.000) 15.750 17.669 ( -8.391 6.587 0.000) 10.668 17.856 ( -16.584 0.509 0.000) 16.591 ======================= Grid point 425 (312/441) ======================= q-point: (-0.39 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -10.805 -1.789 -16.741) 20.005 3.418 ( -12.613 -8.151 -15.618) 21.667 3.834 ( -22.933 2.140 0.789) 23.046 6.709 ( -10.767 -41.371 15.233) 45.382 7.685 ( -31.551 -27.232 6.477) 42.178 8.858 ( 11.145 6.229 -3.149) 13.150 9.707 ( -4.014 7.260 2.642) 8.707 9.976 ( -10.131 4.933 -5.136) 12.384 11.981 ( 13.943 -12.462 -9.346) 20.906 14.475 ( 7.542 -1.093 0.083) 7.621 15.303 ( 13.572 6.453 0.435) 15.034 15.759 ( -2.880 11.506 4.903) 12.834 16.666 ( -8.007 14.715 -8.515) 18.792 17.664 ( 3.653 8.796 9.504) 13.455 18.804 ( 6.817 8.042 -2.574) 10.852 ======================= Grid point 429 (313/441) ======================= q-point: (-0.55 -0.45 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( -3.728 0.670 0.000) 3.788 4.475 ( -28.929 -2.992 0.000) 29.083 6.223 ( -39.792 -5.951 0.000) 40.234 8.626 ( -6.161 -23.310 -0.000) 24.111 8.688 ( -0.046 -11.512 -0.000) 11.512 9.385 ( -15.087 13.676 0.000) 20.363 10.078 ( -5.892 25.320 0.000) 25.997 11.133 ( -22.608 -36.373 0.000) 42.827 11.390 ( 15.616 -4.656 -0.000) 16.295 13.931 ( 8.260 0.264 -0.000) 8.264 14.954 ( 2.228 -7.377 -0.000) 7.706 15.456 ( 6.502 1.803 -0.000) 6.747 16.447 ( -4.530 14.705 0.000) 15.387 16.758 ( 0.377 7.296 0.000) 7.305 18.102 ( 12.135 -1.976 -0.000) 12.295 ======================= Grid point 433 (314/441) ======================= q-point: (-0.16 -0.34 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -22.334 0.000 -21.447) 30.964 2.835 ( -28.154 0.000 -14.340) 31.596 4.583 ( -45.519 0.000 -4.291) 45.720 5.641 ( -12.057 -0.000 23.851) 26.725 7.829 ( -25.416 -0.000 16.873) 30.506 8.942 ( 12.395 0.000 -11.351) 16.807 9.608 ( 4.589 0.000 -6.590) 8.030 10.258 ( -6.738 -0.000 4.511) 8.109 11.241 ( 0.402 0.000 -14.252) 14.258 14.165 ( 10.558 0.000 -6.051) 12.169 15.339 ( 11.878 -0.000 9.167) 15.004 16.655 ( 6.495 0.000 -4.375) 7.831 16.663 ( -3.966 -0.000 1.608) 4.279 18.490 ( 6.380 -0.000 0.431) 6.395 18.805 ( 8.187 -0.000 20.344) 21.930 ======================= Grid point 434 (315/441) ======================= q-point: ( 0.30 -0.63 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( -0.449 -1.105 0.070) 1.195 5.914 ( -6.216 0.016 0.342) 6.225 8.318 ( -14.797 1.782 -2.114) 15.053 8.418 ( 2.183 12.499 3.204) 13.086 8.831 ( 2.144 11.995 -2.037) 12.354 9.838 ( -1.767 -13.267 0.403) 13.390 10.174 ( -0.721 -11.330 0.433) 11.361 11.028 ( -0.940 7.571 -0.958) 7.689 12.510 ( -1.903 8.712 0.400) 8.926 13.565 ( 2.702 0.357 -0.289) 2.740 15.051 ( -0.155 3.970 0.956) 4.086 15.138 ( 0.108 -4.754 -0.544) 4.786 16.652 ( -4.490 1.023 0.499) 4.632 16.789 ( -10.361 -4.530 -1.291) 11.382 17.215 ( 20.344 -6.312 1.516) 21.354 ======================= Grid point 436 (316/441) ======================= q-point: ( 0.22 -0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -9.309 19.267 0.000) 21.398 2.561 ( -22.838 11.820 0.000) 25.716 3.089 ( -12.161 4.254 0.000) 12.884 7.779 ( -10.640 14.808 0.000) 18.234 8.540 ( 5.377 -2.367 -0.000) 5.876 8.859 ( -11.903 -9.333 0.000) 15.125 9.473 ( 1.281 -13.216 -0.000) 13.278 10.785 ( 3.329 47.390 0.000) 47.507 11.177 ( -3.629 0.078 0.000) 3.629 14.762 ( 9.162 2.541 -0.000) 9.508 15.149 ( -8.822 0.919 0.000) 8.870 15.647 ( -5.905 4.142 0.000) 7.213 16.093 ( 1.631 -9.183 -0.000) 9.327 17.040 ( 1.195 -15.290 -0.000) 15.337 18.420 ( -1.150 -5.921 -0.000) 6.032 ======================= Grid point 437 (317/441) ======================= q-point: (-0.32 -0.52 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -4.899 -0.863 0.514) 5.001 4.761 ( -28.312 -4.586 4.204) 28.988 6.610 ( -25.915 -1.754 5.182) 26.486 7.280 ( -10.018 -17.298 -18.421) 27.183 8.001 ( 8.913 -8.725 10.656) 16.405 9.104 ( -13.077 -27.969 1.620) 30.918 10.057 ( 8.334 -14.870 -3.830) 17.471 10.745 ( -22.414 7.632 2.272) 23.787 11.638 ( -4.193 14.390 -1.852) 15.102 13.791 ( 11.074 0.416 0.366) 11.087 14.548 ( -6.743 -4.754 -2.505) 8.622 15.617 ( 6.646 5.443 12.398) 15.083 17.087 ( -6.924 3.449 -5.589) 9.543 17.527 ( 1.411 9.484 6.670) 11.680 17.845 ( 17.075 1.281 2.514) 17.307 ======================= Grid point 443 (318/441) ======================= q-point: (-0.55 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -7.849 2.514 -14.001) 16.246 3.490 ( -3.425 5.117 10.857) 12.482 3.808 ( -36.717 0.406 -4.002) 36.936 7.780 ( -15.334 -22.931 2.492) 27.698 8.460 ( -1.667 1.740 -8.729) 9.056 8.939 ( -7.082 -1.353 7.854) 10.662 9.545 ( -9.033 14.299 0.659) 16.926 10.021 ( -9.983 -35.269 1.700) 36.694 12.388 ( 13.773 4.833 -4.511) 15.278 14.453 ( 9.246 0.498 1.238) 9.341 15.296 ( 3.018 -7.561 -0.561) 8.161 15.399 ( -5.632 1.254 3.701) 6.855 16.184 ( -7.650 11.520 -1.937) 13.964 17.157 ( 7.898 11.346 3.836) 14.347 18.466 ( 5.746 9.526 -4.085) 11.851 ======================= Grid point 446 (319/441) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 -22.682) 22.682 1.462 ( 0.000 0.000 -37.201) 37.201 2.001 ( 0.000 0.000 -49.770) 49.770 5.978 ( -0.000 -0.000 40.971) 40.971 6.593 ( -0.000 -0.000 5.572) 5.572 8.951 ( 0.000 0.000 -24.784) 24.784 9.614 ( -0.000 -0.000 0.067) 0.067 10.215 ( -0.000 -0.000 10.350) 10.350 11.993 ( -0.000 -0.000 3.303) 3.303 14.826 ( -0.000 -0.000 9.550) 9.550 15.743 ( 0.000 0.000 -12.710) 12.710 16.626 ( -0.000 -0.000 3.927) 3.927 16.754 ( 0.000 0.000 -7.735) 7.735 18.661 ( 0.000 0.000 -1.576) 1.576 18.737 ( -0.000 -0.000 3.610) 3.610 ======================= Grid point 448 (320/441) ======================= q-point: (-0.24 0.24 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 11.546 0.983 -0.000) 11.588 5.346 ( 2.061 -18.314 -0.000) 18.430 5.757 ( 17.304 0.326 -0.000) 17.307 7.993 ( 8.569 -1.404 -0.000) 8.683 8.115 ( -2.983 15.865 0.000) 16.143 8.934 ( 16.455 -7.310 -0.000) 18.006 9.203 ( -6.327 -33.411 -0.000) 34.005 11.507 ( 16.103 6.581 -0.000) 17.396 11.746 ( 5.082 4.442 -0.000) 6.750 13.457 ( -5.937 -0.871 0.000) 6.001 15.584 ( -4.297 3.571 0.000) 5.587 15.649 ( -13.972 1.081 0.000) 14.013 16.931 ( 7.797 9.204 -0.000) 12.063 17.944 ( -8.473 3.941 0.000) 9.344 18.185 ( -19.674 -2.424 0.000) 19.823 ======================= Grid point 450 (321/441) ======================= q-point: (-0.32 -0.34 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -15.741 -3.040 -13.584) 21.013 3.393 ( -9.492 -8.570 -14.883) 19.623 4.509 ( -38.256 0.531 3.433) 38.413 6.158 ( -20.539 -39.317 16.556) 47.348 7.874 ( -30.176 -16.913 8.718) 35.674 8.782 ( 13.776 9.649 -8.277) 18.745 9.915 ( -3.986 6.053 2.341) 7.616 10.203 ( -9.722 -6.686 -2.799) 12.127 11.532 ( 9.848 -3.501 -13.494) 17.068 14.288 ( 8.886 -1.404 -2.774) 9.414 15.078 ( 17.086 3.143 9.072) 19.599 16.086 ( -1.500 14.182 4.114) 14.842 16.902 ( 2.659 2.981 -9.268) 10.092 17.852 ( 1.963 14.486 12.898) 19.495 18.732 ( 9.908 0.723 3.719) 10.608 ======================= Grid point 454 (322/441) ======================= q-point: (-0.48 -0.52 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -3.555 0.755 0.000) 3.634 4.948 ( -27.770 -5.373 0.000) 28.285 6.797 ( -32.241 -8.554 0.000) 33.357 8.268 ( -5.288 -21.483 -0.000) 22.124 8.357 ( 7.737 -12.990 -0.000) 15.120 9.916 ( -13.494 6.095 0.000) 14.807 10.614 ( -2.182 7.067 0.000) 7.396 10.881 ( -25.118 -30.237 0.000) 39.309 10.973 ( 10.098 2.110 -0.000) 10.316 13.765 ( 9.322 0.121 -0.000) 9.323 14.837 ( -5.001 -6.375 0.000) 8.103 15.356 ( 6.779 1.985 -0.000) 7.063 16.874 ( -5.664 15.913 0.000) 16.891 16.947 ( -3.456 8.001 0.000) 8.716 17.767 ( 18.836 -0.061 -0.000) 18.836 ======================= Grid point 461 (323/441) ======================= q-point: ( 0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -14.986 12.634 0.000) 19.601 2.979 ( -6.367 3.178 0.000) 7.117 3.736 ( -40.504 4.192 0.000) 40.720 8.296 ( -13.026 11.171 0.000) 17.160 8.455 ( -5.535 -4.470 0.000) 7.115 8.884 ( -7.848 -8.634 0.000) 11.668 9.255 ( -0.589 -5.269 -0.000) 5.302 11.186 ( -10.342 -13.350 0.000) 16.888 11.551 ( 7.993 36.622 0.000) 37.484 14.537 ( 9.760 -4.186 -0.000) 10.620 15.354 ( -7.926 1.463 0.000) 8.060 15.709 ( 6.286 -3.749 -0.000) 7.319 15.943 ( -5.173 -2.934 0.000) 5.947 16.812 ( 3.841 -2.357 -0.000) 4.507 18.348 ( -1.132 -3.042 -0.000) 3.246 ======================= Grid point 462 (324/441) ======================= q-point: (-0.25 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -7.176 -0.592 1.646) 7.386 5.238 ( -26.229 -1.811 4.622) 26.695 6.645 ( 21.906 -3.705 -12.125) 25.310 7.308 ( -22.740 -7.767 -1.443) 24.073 7.887 ( -9.340 0.024 11.023) 14.448 8.778 ( -6.031 -22.518 2.116) 23.408 9.702 ( 5.212 -6.503 -4.693) 9.564 11.295 ( -19.652 4.395 1.216) 20.174 11.936 ( -1.945 7.715 -1.159) 8.040 13.580 ( 10.159 -0.053 1.669) 10.295 14.657 ( -10.478 -1.829 -9.274) 14.112 15.630 ( 0.769 3.230 17.384) 17.698 17.309 ( -8.898 1.980 -5.001) 10.397 17.557 ( 8.325 1.793 1.090) 8.586 17.633 ( 6.185 3.386 4.745) 8.499 ======================= Grid point 464 (325/441) ======================= q-point: (-0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.000 -12.167 -21.788) 24.955 2.243 ( 0.000 -6.007 -26.192) 26.872 3.179 ( 0.000 -13.975 -30.815) 33.836 6.103 ( -0.000 -43.055 37.504) 57.099 6.664 ( -0.000 -9.269 6.477) 11.307 9.323 ( 0.000 4.989 -12.671) 13.618 9.452 ( 0.000 7.752 -0.116) 7.753 9.925 ( -0.000 0.704 1.183) 1.377 12.047 ( -0.000 -6.501 -0.761) 6.546 14.711 ( -0.000 -1.727 6.723) 6.941 15.688 ( 0.000 26.951 -16.317) 31.506 15.922 ( 0.000 1.767 -10.014) 10.169 16.648 ( 0.000 18.164 -7.267) 19.563 17.979 ( -0.000 8.017 9.001) 12.054 18.963 ( 0.000 4.075 -5.992) 7.246 ======================= Grid point 468 (326/441) ======================= q-point: (-0.48 -0.35 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -8.610 0.879 -8.285) 11.981 3.642 ( -7.839 0.629 2.119) 8.145 4.552 ( -39.875 -2.782 -0.446) 39.974 7.528 ( -15.477 -31.898 4.672) 35.761 8.553 ( -1.061 2.924 -6.555) 7.256 8.996 ( -24.325 -21.862 5.122) 33.104 9.637 ( -3.427 -11.385 1.655) 12.005 10.106 ( -13.108 14.915 -2.899) 20.067 12.011 ( 19.008 -7.403 -4.414) 20.871 14.305 ( 8.382 1.435 1.237) 8.593 14.991 ( 10.229 -6.442 2.154) 12.279 15.598 ( -4.101 5.633 2.161) 7.295 16.614 ( -5.239 16.185 -4.447) 17.583 17.196 ( 8.454 9.092 6.733) 14.123 18.509 ( 8.287 7.350 -0.795) 11.106 ======================= Grid point 473 (327/441) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 26.952 -0.000 -0.000) 26.952 5.233 ( 35.068 -0.000 -0.000) 35.068 5.329 ( -16.131 0.000 0.000) 16.131 7.501 ( 39.163 -0.000 -0.000) 39.163 8.612 ( -10.807 0.000 0.000) 10.807 8.716 ( -0.912 0.000 0.000) 0.912 8.730 ( 0.244 -0.000 -0.000) 0.244 11.219 ( 19.198 -0.000 -0.000) 19.198 11.626 ( 11.460 -0.000 -0.000) 11.460 13.575 ( -6.435 0.000 0.000) 6.435 15.692 ( -2.782 0.000 0.000) 2.782 15.927 ( -12.622 0.000 0.000) 12.622 16.902 ( 5.730 -0.000 -0.000) 5.730 18.150 ( -7.844 0.000 0.000) 7.844 18.558 ( -20.760 0.000 0.000) 20.760 ======================= Grid point 475 (328/441) ======================= q-point: (-0.25 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -10.863 -3.614 -11.241) 16.044 3.611 ( -25.172 -3.303 -6.975) 26.328 5.310 ( -40.063 1.739 7.909) 40.873 5.972 ( -24.367 -22.085 7.550) 33.742 8.122 ( -21.496 -9.174 8.953) 25.028 8.663 ( 17.269 7.081 -4.876) 19.291 9.876 ( 2.574 -13.028 -8.963) 16.021 10.289 ( -9.623 3.618 4.412) 11.187 11.524 ( -4.385 4.292 -12.172) 13.632 14.081 ( 8.876 -1.148 -4.843) 10.177 14.806 ( 13.779 0.766 14.802) 20.237 16.324 ( 6.837 11.530 5.997) 14.686 16.829 ( -1.476 -3.887 -2.630) 4.920 18.071 ( 6.091 12.685 9.547) 17.005 18.459 ( 12.082 -5.158 6.107) 14.487 ======================= Grid point 476 (329/441) ======================= q-point: ( 0.21 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 0.778 -2.716 -0.219) 2.833 5.886 ( 6.364 1.629 -0.871) 6.627 7.977 ( -0.108 25.057 -0.138) 25.058 8.284 ( 15.157 5.600 1.060) 16.194 8.561 ( -7.061 14.463 1.451) 16.160 10.203 ( 3.437 -20.173 -0.741) 20.477 10.489 ( 1.230 -19.425 -1.531) 19.524 10.799 ( 0.546 16.764 1.915) 16.882 12.127 ( 2.623 25.003 -1.544) 25.187 13.558 ( -2.646 0.694 0.001) 2.736 14.936 ( 0.100 5.509 -0.262) 5.516 15.280 ( -0.305 -8.020 -0.242) 8.030 16.711 ( 5.458 -4.577 3.423) 7.903 16.983 ( 6.228 -10.229 0.704) 11.997 17.280 ( -16.285 -6.825 -5.442) 18.477 ======================= Grid point 479 (330/441) ======================= q-point: (-0.41 -0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -4.729 0.911 0.000) 4.816 5.352 ( -24.246 -5.064 0.000) 24.769 7.007 ( -5.259 -12.767 -0.000) 13.808 7.959 ( -0.884 -13.985 -0.000) 14.013 8.003 ( -4.097 -12.780 -0.000) 13.420 9.954 ( -13.182 -26.250 -0.000) 29.374 10.239 ( 8.464 -17.183 -0.000) 19.154 11.061 ( -20.880 0.493 0.000) 20.886 11.329 ( -0.959 21.512 0.000) 21.533 13.576 ( 8.688 -0.752 -0.000) 8.720 14.893 ( -10.534 -3.425 0.000) 11.077 15.301 ( 3.610 3.215 -0.000) 4.834 17.207 ( -7.112 6.950 0.000) 9.944 17.272 ( -4.978 11.065 0.000) 12.133 17.413 ( 17.593 3.006 -0.000) 17.848 ======================= Grid point 482 (331/441) ======================= q-point: (-0.49 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 1.345 -19.713) 19.759 2.744 ( 0.000 -0.581 -11.818) 11.832 3.701 ( 0.000 0.879 -1.096) 1.405 7.118 ( -0.000 -17.319 4.048) 17.785 7.776 ( -0.000 -44.483 7.282) 45.075 9.009 ( 0.000 13.964 -0.607) 13.977 9.321 ( -0.000 -8.868 -0.003) 8.868 9.821 ( -0.000 5.218 5.971) 7.930 12.511 ( 0.000 -6.978 -9.087) 11.457 14.717 ( -0.000 -3.121 3.573) 4.744 15.164 ( 0.000 9.616 -5.761) 11.210 15.793 ( 0.000 16.174 6.790) 17.541 15.951 ( 0.000 3.810 -5.420) 6.625 17.597 ( 0.000 8.804 3.318) 9.409 18.737 ( 0.000 12.787 -9.611) 15.996 ======================= Grid point 486 (332/441) ======================= q-point: ( 0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -4.534 1.269 0.000) 4.708 3.456 ( -19.873 5.708 0.000) 20.677 4.628 ( -43.510 0.082 0.000) 43.510 8.558 ( -19.671 -14.172 0.000) 24.244 8.627 ( -9.568 -2.314 0.000) 9.844 8.839 ( -0.045 0.951 0.000) 0.952 9.399 ( -5.010 15.203 0.000) 16.008 11.018 ( -17.123 -29.642 0.000) 34.232 11.899 ( 14.036 17.774 -0.000) 22.648 14.275 ( 8.984 -2.329 -0.000) 9.281 15.389 ( 8.836 -9.394 -0.000) 12.896 15.498 ( -4.236 0.742 0.000) 4.300 16.085 ( -3.265 7.251 0.000) 7.952 16.763 ( 6.102 6.346 -0.000) 8.804 18.332 ( 0.447 -0.086 -0.000) 0.455 ======================= Grid point 487 (333/441) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -8.671 -0.000 1.731) 8.842 5.674 ( -18.019 0.000 2.229) 18.157 6.009 ( 30.873 0.000 -5.567) 31.371 7.637 ( -16.894 0.000 1.821) 16.992 8.251 ( -15.780 -0.000 2.873) 16.040 8.477 ( 3.382 -0.000 -0.144) 3.385 9.524 ( 8.216 0.000 -1.932) 8.440 11.659 ( -12.041 0.000 0.374) 12.047 11.999 ( 3.890 -0.000 -0.526) 3.925 13.421 ( 5.068 -0.000 2.516) 5.658 14.857 ( -11.095 0.000 -15.137) 18.768 15.705 ( -4.315 -0.000 18.937) 19.423 17.373 ( 6.318 0.000 -2.349) 6.740 17.568 ( -4.538 0.000 -2.488) 5.176 17.618 ( -6.380 -0.000 2.393) 6.814 ======================= Grid point 489 (334/441) ======================= q-point: (-0.26 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -12.636 -19.112 -22.095) 31.830 2.248 ( -9.575 -7.169 -30.295) 32.570 3.135 ( -21.383 -5.594 -30.505) 37.671 5.477 ( -5.314 -21.556 39.790) 45.565 6.771 ( -23.187 -4.837 11.444) 26.306 9.276 ( 8.386 3.919 -15.182) 17.781 9.649 ( -5.880 -0.646 -2.807) 6.547 9.993 ( -1.738 4.426 6.053) 7.697 11.767 ( 15.610 -4.090 -1.903) 16.248 14.590 ( 8.606 -0.658 1.779) 8.813 15.765 ( 12.554 4.318 -10.919) 17.189 16.337 ( -5.294 17.043 1.624) 17.920 16.884 ( 2.937 3.918 -11.279) 12.296 18.328 ( -5.993 18.539 8.498) 21.256 18.959 ( -0.978 -5.003 1.936) 5.453 ======================= Grid point 493 (335/441) ======================= q-point: (-0.41 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -5.339 0.029 -2.641) 5.956 3.867 ( -17.944 -3.002 -2.628) 18.382 5.262 ( -39.596 -3.976 3.659) 39.963 7.162 ( -19.099 -34.581 3.048) 39.622 8.540 ( 9.143 2.652 -4.788) 10.656 8.944 ( -30.330 -35.533 0.429) 46.719 9.790 ( -8.197 12.360 2.041) 14.971 10.511 ( -7.839 -1.414 0.080) 7.966 11.519 ( 15.554 0.007 -6.563) 16.882 14.163 ( 8.506 0.723 0.186) 8.539 14.676 ( 8.032 -5.748 4.311) 10.777 15.756 ( 3.379 8.500 3.891) 9.940 16.913 ( 1.793 7.235 -8.383) 11.218 17.304 ( 1.499 13.560 11.284) 17.705 18.415 ( 12.261 3.063 1.832) 12.770 ======================= Grid point 499 (336/441) ======================= q-point: ( 0.35 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 7.506 -18.288) 19.769 2.725 ( 0.000 6.941 -1.381) 7.077 3.375 ( -0.000 6.065 15.935) 17.050 7.857 ( -0.000 -20.050 1.114) 20.081 8.372 ( 0.000 17.287 -0.734) 17.303 8.626 ( 0.000 -2.327 -14.083) 14.274 9.323 ( -0.000 0.177 16.014) 16.015 10.505 ( -0.000 -30.672 1.619) 30.715 12.363 ( 0.000 23.406 -3.322) 23.640 14.828 ( -0.000 -4.055 0.586) 4.097 14.992 ( -0.000 0.485 2.714) 2.757 15.615 ( -0.000 -9.679 -0.968) 9.727 15.816 ( 0.000 5.402 -0.809) 5.462 17.096 ( 0.000 9.730 4.686) 10.800 18.415 ( 0.000 8.076 -6.449) 10.334 ======================= Grid point 500 (337/441) ======================= q-point: (-0.19 -0.48 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -8.873 0.000 -5.651) 10.519 4.155 ( -31.617 0.000 2.859) 31.746 6.110 ( -37.337 -0.000 11.372) 39.031 6.190 ( -19.151 0.000 -10.715) 21.945 8.353 ( -12.075 -0.000 6.115) 13.535 8.367 ( 17.493 -0.000 7.009) 18.845 9.628 ( 5.619 0.000 -15.162) 16.170 10.603 ( -17.084 -0.000 4.540) 17.677 11.719 ( -8.530 0.000 -7.004) 11.037 13.908 ( 7.507 0.000 -5.782) 9.475 14.593 ( 7.918 -0.000 14.620) 16.627 16.236 ( 10.830 -0.000 12.028) 16.185 16.909 ( -8.161 0.000 -1.954) 8.392 18.063 ( 12.372 -0.000 10.189) 16.028 18.133 ( 9.762 -0.000 2.896) 10.182 ======================= Grid point 501 (338/441) ======================= q-point: ( 0.27 0.23 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 1.595 -0.824 -0.142) 1.801 5.650 ( 19.467 0.430 -0.711) 19.484 7.892 ( 29.109 1.816 -1.352) 29.197 8.444 ( -3.667 12.304 2.723) 13.124 8.942 ( -2.814 10.175 1.911) 10.728 9.756 ( 6.338 -9.994 0.141) 11.836 10.056 ( 7.111 -13.116 -3.291) 15.278 11.057 ( -1.359 7.171 1.876) 7.536 12.383 ( 8.721 9.432 -1.780) 12.969 13.665 ( -6.725 0.247 -0.096) 6.731 15.027 ( 1.209 3.624 -0.376) 3.839 15.175 ( -3.329 -4.126 0.566) 5.331 16.504 ( 10.876 -0.688 2.153) 11.109 16.705 ( -0.494 -6.955 -1.344) 7.101 17.591 ( -20.788 -1.629 -2.457) 20.996 ======================= Grid point 504 (339/441) ======================= q-point: (-0.34 0.34 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( -6.471 1.358 0.000) 6.612 5.692 ( -17.262 -2.162 0.000) 17.397 6.454 ( 22.466 -18.442 -0.000) 29.065 7.886 ( -12.912 -10.570 0.000) 16.687 7.926 ( -1.915 -0.335 0.000) 1.944 9.553 ( -11.404 -34.355 -0.000) 36.199 9.763 ( 10.537 -11.427 -0.000) 15.543 11.495 ( -12.399 6.825 0.000) 14.154 11.688 ( 3.716 15.145 0.000) 15.594 13.421 ( 4.347 -1.201 -0.000) 4.510 15.091 ( -13.429 -0.811 0.000) 13.453 15.355 ( -1.186 4.251 0.000) 4.414 17.167 ( 14.894 7.709 -0.000) 16.770 17.495 ( -9.120 5.227 0.000) 10.512 17.590 ( -10.049 2.933 0.000) 10.468 ======================= Grid point 506 (340/441) ======================= q-point: (-0.42 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -2.763 -1.924 -20.629) 20.902 2.985 ( -22.879 -3.682 -16.111) 28.224 3.686 ( 0.111 -0.730 -5.384) 5.434 6.588 ( -0.718 -44.856 15.688) 47.525 7.119 ( -24.776 -28.097 8.096) 38.325 9.076 ( 10.903 8.569 -2.224) 14.045 9.536 ( -11.720 8.053 -3.106) 14.555 9.895 ( 0.057 3.026 1.446) 3.354 12.204 ( 8.225 -13.288 -5.367) 16.523 14.603 ( 5.115 -1.832 2.388) 5.935 15.464 ( 1.196 14.937 -6.855) 16.478 15.817 ( 10.574 8.961 2.906) 14.162 16.451 ( -13.230 19.047 -5.799) 23.905 17.717 ( 1.728 5.767 6.502) 8.861 18.918 ( 4.397 8.701 -6.595) 11.770 ======================= Grid point 510 (341/441) ======================= q-point: (-0.57 -0.43 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -4.118 0.867 0.000) 4.208 3.945 ( -24.057 -0.093 0.000) 24.058 5.421 ( -41.305 -4.161 0.000) 41.514 8.422 ( -14.468 -28.318 -0.000) 31.800 8.649 ( -3.310 -6.417 -0.000) 7.220 9.143 ( -9.317 15.696 0.000) 18.253 9.946 ( -7.646 22.710 0.000) 23.962 10.681 ( -22.551 -40.295 0.000) 46.176 11.734 ( 18.727 -0.726 -0.000) 18.741 14.094 ( 8.347 0.767 -0.000) 8.382 15.035 ( 5.760 -10.354 -0.000) 11.848 15.546 ( 1.809 1.566 -0.000) 2.392 16.380 ( -2.659 15.759 0.000) 15.981 16.807 ( 4.856 8.264 -0.000) 9.585 18.281 ( 6.485 0.838 -0.000) 6.539 ======================= Grid point 514 (342/441) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -23.577 0.000 -23.971) 33.623 2.398 ( -16.095 0.000 -26.189) 30.740 3.729 ( -39.965 0.000 -16.494) 43.235 5.416 ( -10.151 -0.000 35.077) 36.517 7.272 ( -29.981 -0.000 17.061) 34.496 9.164 ( 9.751 0.000 -16.569) 19.225 9.658 ( 0.535 0.000 -1.018) 1.150 10.128 ( -6.084 -0.000 5.175) 7.987 11.398 ( 14.486 0.000 -11.572) 18.541 14.381 ( 11.152 0.000 -4.517) 12.032 15.568 ( 11.539 -0.000 -1.477) 11.633 16.599 ( -2.616 -0.000 3.118) 4.069 16.780 ( 6.128 0.000 -7.385) 9.596 18.598 ( 4.590 -0.000 -0.693) 4.642 18.887 ( -0.482 -0.000 19.503) 19.509 ======================= Grid point 517 (343/441) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 20.957 0.000) 20.957 2.282 ( 0.000 14.471 0.000) 14.471 2.996 ( 0.000 4.150 0.000) 4.150 7.669 ( 0.000 16.760 0.000) 16.760 8.635 ( -0.000 -17.654 -0.000) 17.654 8.699 ( 0.000 5.628 0.000) 5.628 9.486 ( -0.000 -14.435 -0.000) 14.435 10.820 ( 0.000 47.960 0.000) 47.960 11.142 ( -0.000 -0.811 -0.000) 0.811 14.905 ( 0.000 7.715 0.000) 7.715 15.007 ( -0.000 -4.381 -0.000) 4.381 15.577 ( 0.000 5.775 0.000) 5.775 16.110 ( -0.000 -9.537 -0.000) 9.537 17.053 ( -0.000 -14.745 -0.000) 14.745 18.413 ( -0.000 -4.512 -0.000) 4.512 ======================= Grid point 518 (344/441) ======================= q-point: (-0.35 -0.49 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -3.827 -0.912 -1.008) 4.061 4.222 ( -25.373 -4.253 0.724) 25.737 5.958 ( -37.439 -2.299 6.228) 38.023 6.956 ( -22.403 -24.743 -6.022) 33.917 8.283 ( 17.138 -2.401 0.283) 17.308 8.800 ( -18.672 -25.559 1.923) 31.711 10.193 ( 0.835 -8.187 -4.966) 9.612 10.362 ( -11.764 1.900 4.186) 12.630 11.572 ( -1.497 12.403 -4.768) 13.372 13.997 ( 9.492 0.320 -1.075) 9.558 14.479 ( 0.594 -4.648 3.750) 6.002 15.789 ( 10.005 7.632 8.994) 15.468 16.977 ( -3.756 0.785 -4.488) 5.905 17.570 ( 2.524 13.127 7.058) 15.117 18.165 ( 15.312 -0.014 2.400) 15.499 ======================= Grid point 524 (345/441) ======================= q-point: (-0.58 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -2.409 3.931 -16.692) 17.317 3.146 ( -24.978 4.470 -4.797) 25.824 3.497 ( -0.504 4.841 12.002) 12.952 7.537 ( -8.860 -20.691 2.042) 22.601 8.455 ( 0.874 -5.894 -10.877) 12.402 8.791 ( -6.891 3.260 3.793) 8.514 9.400 ( -5.483 5.737 10.451) 13.122 9.892 ( -3.493 -28.116 0.683) 28.340 12.603 ( 7.663 6.283 -5.383) 11.277 14.633 ( 8.686 -1.210 1.273) 8.861 15.173 ( -9.366 2.439 0.762) 9.709 15.447 ( 4.832 -2.150 2.669) 5.924 16.019 ( -8.028 7.855 -1.855) 11.384 17.283 ( 4.542 11.757 3.073) 12.973 18.579 ( 4.931 11.782 -5.991) 14.107 ======================= Grid point 529 (346/441) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( -4.067 1.809 0.000) 4.451 5.605 ( 22.916 -15.864 -0.000) 27.871 5.893 ( -3.282 0.095 0.000) 3.283 7.953 ( -9.119 -4.625 0.000) 10.225 8.083 ( -1.078 13.484 0.000) 13.527 9.056 ( -8.311 -32.275 -0.000) 33.328 9.314 ( 18.363 -5.500 -0.000) 19.169 11.767 ( -3.184 4.288 0.000) 5.340 11.775 ( 10.793 7.284 -0.000) 13.021 13.374 ( -1.859 -0.838 0.000) 2.040 15.366 ( -14.579 0.271 0.000) 14.582 15.496 ( -4.366 3.261 0.000) 5.449 17.105 ( 9.864 8.386 -0.000) 12.947 17.766 ( -9.544 3.079 0.000) 10.029 17.834 ( -15.250 -2.128 0.000) 15.398 ======================= Grid point 531 (347/441) ======================= q-point: (-0.35 -0.32 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -11.791 -4.089 -20.286) 23.818 3.214 ( -12.253 -11.651 -21.885) 27.656 3.876 ( -22.820 2.050 -0.954) 22.932 5.786 ( -16.297 -44.656 23.359) 52.966 7.270 ( -29.925 -14.339 9.596) 34.542 9.043 ( 12.509 10.679 -6.318) 17.619 9.857 ( -3.316 6.755 3.677) 8.376 9.987 ( -10.083 -3.550 -6.090) 12.303 11.750 ( 11.221 -9.252 -8.508) 16.850 14.451 ( 7.422 -1.099 -0.518) 7.521 15.443 ( 19.189 6.417 0.286) 20.235 16.034 ( -3.122 15.080 3.928) 15.893 16.931 ( -0.305 9.295 -11.887) 15.092 17.867 ( -0.544 12.607 13.331) 18.357 18.905 ( 7.604 1.323 -0.028) 7.718 ======================= Grid point 535 (348/441) ======================= q-point: (-0.51 -0.49 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -3.716 0.483 0.000) 3.748 4.402 ( -26.716 -4.138 0.000) 27.034 6.094 ( -38.112 -6.363 0.000) 38.640 8.099 ( -11.875 -27.011 -0.000) 29.506 8.491 ( 5.423 -7.786 -0.000) 9.489 9.679 ( -10.636 12.257 0.000) 16.228 10.343 ( -28.814 -38.020 0.000) 47.705 10.518 ( -6.893 14.975 0.000) 16.485 11.254 ( 17.768 -5.275 -0.000) 18.535 13.949 ( 9.149 1.252 -0.000) 9.234 14.777 ( -0.744 -9.292 -0.000) 9.322 15.498 ( 7.009 2.718 -0.000) 7.517 16.795 ( -2.741 18.362 0.000) 18.565 16.910 ( 0.053 6.709 0.000) 6.709 18.093 ( 14.114 0.820 -0.000) 14.138 ======================= Grid point 542 (349/441) ======================= q-point: ( 0.26 -0.26 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -6.345 16.180 0.000) 17.379 2.765 ( -16.875 8.190 0.000) 18.757 3.157 ( -14.282 2.859 0.000) 14.565 8.094 ( -7.196 15.635 0.000) 17.212 8.322 ( -6.291 -16.726 -0.000) 17.870 8.809 ( -1.189 1.960 0.000) 2.293 9.234 ( -1.155 -8.967 -0.000) 9.041 11.032 ( -5.216 -15.199 -0.000) 16.069 11.677 ( 4.581 38.743 0.000) 39.013 14.733 ( 10.232 -3.817 -0.000) 10.921 15.165 ( -10.652 -0.418 0.000) 10.660 15.740 ( -2.599 3.995 0.000) 4.766 15.882 ( -0.428 -10.594 -0.000) 10.603 16.880 ( 2.749 0.117 -0.000) 2.752 18.357 ( 1.461 0.179 -0.000) 1.472 ======================= Grid point 543 (350/441) ======================= q-point: (-0.28 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -5.108 -0.886 0.399) 5.199 4.686 ( -28.687 -2.616 4.758) 29.196 6.613 ( -28.091 1.625 4.808) 28.546 6.984 ( -12.683 -11.151 -21.587) 27.408 7.853 ( 11.627 -5.435 16.161) 20.637 8.640 ( -8.859 -16.485 2.372) 18.864 9.819 ( 6.918 -8.007 -6.814) 12.586 10.876 ( -21.818 4.655 2.301) 22.427 11.862 ( -4.987 7.404 -2.309) 9.221 13.798 ( 11.292 0.256 -0.150) 11.296 14.474 ( -7.276 -2.446 -2.043) 7.943 15.713 ( 7.887 3.662 15.017) 17.353 17.128 ( -9.132 0.886 -3.397) 9.784 17.678 ( 6.366 5.204 4.127) 9.200 17.866 ( 13.895 0.680 2.245) 14.092 ======================= Grid point 549 (351/441) ======================= q-point: (-0.51 -0.32 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -6.574 1.729 -15.237) 16.685 3.572 ( -0.530 2.846 7.522) 8.059 3.805 ( -35.112 -0.644 -4.269) 35.377 7.255 ( -11.437 -29.793 4.941) 32.293 8.297 ( -23.014 -28.012 -4.539) 36.536 8.786 ( 2.471 -2.166 6.141) 6.965 9.603 ( -1.439 -3.847 0.740) 4.173 9.844 ( -12.627 13.581 -1.721) 18.624 12.343 ( 14.217 -8.281 -4.930) 17.176 14.466 ( 7.841 0.390 1.150) 7.935 15.216 ( 11.585 0.338 0.151) 11.591 15.486 ( -6.009 7.061 3.478) 9.902 16.455 ( -10.742 15.164 -3.158) 18.850 17.367 ( 8.163 8.657 4.552) 12.740 18.676 ( 8.542 10.236 -3.386) 13.756 ======================= Grid point 554 (352/441) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 13.937 -0.000 -0.000) 13.937 5.154 ( 1.339 -0.000 -0.000) 1.339 5.760 ( 17.399 -0.000 -0.000) 17.399 7.977 ( 6.971 -0.000 -0.000) 6.971 8.452 ( -4.961 0.000 0.000) 4.961 8.684 ( -5.109 0.000 0.000) 5.109 8.860 ( 17.461 -0.000 -0.000) 17.461 11.575 ( 16.455 -0.000 -0.000) 16.455 11.791 ( 5.009 -0.000 -0.000) 5.009 13.448 ( -5.941 0.000 0.000) 5.941 15.621 ( -4.301 0.000 0.000) 4.301 15.659 ( -14.407 0.000 0.000) 14.407 17.033 ( 7.628 -0.000 -0.000) 7.628 17.984 ( -8.972 0.000 0.000) 8.972 18.154 ( -19.808 0.000 0.000) 19.808 ======================= Grid point 556 (353/441) ======================= q-point: (-0.28 -0.38 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -16.012 -4.080 -18.752) 24.993 3.222 ( -14.605 -7.010 -18.728) 24.762 4.543 ( -36.742 2.741 4.652) 37.136 5.475 ( -24.817 -25.439 20.947) 41.253 7.628 ( -27.898 -7.637 11.866) 31.264 8.994 ( 15.755 10.277 -8.698) 20.724 9.873 ( -1.973 -9.958 -4.932) 11.286 10.139 ( -7.024 2.085 3.954) 8.326 11.507 ( 2.840 0.147 -14.576) 14.850 14.264 ( 9.385 -0.809 -3.559) 10.070 15.135 ( 19.355 2.151 9.919) 21.855 16.387 ( -0.255 14.809 3.010) 15.114 16.870 ( 5.194 -5.838 -5.170) 9.369 18.170 ( 3.691 16.084 10.894) 19.774 18.675 ( 9.817 -6.381 5.545) 12.955 ======================= Grid point 560 (354/441) ======================= q-point: (-0.44 -0.56 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( -4.155 -0.054 0.000) 4.155 4.832 ( -27.496 -5.756 0.000) 28.092 6.642 ( -28.905 -6.141 0.000) 29.550 7.849 ( -11.720 -19.113 0.000) 22.420 8.102 ( 12.626 -12.239 -0.000) 17.584 9.702 ( -12.518 -27.341 -0.000) 30.070 10.411 ( 8.878 -16.303 -0.000) 18.564 10.585 ( -26.562 2.213 0.000) 26.654 11.299 ( -1.176 19.780 0.000) 19.815 13.772 ( 10.630 0.499 -0.000) 10.642 14.704 ( -8.124 -6.299 0.000) 10.280 15.409 ( 7.354 3.249 -0.000) 8.040 17.082 ( -5.397 4.935 0.000) 7.313 17.190 ( -2.380 14.620 0.000) 14.812 17.786 ( 18.514 1.642 -0.000) 18.587 ======================= Grid point 567 (355/441) ======================= q-point: ( 0.33 -0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -4.616 2.111 0.000) 5.076 3.156 ( -10.829 9.799 0.000) 14.605 3.807 ( -38.435 2.774 0.000) 38.535 8.196 ( -16.333 -18.783 0.000) 24.891 8.472 ( -5.893 5.912 0.000) 8.347 8.843 ( 0.144 1.922 0.000) 1.927 9.278 ( -6.880 8.041 0.000) 10.582 10.726 ( -12.153 -31.184 -0.000) 33.468 12.153 ( 11.316 21.818 0.000) 24.578 14.460 ( 9.757 -2.517 -0.000) 10.076 15.356 ( -9.695 -0.650 0.000) 9.716 15.529 ( 5.209 -11.823 -0.000) 12.920 16.003 ( -5.330 7.366 0.000) 9.092 16.896 ( 6.756 9.122 -0.000) 11.351 18.361 ( 2.930 4.261 -0.000) 5.171 ======================= Grid point 568 (356/441) ======================= q-point: (-0.21 -0.62 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -7.458 -0.000 1.827) 7.679 5.220 ( -26.941 -0.000 4.969) 27.396 6.610 ( 27.606 0.000 -17.116) 32.482 7.223 ( -25.267 0.000 3.707) 25.538 7.910 ( -17.041 -0.000 12.271) 20.999 8.520 ( 0.232 -0.000 0.776) 0.810 9.637 ( 4.442 0.000 -5.273) 6.895 11.341 ( -19.602 0.000 1.395) 19.652 12.015 ( -2.011 0.000 -1.367) 2.432 13.579 ( 10.399 -0.000 1.681) 10.534 14.638 ( -10.918 0.000 -9.468) 14.452 15.664 ( 0.745 -0.000 18.458) 18.473 17.328 ( -8.776 0.000 -4.472) 9.850 17.577 ( 4.994 -0.000 0.247) 5.000 17.667 ( 9.179 -0.000 4.634) 10.282 ======================= Grid point 570 (357/441) ======================= q-point: (-0.29 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.000 -23.499 -22.015) 32.201 2.141 ( 0.000 -3.685 -30.515) 30.737 2.927 ( 0.000 -8.855 -38.939) 39.933 5.426 ( -0.000 -22.210 42.390) 47.856 6.521 ( -0.000 -4.756 7.158) 8.594 9.373 ( 0.000 0.139 -18.310) 18.311 9.572 ( 0.000 3.947 0.039) 3.947 9.980 ( -0.000 3.912 6.639) 7.706 11.940 ( -0.000 -3.737 4.767) 6.057 14.684 ( -0.000 -0.939 6.960) 7.023 15.950 ( 0.000 0.960 -10.567) 10.611 16.240 ( 0.000 24.570 -3.901) 24.878 16.915 ( 0.000 5.629 -11.794) 13.068 18.240 ( 0.000 18.906 6.563) 20.012 18.947 ( -0.000 -6.486 -2.206) 6.851 ======================= Grid point 574 (358/441) ======================= q-point: (-0.44 -0.39 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -8.021 0.553 -10.025) 12.850 3.638 ( -5.561 -1.021 -1.227) 5.786 4.491 ( -38.143 -3.052 0.858) 38.275 6.783 ( -18.362 -41.298 7.646) 45.838 8.280 ( -34.780 -30.986 1.381) 46.601 8.726 ( 8.769 6.352 -3.390) 11.346 9.695 ( -2.501 8.604 2.312) 9.253 10.307 ( -12.149 3.769 -2.769) 13.018 11.841 ( 15.783 -7.611 -6.607) 18.727 14.323 ( 7.713 0.255 0.291) 7.722 14.919 ( 16.357 -0.916 4.131) 16.895 15.763 ( -2.487 10.511 2.677) 11.128 16.928 ( -1.941 13.107 -9.169) 16.113 17.366 ( 5.310 8.591 11.694) 15.452 18.642 ( 11.096 5.081 0.038) 12.204 ======================= Grid point 581 (359/441) ======================= q-point: (-0.22 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -11.583 0.000 -13.651) 17.903 3.576 ( -26.288 0.000 -7.183) 27.251 5.346 ( -39.475 -0.000 9.597) 40.625 5.723 ( -26.679 -0.000 7.311) 27.663 8.030 ( -20.724 -0.000 10.155) 23.078 8.750 ( 20.158 -0.000 -2.632) 20.329 9.720 ( 2.840 0.000 -12.236) 12.561 10.332 ( -10.370 -0.000 4.602) 11.346 11.569 ( -5.911 0.000 -12.288) 13.636 14.069 ( 8.997 0.000 -5.109) 10.346 14.814 ( 14.470 -0.000 15.402) 21.133 16.473 ( 12.658 -0.000 5.328) 13.733 16.758 ( -7.009 0.000 -0.197) 7.011 18.289 ( 10.437 -0.000 13.307) 16.911 18.319 ( 8.968 -0.000 1.563) 9.103 ======================= Grid point 582 (360/441) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 0.584 -0.993 -0.063) 1.154 5.908 ( 6.561 0.538 -0.285) 6.589 8.324 ( 12.464 3.495 -2.240) 13.137 8.404 ( 0.196 9.908 2.564) 10.236 8.859 ( -4.384 11.259 0.936) 12.119 9.833 ( 1.794 -12.906 -0.086) 13.031 10.160 ( 2.926 -10.289 -1.120) 10.755 11.044 ( -0.191 6.422 0.626) 6.456 12.500 ( 3.025 9.984 -0.610) 10.450 13.568 ( -2.713 0.245 -0.009) 2.724 15.042 ( 0.208 4.785 -0.060) 4.789 15.144 ( -0.336 -5.383 0.088) 5.394 16.652 ( 1.088 -1.201 0.564) 1.716 16.812 ( 14.339 -5.250 1.183) 15.316 17.180 ( -19.915 -2.616 -2.283) 20.215 ======================= Grid point 585 (361/441) ======================= q-point: (-0.37 -0.63 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -6.102 -0.315 0.000) 6.110 5.257 ( -25.810 -4.047 0.000) 26.125 6.809 ( 7.213 -6.232 -0.000) 9.533 7.656 ( -4.913 -15.573 -0.000) 16.329 7.809 ( -10.514 -6.039 0.000) 12.125 9.324 ( -11.701 -31.642 -0.000) 33.736 9.933 ( 7.706 -12.302 -0.000) 14.516 11.166 ( -20.491 6.793 0.000) 21.588 11.709 ( -1.322 15.356 0.000) 15.413 13.565 ( 9.865 -0.338 -0.000) 9.870 14.827 ( -13.185 -2.809 0.000) 13.481 15.370 ( 3.039 3.363 -0.000) 4.533 17.315 ( -9.015 3.694 0.000) 9.743 17.463 ( -2.052 7.316 0.000) 7.598 17.484 ( 16.113 3.905 -0.000) 16.580 ======================= Grid point 588 (362/441) ======================= q-point: (-0.45 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 -2.252 -22.420) 22.533 2.719 ( 0.000 -1.750 -16.429) 16.522 3.696 ( 0.000 -1.509 -7.373) 7.526 6.655 ( -0.000 -60.438 18.758) 63.282 6.794 ( -0.000 -14.280 5.247) 15.214 9.264 ( 0.000 11.001 -0.307) 11.006 9.333 ( 0.000 6.561 -6.307) 9.101 9.903 ( -0.000 2.307 3.660) 4.327 12.287 ( -0.000 -13.448 -3.101) 13.801 14.657 ( -0.000 -2.687 4.091) 4.895 15.453 ( 0.000 17.921 -7.372) 19.378 16.024 ( 0.000 3.254 -6.533) 7.298 16.232 ( 0.000 26.484 0.308) 26.486 17.733 ( -0.000 4.559 5.047) 6.801 18.964 ( 0.000 8.777 -8.136) 11.967 ======================= Grid point 592 (363/441) ======================= q-point: (-0.60 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( -3.911 1.369 0.000) 4.144 3.551 ( -15.689 3.598 0.000) 16.097 4.610 ( -40.697 -1.793 0.000) 40.737 8.091 ( -17.946 -26.916 0.000) 32.350 8.586 ( -2.415 -0.525 0.000) 2.472 8.990 ( -7.294 7.883 0.000) 10.739 9.769 ( -10.423 19.359 0.000) 21.987 10.276 ( -17.771 -40.496 -0.000) 44.224 12.104 ( 18.240 2.826 -0.000) 18.457 14.263 ( 8.825 0.850 -0.000) 8.866 15.166 ( 7.187 -11.256 -0.000) 13.355 15.512 ( -5.149 1.349 0.000) 5.323 16.320 ( -4.090 14.814 0.000) 15.369 16.945 ( 8.632 9.982 -0.000) 13.197 18.388 ( 5.184 5.142 -0.000) 7.301 ======================= Grid point 596 (364/441) ======================= q-point: (-0.22 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -17.877 0.000 -24.085) 29.995 2.179 ( -7.151 0.000 -32.151) 32.937 3.079 ( -24.008 0.000 -31.869) 39.900 5.258 ( -5.635 -0.000 41.089) 41.473 6.722 ( -23.223 -0.000 11.906) 26.098 9.314 ( 5.288 0.000 -19.314) 20.025 9.638 ( -1.980 -0.000 0.364) 2.013 10.046 ( -2.086 -0.000 7.541) 7.824 11.725 ( 15.791 -0.000 -0.617) 15.803 14.583 ( 8.475 -0.000 2.010) 8.710 15.805 ( 12.255 0.000 -10.496) 16.135 16.560 ( -1.295 -0.000 4.117) 4.316 16.882 ( 3.751 0.000 -9.064) 9.809 18.668 ( 2.407 0.000 -1.439) 2.805 18.782 ( -8.973 -0.000 12.764) 15.602 ======================= Grid point 600 (365/441) ======================= q-point: (-0.38 -0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -4.703 -0.462 -4.436) 6.482 3.802 ( -16.317 -3.152 -4.571) 17.236 5.193 ( -39.368 -2.613 5.181) 39.793 6.447 ( -28.074 -34.006 4.160) 44.293 8.338 ( -26.587 -23.175 2.860) 35.386 8.625 ( 15.415 5.137 -4.161) 16.772 10.015 ( -9.850 8.867 0.853) 13.280 10.334 ( -0.918 -12.763 -0.452) 12.804 11.609 ( 5.302 6.842 -8.837) 12.370 14.166 ( 8.036 -0.320 -1.723) 8.225 14.596 ( 11.586 -2.327 7.632) 14.068 15.964 ( 6.511 11.559 5.056) 14.197 16.961 ( 2.531 -1.931 -4.556) 5.558 17.611 ( 1.333 15.836 8.288) 17.923 18.446 ( 13.309 -0.318 1.924) 13.451 ======================= Grid point 606 (366/441) ======================= q-point: (-0.61 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 0.000 5.153 -20.318) 20.962 2.842 ( 0.000 4.601 -4.028) 6.115 3.497 ( -0.000 5.700 13.961) 15.080 7.447 ( -0.000 -19.825 1.738) 19.901 8.471 ( -0.000 -17.940 -10.677) 20.877 8.713 ( 0.000 15.973 -0.549) 15.982 9.343 ( -0.000 0.093 15.935) 15.935 9.862 ( -0.000 -24.804 0.397) 24.807 12.679 ( 0.000 6.719 -5.655) 8.782 14.745 ( -0.000 -3.963 1.362) 4.191 15.051 ( 0.000 5.552 1.024) 5.646 15.505 ( -0.000 0.916 2.529) 2.690 15.926 ( 0.000 5.262 -2.027) 5.639 17.328 ( 0.000 11.858 2.754) 12.174 18.632 ( 0.000 12.404 -6.681) 14.089 ======================= Grid point 611 (367/441) ======================= q-point: (-0.30 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -8.402 0.143 0.000) 8.403 5.661 ( -19.037 -0.908 0.000) 19.058 6.163 ( 31.679 -9.800 -0.000) 33.161 7.697 ( -16.414 -7.143 0.000) 17.901 8.016 ( -7.293 9.189 0.000) 11.731 8.893 ( -7.776 -29.098 -0.000) 30.119 9.595 ( 10.154 -5.223 -0.000) 11.418 11.612 ( -12.574 4.192 0.000) 13.254 11.924 ( 4.244 7.811 -0.000) 8.890 13.402 ( 4.909 -0.587 -0.000) 4.944 15.077 ( -14.853 -0.543 0.000) 14.863 15.427 ( -2.176 2.605 0.000) 3.394 17.318 ( 11.743 6.559 -0.000) 13.451 17.571 ( -10.292 2.289 0.000) 10.544 17.611 ( -6.961 -0.638 0.000) 6.990 ======================= Grid point 613 (368/441) ======================= q-point: (-0.38 -0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -4.823 -7.675 -23.626) 25.305 2.880 ( -17.701 -6.390 -20.787) 28.040 3.653 ( -3.097 -2.359 -12.168) 12.776 5.544 ( -7.919 -49.459 27.884) 57.327 6.757 ( -20.354 -11.832 7.945) 24.847 9.271 ( 10.730 9.892 -4.169) 15.178 9.692 ( -11.137 6.431 -2.686) 13.138 9.910 ( -0.010 -1.116 -0.737) 1.337 11.941 ( 7.415 -11.490 -0.882) 13.704 14.568 ( 4.171 -1.550 2.675) 5.192 15.774 ( 11.561 12.955 -7.633) 18.967 16.003 ( 2.031 10.983 1.873) 11.325 16.881 ( -4.405 19.727 -11.576) 23.293 17.837 ( -1.980 8.235 10.865) 13.776 19.025 ( 4.432 1.270 -3.819) 5.987 ======================= Grid point 617 (369/441) ======================= q-point: (-0.54 -0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -3.652 0.829 0.000) 3.744 3.929 ( -20.612 -1.415 0.000) 20.661 5.326 ( -39.441 -5.003 0.000) 39.757 7.814 ( -16.454 -31.457 0.000) 35.500 8.570 ( 2.893 -1.373 -0.000) 3.202 9.446 ( -17.059 11.666 0.000) 20.666 9.818 ( -20.287 -40.506 -0.000) 45.303 10.354 ( -9.763 15.686 0.000) 18.476 11.645 ( 21.113 -6.042 -0.000) 21.960 14.124 ( 8.665 1.795 -0.000) 8.849 14.818 ( 4.992 -10.170 -0.000) 11.329 15.598 ( 2.306 3.948 -0.000) 4.572 16.746 ( -2.768 19.240 0.000) 19.438 16.965 ( 5.739 6.370 -0.000) 8.573 18.329 ( 10.235 3.418 -0.000) 10.790 ======================= Grid point 624 (370/441) ======================= q-point: ( 0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 0.000 11.092 0.000) 11.092 2.660 ( 0.000 17.432 0.000) 17.432 3.052 ( 0.000 1.873 0.000) 1.873 8.021 ( 0.000 17.594 0.000) 17.594 8.255 ( -0.000 -19.493 -0.000) 19.493 8.801 ( 0.000 4.060 0.000) 4.060 9.221 ( -0.000 -10.436 -0.000) 10.436 10.981 ( -0.000 -15.826 -0.000) 15.826 11.723 ( 0.000 39.455 0.000) 39.455 14.915 ( -0.000 -4.574 -0.000) 4.574 14.977 ( -0.000 -0.127 -0.000) 0.127 15.699 ( 0.000 6.091 0.000) 6.091 15.884 ( -0.000 -12.441 -0.000) 12.441 16.909 ( 0.000 0.961 0.000) 0.961 18.376 ( 0.000 1.415 0.000) 1.415 ======================= Grid point 625 (371/441) ======================= q-point: (-0.31 -0.53 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -3.647 -0.858 -2.161) 4.325 4.151 ( -24.710 -2.568 0.751) 24.854 5.930 ( -38.192 -0.558 7.119) 38.854 6.530 ( -30.773 -15.651 -6.870) 35.201 8.249 ( 22.015 -0.945 2.597) 22.188 8.407 ( -13.555 -12.910 3.958) 19.133 9.959 ( 6.273 -9.441 -7.668) 13.685 10.480 ( -17.464 4.982 3.077) 18.419 11.769 ( -3.659 6.630 -5.154) 9.160 13.999 ( 8.769 -0.052 -2.568) 9.138 14.411 ( 1.901 -2.079 5.898) 6.536 15.933 ( 13.810 5.882 10.959) 18.586 16.961 ( -7.401 -1.660 -2.023) 7.850 17.809 ( 6.511 9.934 4.814) 12.816 18.139 ( 13.560 -2.583 1.981) 13.945 ======================= Grid point 631 (372/441) ======================= q-point: (-0.54 -0.29 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -1.356 2.555 -17.878) 18.110 3.212 ( -23.673 2.043 -7.719) 24.983 3.586 ( 1.148 3.819 10.157) 10.912 7.096 ( -4.633 -23.637 3.553) 24.348 7.880 ( -16.798 -46.777 -0.133) 49.702 8.904 ( 7.863 8.585 2.264) 11.859 9.490 ( -10.441 3.485 -3.953) 11.696 9.697 ( -1.651 5.549 6.104) 8.413 12.559 ( 7.470 -9.704 -4.599) 13.081 14.604 ( 5.788 -1.732 1.411) 6.204 15.289 ( -4.623 9.451 -2.028) 10.715 15.532 ( 11.436 9.672 4.023) 15.509 16.211 ( -13.134 11.711 -2.512) 17.775 17.496 ( 4.626 8.562 2.872) 10.147 18.826 ( 5.983 11.584 -5.411) 14.116 ======================= Grid point 636 (373/441) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( -4.934 0.000 0.000) 4.934 5.439 ( 25.794 -0.000 -0.000) 25.794 5.894 ( -3.604 0.000 0.000) 3.604 7.903 ( -10.607 0.000 0.000) 10.607 8.423 ( 1.573 -0.000 -0.000) 1.573 8.522 ( -11.592 0.000 0.000) 11.592 9.260 ( 18.905 -0.000 -0.000) 18.905 11.812 ( -3.235 0.000 0.000) 3.235 11.850 ( 11.138 -0.000 -0.000) 11.138 13.366 ( -1.798 0.000 0.000) 1.798 15.369 ( -14.963 0.000 0.000) 14.963 15.530 ( -4.655 0.000 0.000) 4.655 17.201 ( 9.311 -0.000 -0.000) 9.311 17.797 ( -9.970 0.000 0.000) 9.970 17.804 ( -14.980 0.000 0.000) 14.980 ======================= Grid point 638 (374/441) ======================= q-point: (-0.31 -0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -17.004 -8.078 -24.584) 30.963 2.985 ( -11.039 -8.919 -26.412) 29.984 3.919 ( -24.972 2.076 -3.878) 25.357 5.037 ( -18.810 -26.283 31.419) 45.075 7.063 ( -28.187 -6.448 11.798) 31.229 9.269 ( 11.925 10.986 -8.405) 18.263 9.828 ( -2.694 -9.156 -4.515) 10.558 9.992 ( -7.200 4.196 3.809) 9.162 11.617 ( 7.383 -3.941 -8.305) 11.791 14.433 ( 7.328 -0.668 -0.684) 7.390 15.545 ( 21.392 3.411 0.154) 21.663 16.349 ( -2.772 14.813 3.020) 15.370 16.991 ( 6.215 -2.913 -9.236) 11.507 18.204 ( -0.434 19.447 11.527) 22.611 18.842 ( 7.035 -7.705 3.078) 10.878 ======================= Grid point 642 (375/441) ======================= q-point: (-0.47 -0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( -3.475 -0.044 0.000) 3.475 4.310 ( -24.629 -4.701 0.000) 25.074 5.976 ( -37.084 -4.979 0.000) 37.417 7.545 ( -18.789 -27.011 0.000) 32.903 8.364 ( 12.747 -4.947 -0.000) 13.674 9.427 ( -17.517 -34.469 -0.000) 38.665 10.075 ( -22.775 10.263 0.000) 24.981 10.547 ( 3.212 -10.537 -0.000) 11.015 11.340 ( 7.020 12.702 -0.000) 14.512 13.976 ( 9.875 1.340 -0.000) 9.966 14.596 ( -2.258 -8.120 -0.000) 8.428 15.576 ( 8.840 4.958 -0.000) 10.135 17.009 ( -1.475 2.786 0.000) 3.152 17.166 ( -0.629 17.575 0.000) 17.586 18.122 ( 15.490 1.643 -0.000) 15.576 ======================= Grid point 649 (376/441) ======================= q-point: ( 0.30 -0.30 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -10.512 5.170 0.000) 11.715 3.014 ( -4.096 12.577 0.000) 13.227 3.218 ( -17.389 3.251 0.000) 17.690 7.939 ( -9.254 -20.049 -0.000) 22.082 8.396 ( -2.047 13.587 0.000) 13.741 8.842 ( -0.197 -0.361 0.000) 0.411 9.150 ( -5.422 1.500 0.000) 5.625 10.548 ( -5.909 -31.321 -0.000) 31.873 12.330 ( 6.362 24.535 0.000) 25.346 14.659 ( 10.357 -2.809 -0.000) 10.731 15.141 ( -11.475 -0.987 0.000) 11.517 15.601 ( 2.397 -11.890 -0.000) 12.129 15.887 ( -5.586 6.441 0.000) 8.526 17.008 ( 4.155 10.658 0.000) 11.440 18.435 ( 3.787 7.344 0.000) 8.263 ======================= Grid point 650 (377/441) ======================= q-point: (-0.24 -0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( -5.137 0.000 0.312) 5.146 4.659 ( -28.906 -0.000 4.948) 29.326 6.642 ( -33.486 -0.000 5.695) 33.967 6.859 ( -9.803 0.000 -24.037) 25.959 7.795 ( 12.462 -0.000 19.252) 22.934 8.466 ( -6.131 -0.000 1.835) 6.399 9.737 ( 6.036 0.000 -7.942) 9.975 10.924 ( -21.605 0.000 2.368) 21.735 11.938 ( -5.244 0.000 -2.477) 5.800 13.801 ( 11.316 -0.000 -0.372) 11.322 14.449 ( -7.403 0.000 -1.824) 7.624 15.753 ( 8.540 -0.000 16.011) 18.146 17.135 ( -10.158 0.000 -2.537) 10.470 17.733 ( 9.934 -0.000 2.352) 10.208 17.872 ( 11.011 -0.000 2.861) 11.377 ======================= Grid point 656 (378/441) ======================= q-point: (-0.47 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -6.011 0.890 -17.313) 18.348 3.599 ( -0.629 -0.441 -0.052) 0.771 3.791 ( -31.083 -0.364 -0.290) 31.086 6.481 ( -11.326 -47.197 9.013) 49.367 7.602 ( -33.035 -30.372 2.769) 44.961 8.907 ( 9.732 9.937 -2.031) 14.056 9.661 ( -1.594 6.216 2.027) 6.729 10.056 ( -12.762 6.319 -3.266) 14.610 12.108 ( 11.033 -13.063 -4.608) 17.709 14.463 ( 6.369 -0.596 0.827) 6.450 15.294 ( 20.705 6.366 0.429) 21.666 15.685 ( -4.392 12.283 2.926) 13.369 16.806 ( -10.151 18.981 -6.306) 22.430 17.499 ( 7.157 4.417 7.579) 11.322 18.853 ( 10.072 6.431 -2.241) 12.159 ======================= Grid point 663 (379/441) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -16.970 0.000 -22.226) 27.964 3.147 ( -17.005 0.000 -19.081) 25.559 4.587 ( -36.744 0.000 4.030) 36.965 5.197 ( -25.410 -0.000 23.843) 34.845 7.551 ( -27.193 -0.000 12.959) 30.123 9.127 ( 17.574 0.000 -8.555) 19.546 9.729 ( -1.565 0.000 -6.244) 6.437 10.171 ( -6.915 -0.000 4.792) 8.413 11.512 ( 0.436 0.000 -14.801) 14.807 14.256 ( 9.555 0.000 -3.785) 10.278 15.158 ( 20.083 -0.000 10.150) 22.502 16.635 ( -5.483 -0.000 1.414) 5.662 16.714 ( 11.436 -0.000 -1.918) 11.596 18.467 ( 7.359 -0.000 15.608) 17.256 18.482 ( 7.501 -0.000 0.371) 7.510 ======================= Grid point 667 (380/441) ======================= q-point: (-0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( -4.399 -0.844 0.000) 4.479 4.721 ( -27.490 -4.917 0.000) 27.926 6.561 ( -27.798 -1.678 0.000) 27.848 7.503 ( -20.523 -14.566 0.000) 25.167 7.852 ( 20.267 -12.208 -0.000) 23.660 9.086 ( -13.002 -28.690 -0.000) 31.499 10.096 ( 9.080 -13.517 -0.000) 16.284 10.722 ( -23.404 7.843 0.000) 24.684 11.656 ( -3.242 14.638 0.000) 14.992 13.783 ( 11.615 0.583 -0.000) 11.630 14.590 ( -10.302 -4.755 0.000) 11.346 15.484 ( 8.560 3.816 -0.000) 9.372 17.148 ( -7.763 1.685 0.000) 7.944 17.456 ( 1.501 11.176 0.000) 11.276 17.823 ( 17.092 1.671 -0.000) 17.173 ======================= Grid point 674 (381/441) ======================= q-point: (-0.63 -0.37 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( -3.525 2.121 0.000) 4.114 3.326 ( -7.521 6.929 0.000) 10.226 3.847 ( -35.590 1.123 0.000) 35.607 7.757 ( -15.228 -23.819 0.000) 28.271 8.575 ( 1.601 5.404 0.000) 5.636 8.833 ( -8.556 -7.019 0.000) 11.067 9.539 ( -12.656 15.767 0.000) 20.219 10.006 ( -9.563 -34.498 -0.000) 35.799 12.429 ( 14.344 5.313 -0.000) 15.297 14.441 ( 9.246 0.370 -0.000) 9.253 15.305 ( 6.705 -8.690 -0.000) 10.976 15.361 ( -9.547 1.908 0.000) 9.735 16.203 ( -7.793 11.862 0.000) 14.193 17.119 ( 8.362 11.401 -0.000) 14.139 18.506 ( 6.849 9.300 -0.000) 11.550 ======================= Grid point 678 (382/441) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 0.000 -23.922) 23.922 2.103 ( 0.000 0.000 -32.165) 32.165 2.840 ( 0.000 0.000 -40.920) 40.920 5.202 ( -0.000 -0.000 42.897) 42.897 6.472 ( -0.000 -0.000 7.402) 7.402 9.367 ( 0.000 0.000 -20.159) 20.159 9.613 ( -0.000 -0.000 0.091) 0.091 10.030 ( -0.000 -0.000 9.136) 9.136 11.901 ( -0.000 -0.000 6.657) 6.657 14.674 ( -0.000 -0.000 7.027) 7.027 15.960 ( 0.000 0.000 -10.743) 10.743 16.548 ( -0.000 -0.000 4.467) 4.467 16.918 ( 0.000 0.000 -9.815) 9.815 18.657 ( -0.000 -0.000 4.969) 4.969 18.692 ( 0.000 0.000 -1.700) 1.700 ======================= Grid point 682 (383/441) ======================= q-point: (-0.41 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -7.560 0.228 -12.530) 14.636 3.601 ( -4.516 -2.512 -6.614) 8.394 4.436 ( -36.840 -2.092 3.288) 37.045 5.894 ( -27.040 -43.353 11.274) 52.324 7.752 ( -31.672 -19.859 4.505) 37.654 8.907 ( 12.834 10.273 -4.940) 17.166 9.874 ( -4.943 7.951 1.813) 9.536 10.248 ( -7.181 -8.640 -1.844) 11.385 11.746 ( 7.345 -1.674 -8.954) 11.702 14.319 ( 7.343 -0.454 -0.801) 7.400 14.933 ( 22.291 1.768 6.020) 23.157 16.020 ( -0.488 14.476 2.730) 14.739 17.064 ( 6.578 -0.574 -8.041) 10.405 17.619 ( -0.342 16.666 11.349) 20.167 18.694 ( 11.971 -0.361 0.857) 12.007 ======================= Grid point 693 (384/441) ======================= q-point: (-0.33 -0.67 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -6.895 -0.753 0.000) 6.936 5.194 ( -27.178 -2.097 0.000) 27.259 6.758 ( 22.490 0.837 -0.000) 22.506 7.350 ( -13.533 -13.304 0.000) 18.977 7.756 ( -19.382 0.385 0.000) 19.386 8.759 ( -6.198 -21.993 -0.000) 22.849 9.746 ( 6.432 -5.967 -0.000) 8.773 11.283 ( -20.201 4.223 0.000) 20.638 11.947 ( -1.535 7.908 0.000) 8.055 13.561 ( 10.679 -0.087 -0.000) 10.680 14.782 ( -14.826 -1.546 0.000) 14.906 15.429 ( 2.823 2.184 -0.000) 3.569 17.365 ( -10.514 1.362 0.000) 10.602 17.548 ( 5.793 2.589 -0.000) 6.345 17.580 ( 9.177 3.580 -0.000) 9.850 ======================= Grid point 696 (385/441) ======================= q-point: (-0.41 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.000 -11.281 -24.509) 26.981 2.678 ( 0.000 -2.033 -20.536) 20.636 3.635 ( 0.000 -4.343 -16.628) 17.186 5.469 ( -0.000 -52.105 29.803) 60.027 6.543 ( -0.000 -10.148 6.403) 11.999 9.454 ( 0.000 7.575 -0.087) 7.576 9.501 ( 0.000 8.581 -7.488) 11.389 9.915 ( -0.000 -0.792 0.631) 1.013 12.017 ( -0.000 -11.976 2.930) 12.330 14.610 ( -0.000 -1.958 4.352) 4.772 15.854 ( 0.000 20.469 -3.536) 20.772 16.082 ( 0.000 2.361 -7.247) 7.622 16.815 ( 0.000 27.302 -10.198) 29.144 17.813 ( -0.000 5.491 8.861) 10.425 19.071 ( 0.000 1.129 -5.423) 5.540 ======================= Grid point 700 (386/441) ======================= q-point: (-0.57 -0.43 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( -3.179 1.539 0.000) 3.532 3.606 ( -12.174 1.835 0.000) 12.312 4.558 ( -38.072 -3.162 0.000) 38.203 7.484 ( -16.211 -33.199 -0.000) 36.945 8.626 ( 3.313 4.438 -0.000) 5.538 8.938 ( -30.455 -22.412 0.000) 37.812 9.622 ( -3.366 -12.166 -0.000) 12.623 10.134 ( -12.613 15.103 0.000) 19.677 12.052 ( 19.504 -6.531 -0.000) 20.569 14.292 ( 8.473 1.613 -0.000) 8.625 14.972 ( 10.440 -7.185 -0.000) 12.674 15.577 ( -4.254 5.330 0.000) 6.819 16.661 ( -6.385 18.253 0.000) 19.338 17.126 ( 9.926 7.020 -0.000) 12.157 18.518 ( 9.473 6.962 -0.000) 11.756 ======================= Grid point 708 (387/441) ======================= q-point: (-0.34 -0.50 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -4.070 -0.631 -6.804) 7.954 3.746 ( -15.751 -2.161 -6.630) 17.225 5.160 ( -39.174 -0.539 7.313) 39.854 5.852 ( -36.861 -22.359 4.963) 43.397 7.993 ( -24.334 -10.943 4.878) 27.123 8.733 ( 22.301 4.795 -2.630) 22.962 10.019 ( -0.898 -9.131 -6.271) 11.113 10.213 ( -9.504 3.248 3.756) 10.723 11.735 ( 0.014 4.632 -9.624) 10.681 14.157 ( 7.884 -0.463 -3.191) 8.518 14.569 ( 14.240 -0.594 10.129) 17.485 16.208 ( 12.129 11.514 5.653) 17.653 16.862 ( -1.489 -6.774 -1.096) 7.022 17.922 ( 4.711 13.951 5.800) 15.826 18.393 ( 12.184 -4.872 1.829) 13.248 ======================= Grid point 714 (388/441) ======================= q-point: (-0.57 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 0.000 3.243 -21.469) 21.713 2.916 ( 0.000 2.752 -6.636) 7.184 3.600 ( -0.000 4.320 11.450) 12.237 7.057 ( -0.000 -18.227 2.448) 18.391 7.703 ( -0.000 -55.101 1.273) 55.115 9.018 ( 0.000 13.721 -0.342) 13.725 9.342 ( 0.000 2.955 -2.145) 3.651 9.690 ( -0.000 2.836 7.360) 7.888 12.633 ( -0.000 -10.386 -4.330) 11.252 14.668 ( -0.000 -3.563 1.789) 3.987 15.228 ( 0.000 11.880 -1.445) 11.968 15.704 ( 0.000 18.713 2.857) 18.930 16.028 ( 0.000 4.730 -2.862) 5.529 17.543 ( 0.000 8.513 2.244) 8.804 18.888 ( 0.000 11.909 -6.158) 13.407 ======================= Grid point 719 (389/441) ======================= q-point: (-0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -9.142 0.000 0.000) 9.142 5.652 ( -19.688 0.000 0.000) 19.688 6.062 ( 35.498 -0.000 -0.000) 35.498 7.620 ( -17.953 0.000 0.000) 17.953 8.223 ( -18.849 0.000 0.000) 18.849 8.479 ( 3.096 -0.000 -0.000) 3.096 9.543 ( 9.947 -0.000 -0.000) 9.947 11.656 ( -12.598 0.000 0.000) 12.598 12.004 ( 4.419 -0.000 -0.000) 4.419 13.396 ( 5.122 -0.000 -0.000) 5.122 15.071 ( -15.319 0.000 0.000) 15.319 15.455 ( -2.514 0.000 0.000) 2.514 17.397 ( 10.616 -0.000 -0.000) 10.616 17.593 ( -5.891 0.000 0.000) 5.891 17.593 ( -10.728 0.000 0.000) 10.728 ======================= Grid point 721 (390/441) ======================= q-point: (-0.34 -0.32 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1327 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -12.735 -17.362 -26.040) 33.789 2.762 ( -10.641 -4.112 -24.902) 27.391 3.601 ( -7.998 -2.318 -19.019) 20.762 4.757 ( -9.470 -25.538 37.601) 46.430 6.582 ( -18.893 -5.620 9.101) 21.711 9.463 ( 7.892 8.701 -5.508) 12.974 9.741 ( -6.111 -2.889 -6.643) 9.477 9.904 ( -1.502 1.737 3.437) 4.134 11.760 ( 6.164 -5.984 1.915) 8.801 14.543 ( 3.718 -0.874 2.855) 4.768 15.931 ( 16.370 3.615 -7.117) 18.213 16.295 ( -2.647 15.209 2.572) 15.650 17.095 ( 3.956 0.598 -11.318) 12.004 18.157 ( -3.619 22.665 9.635) 24.893 18.949 ( 3.748 -9.155 -0.373) 9.900 ======================= Grid point 725 (391/441) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -2.874 0.672 0.000) 2.951 3.891 ( -17.410 -2.148 0.000) 17.542 5.225 ( -38.429 -4.668 0.000) 38.712 7.134 ( -22.189 -35.164 0.000) 41.580 8.586 ( 9.787 2.637 -0.000) 10.136 8.940 ( -31.282 -36.687 0.000) 48.213 9.771 ( -8.566 12.723 0.000) 15.338 10.510 ( -6.265 -1.561 0.000) 6.457 11.583 ( 16.108 1.774 -0.000) 16.205 14.158 ( 8.615 1.421 -0.000) 8.731 14.638 ( 7.067 -7.182 -0.000) 10.076 15.717 ( 4.478 7.810 -0.000) 9.003 17.044 ( 5.367 1.128 -0.000) 5.484 17.143 ( -2.245 19.387 0.000) 19.517 18.399 ( 12.923 2.964 -0.000) 13.259 ======================= Grid point 732 (392/441) ======================= q-point: ( 0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.000 8.178 0.000) 8.178 2.976 ( 0.000 13.521 0.000) 13.521 3.088 ( 0.000 1.963 0.000) 1.963 7.846 ( -0.000 -20.374 -0.000) 20.374 8.379 ( 0.000 17.259 0.000) 17.259 8.839 ( -0.000 -1.586 -0.000) 1.586 9.092 ( -0.000 -1.667 -0.000) 1.667 10.490 ( -0.000 -31.120 -0.000) 31.120 12.394 ( 0.000 25.513 0.000) 25.513 14.822 ( -0.000 -4.515 -0.000) 4.515 14.964 ( 0.000 0.584 0.000) 0.584 15.627 ( -0.000 -11.622 -0.000) 11.622 15.824 ( 0.000 6.070 0.000) 6.070 17.050 ( 0.000 11.129 0.000) 11.129 18.478 ( 0.000 8.334 0.000) 8.334 ======================= Grid point 733 (393/441) ======================= q-point: (-0.27 -0.56 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( -3.605 0.000 -2.771) 4.547 4.123 ( -24.512 0.000 0.761) 24.524 5.927 ( -38.435 -0.000 7.713) 39.201 6.363 ( -34.396 0.000 -7.358) 35.174 8.252 ( 27.797 -0.000 4.981) 28.240 8.263 ( -14.801 -0.000 3.465) 15.201 9.859 ( 5.364 0.000 -9.186) 10.637 10.532 ( -17.400 0.000 2.944) 17.648 11.837 ( -4.251 0.000 -5.311) 6.803 13.998 ( 8.401 0.000 -3.175) 8.981 14.390 ( 2.508 -0.000 6.759) 7.209 15.999 ( 16.056 -0.000 11.769) 19.907 16.939 ( -9.594 0.000 -1.239) 9.673 17.936 ( 10.044 -0.000 4.044) 10.828 18.089 ( 10.887 -0.000 1.778) 11.031 ======================= Grid point 739 (394/441) ======================= q-point: (-0.50 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -1.047 0.747 -19.992) 20.033 3.230 ( -21.555 -0.409 -10.294) 23.891 3.651 ( 1.728 2.507 8.597) 9.120 6.366 ( -0.106 -53.719 8.041) 54.318 7.018 ( -25.083 -27.553 3.314) 37.407 9.110 ( 10.663 10.839 -1.421) 15.271 9.593 ( -6.520 6.180 -3.038) 9.483 9.849 ( -6.735 6.734 3.171) 10.038 12.270 ( 5.445 -16.708 -2.200) 17.710 14.564 ( 3.676 -2.054 1.601) 4.505 15.547 ( -1.059 15.138 -2.324) 15.352 15.772 ( 19.150 11.760 1.522) 22.524 16.546 ( -15.853 22.216 -3.969) 27.579 17.615 ( 4.243 2.972 4.171) 6.651 19.021 ( 6.469 6.931 -4.188) 10.365 ======================= Grid point 746 (395/441) ======================= q-point: (-0.27 -0.39 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -22.318 0.000 -27.310) 35.269 2.894 ( -9.665 0.000 -27.087) 28.760 3.945 ( -26.964 0.000 -6.457) 27.727 4.764 ( -17.864 -0.000 35.592) 39.824 6.998 ( -27.700 -0.000 12.606) 30.433 9.427 ( 12.636 0.000 -11.873) 17.339 9.682 ( -2.699 0.000 -1.627) 3.152 10.038 ( -6.499 -0.000 4.546) 7.931 11.578 ( 5.663 0.000 -8.339) 10.080 14.426 ( 7.289 -0.000 -0.711) 7.324 15.580 ( 21.781 -0.000 0.094) 21.781 16.544 ( -3.744 -0.000 2.706) 4.619 16.915 ( 8.816 0.000 -6.914) 11.204 18.568 ( 2.725 -0.000 14.822) 15.070 18.610 ( 5.420 -0.000 -0.571) 5.450 ======================= Grid point 750 (396/441) ======================= q-point: (-0.43 -0.57 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -2.832 -0.429 0.000) 2.864 4.217 ( -22.831 -4.247 0.000) 23.223 5.897 ( -37.412 -2.744 0.000) 37.512 7.015 ( -28.505 -24.273 0.000) 37.440 8.281 ( 21.453 -3.350 -0.000) 21.713 8.779 ( -19.205 -26.777 0.000) 32.953 10.269 ( 7.265 -14.028 -0.000) 15.797 10.295 ( -18.830 9.682 0.000) 21.174 11.619 ( 0.562 12.617 0.000) 12.629 14.000 ( 10.123 0.981 -0.000) 10.170 14.454 ( -2.552 -5.657 -0.000) 6.206 15.696 ( 12.190 6.463 -0.000) 13.797 17.024 ( -4.295 -1.141 0.000) 4.444 17.499 ( 2.354 14.904 0.000) 15.089 18.145 ( 15.441 0.215 -0.000) 15.442 ======================= Grid point 757 (397/441) ======================= q-point: (-0.66 -0.34 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -6.247 3.700 0.000) 7.261 3.234 ( -2.398 9.040 0.000) 9.353 3.286 ( -18.478 3.191 0.000) 18.752 7.517 ( -8.606 -21.194 -0.000) 22.875 8.646 ( 5.096 11.399 0.000) 12.486 8.677 ( -6.396 -20.916 -0.000) 21.872 9.293 ( -11.435 11.485 0.000) 16.207 9.886 ( -3.220 -27.333 -0.000) 27.522 12.652 ( 7.933 6.538 -0.000) 10.280 14.621 ( 8.656 -1.277 -0.000) 8.749 15.163 ( -9.788 3.795 0.000) 10.498 15.424 ( 5.156 -3.658 -0.000) 6.322 16.037 ( -7.990 8.181 0.000) 11.435 17.253 ( 4.863 12.180 0.000) 13.115 18.636 ( 5.570 11.651 0.000) 12.914 ======================= Grid point 765 (398/441) ======================= q-point: (-0.43 -0.40 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -6.859 -0.562 -20.568) 21.689 3.548 ( -6.340 -4.494 -11.763) 14.098 3.801 ( -22.755 1.427 6.877) 23.814 5.427 ( -19.383 -51.905 14.748) 57.335 7.137 ( -29.599 -16.453 4.890) 34.215 9.134 ( 10.509 11.900 -3.544) 16.267 9.799 ( -3.194 6.592 2.466) 7.729 10.081 ( -9.007 -3.809 -3.797) 10.490 11.870 ( 5.014 -9.363 -4.486) 11.530 14.446 ( 5.357 -0.945 0.683) 5.483 15.433 ( 26.886 6.401 0.590) 27.644 15.976 ( -3.169 15.826 2.241) 16.296 17.150 ( 0.740 9.966 -12.042) 15.649 17.616 ( 0.667 11.392 13.533) 17.702 18.916 ( 10.307 -0.686 -0.782) 10.359 ======================= Grid point 776 (399/441) ======================= q-point: (-0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -4.236 -0.829 0.000) 4.316 4.641 ( -27.751 -2.791 0.000) 27.891 6.565 ( -30.957 1.518 0.000) 30.995 7.266 ( -29.858 -8.292 0.000) 30.988 7.624 ( 30.186 -9.268 -0.000) 31.577 8.617 ( -9.128 -16.233 0.000) 18.624 9.883 ( 7.777 -7.059 -0.000) 10.503 10.854 ( -22.307 4.611 0.000) 22.778 11.884 ( -4.114 7.555 0.000) 8.603 13.794 ( 12.159 0.383 -0.000) 12.165 14.515 ( -11.540 -2.516 0.000) 11.811 15.553 ( 10.057 2.705 -0.000) 10.414 17.161 ( -9.977 0.005 0.000) 9.977 17.640 ( 5.988 6.667 -0.000) 8.961 17.845 ( 14.238 0.368 -0.000) 14.243 ======================= Grid point 783 (400/441) ======================= q-point: (-0.60 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -2.657 2.334 0.000) 3.536 3.441 ( -5.026 4.424 0.000) 6.695 3.853 ( -32.475 -0.490 0.000) 32.479 7.209 ( -11.057 -31.283 -0.000) 33.179 8.351 ( -27.872 -38.641 0.000) 47.644 8.719 ( 6.498 8.813 -0.000) 10.949 9.596 ( -0.111 -4.521 -0.000) 4.523 9.860 ( -14.925 14.488 0.000) 20.800 12.388 ( 14.175 -8.336 -0.000) 16.445 14.454 ( 7.853 0.505 -0.000) 7.869 15.215 ( 13.799 0.124 -0.000) 13.799 15.452 ( -7.626 7.259 0.000) 10.528 16.486 ( -11.313 16.081 0.000) 19.662 17.322 ( 9.273 7.884 -0.000) 12.172 18.709 ( 9.695 9.791 -0.000) 13.779 ======================= Grid point 791 (401/441) ======================= q-point: (-0.37 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -7.436 -0.136 -15.584) 17.268 3.540 ( -5.659 -3.098 -14.090) 15.497 4.419 ( -35.185 0.773 7.215) 35.925 5.127 ( -35.427 -29.282 15.911) 48.638 7.459 ( -28.985 -9.245 6.348) 31.079 9.121 ( 16.737 10.024 -4.871) 20.108 9.951 ( -4.274 -5.348 -3.493) 7.686 10.071 ( -6.295 -1.959 3.261) 7.355 11.745 ( 0.353 0.781 -10.236) 10.272 14.309 ( 7.208 -0.411 -1.437) 7.362 14.971 ( 26.074 1.570 7.126) 27.076 16.338 ( 0.957 16.148 2.101) 16.312 16.943 ( 9.052 -10.088 -2.653) 13.811 17.990 ( 2.199 18.077 7.448) 19.674 18.619 ( 10.748 -6.964 1.411) 12.885 ======================= Grid point 802 (402/441) ======================= q-point: (-0.29 -0.71 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( -7.096 0.000 0.000) 7.096 5.172 ( -27.745 0.000 0.000) 27.745 6.788 ( 37.566 -0.000 -0.000) 37.566 7.189 ( -26.136 0.000 0.000) 26.136 7.777 ( -26.513 0.000 0.000) 26.513 8.513 ( -0.244 0.000 0.000) 0.244 9.686 ( 5.884 -0.000 -0.000) 5.884 11.327 ( -20.113 0.000 0.000) 20.113 12.028 ( -1.613 0.000 0.000) 1.613 13.560 ( 10.969 -0.000 -0.000) 10.969 14.766 ( -15.378 0.000 0.000) 15.378 15.452 ( 2.798 -0.000 -0.000) 2.798 17.378 ( -11.099 0.000 0.000) 11.099 17.576 ( 3.840 -0.000 -0.000) 3.840 17.615 ( 11.436 -0.000 -0.000) 11.436 ======================= Grid point 805 (403/441) ======================= q-point: (-0.37 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 711 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 -22.658 -25.619) 34.202 2.642 ( 0.000 -1.350 -23.465) 23.504 3.536 ( 0.000 -4.532 -26.104) 26.495 4.664 ( -0.000 -25.066 39.522) 46.801 6.385 ( -0.000 -5.259 7.259) 8.964 9.571 ( 0.000 3.858 0.047) 3.858 9.642 ( 0.000 4.484 -10.657) 11.562 9.896 ( -0.000 -0.478 2.132) 2.185 11.826 ( -0.000 -6.474 6.938) 9.490 14.579 ( -0.000 -1.030 4.467) 4.584 16.119 ( 0.000 1.239 -7.645) 7.745 16.254 ( 0.000 17.541 1.091) 17.575 17.136 ( 0.000 2.289 -11.817) 12.036 18.110 ( 0.000 24.225 7.495) 25.358 18.987 ( -0.000 -9.834 -2.036) 10.042 ======================= Grid point 809 (404/441) ======================= q-point: (-0.53 -0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -2.263 1.654 0.000) 2.803 3.631 ( -9.240 0.797 0.000) 9.274 4.486 ( -36.148 -3.804 0.000) 36.348 6.710 ( -19.809 -42.847 -0.000) 47.205 8.266 ( -35.693 -33.386 0.000) 48.873 8.759 ( 8.229 8.353 -0.000) 11.725 9.673 ( -2.605 8.660 0.000) 9.043 10.334 ( -11.077 3.447 0.000) 11.601 11.904 ( 15.120 -6.360 -0.000) 16.403 14.318 ( 7.625 0.784 -0.000) 7.665 14.880 ( 17.248 -1.950 -0.000) 17.358 15.737 ( -2.200 10.367 0.000) 10.598 17.058 ( -6.760 20.566 0.000) 21.648 17.210 ( 10.610 0.917 -0.000) 10.650 18.643 ( 12.086 4.693 -0.000) 12.965 ======================= Grid point 817 (405/441) ======================= q-point: (-0.30 -0.53 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -3.845 0.000 -8.105) 8.971 3.722 ( -15.792 0.000 -7.597) 17.524 5.161 ( -38.464 -0.000 9.201) 39.549 5.609 ( -40.989 0.000 4.655) 41.252 7.883 ( -23.484 -0.000 5.611) 24.145 8.789 ( 25.808 -0.000 -1.472) 25.850 9.906 ( -1.108 0.000 -7.559) 7.640 10.256 ( -10.674 -0.000 3.396) 11.202 11.783 ( -1.464 0.000 -9.855) 9.964 14.152 ( 7.906 0.000 -3.681) 8.721 14.564 ( 15.162 -0.000 10.992) 18.727 16.357 ( 19.440 -0.000 6.047) 20.359 16.762 ( -8.332 0.000 -0.127) 8.333 18.114 ( 7.971 -0.000 5.890) 9.911 18.296 ( 9.961 -0.000 0.916) 10.003 ======================= Grid point 823 (406/441) ======================= q-point: (-0.53 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.000 -0.115 -23.239) 23.240 2.958 ( 0.000 1.400 -9.178) 9.285 3.671 ( -0.000 2.606 9.568) 9.916 6.418 ( -0.000 -67.315 7.334) 67.713 6.713 ( -0.000 -15.267 3.283) 15.616 9.269 ( 0.000 10.813 -0.171) 10.814 9.464 ( 0.000 7.719 -8.078) 11.173 9.793 ( -0.000 5.498 7.994) 9.702 12.324 ( -0.000 -17.974 -1.162) 18.011 14.601 ( -0.000 -2.912 2.009) 3.538 15.521 ( 0.000 16.293 -1.045) 16.326 16.116 ( 0.000 3.867 -3.431) 5.170 16.248 ( 0.000 33.551 -1.438) 33.582 17.658 ( -0.000 2.569 2.988) 3.940 19.088 ( 0.000 7.031 -4.955) 8.602 ======================= Grid point 830 (407/441) ======================= q-point: (-0.30 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 721 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -18.884 0.000 -26.973) 32.927 2.722 ( -8.053 0.000 -26.263) 27.470 3.575 ( -10.470 0.000 -21.585) 23.990 4.505 ( -8.512 -0.000 40.468) 41.353 6.524 ( -18.592 -0.000 9.565) 20.908 9.618 ( 6.560 0.000 -13.538) 15.044 9.633 ( -2.046 0.000 0.089) 2.048 9.933 ( -3.785 -0.000 4.684) 6.022 11.699 ( 5.531 -0.000 2.765) 6.183 14.534 ( 3.589 -0.000 2.911) 4.621 15.964 ( 15.697 0.000 -6.862) 17.131 16.488 ( -1.895 -0.000 3.539) 4.014 17.053 ( 4.885 0.000 -9.048) 10.283 18.578 ( -1.111 -0.000 9.548) 9.613 18.692 ( 2.848 0.000 -1.174) 3.081 ======================= Grid point 834 (408/441) ======================= q-point: (-0.46 -0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -1.787 0.548 0.000) 1.869 3.847 ( -14.387 -2.025 0.000) 14.529 5.141 ( -38.510 -3.519 0.000) 38.670 6.408 ( -32.313 -34.540 0.000) 47.299 8.312 ( -27.940 -24.337 0.000) 37.053 8.664 ( 17.144 4.656 -0.000) 17.765 10.006 ( -10.575 9.939 0.000) 14.513 10.338 ( -0.549 -12.596 -0.000) 12.608 11.697 ( 6.726 7.508 -0.000) 10.080 14.179 ( 8.147 0.706 -0.000) 8.177 14.525 ( 10.535 -4.014 -0.000) 11.274 15.913 ( 8.372 11.123 -0.000) 13.921 17.007 ( 3.386 -4.616 -0.000) 5.724 17.528 ( 0.147 18.116 0.000) 18.117 18.430 ( 13.658 -0.327 -0.000) 13.662 ======================= Grid point 841 (409/441) ======================= q-point: (-0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 0.000 5.801 0.000) 5.801 3.137 ( 0.000 2.790 0.000) 2.790 3.213 ( 0.000 9.729 0.000) 9.729 7.431 ( -0.000 -20.127 -0.000) 20.127 8.610 ( -0.000 -26.137 -0.000) 26.137 8.718 ( 0.000 15.874 0.000) 15.874 9.157 ( 0.000 7.650 0.000) 7.650 9.857 ( -0.000 -24.673 -0.000) 24.673 12.732 ( 0.000 6.854 0.000) 6.854 14.733 ( -0.000 -4.218 -0.000) 4.218 15.038 ( 0.000 6.856 0.000) 6.856 15.483 ( -0.000 -0.267 -0.000) 0.267 15.944 ( 0.000 5.715 0.000) 5.715 17.302 ( 0.000 12.409 0.000) 12.409 18.696 ( 0.000 12.305 0.000) 12.305 ======================= Grid point 849 (410/441) ======================= q-point: (-0.46 -0.37 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -2.897 -3.988 -24.313) 24.807 3.194 ( -18.984 -2.978 -12.843) 23.113 3.692 ( 1.202 1.632 8.305) 8.549 5.155 ( -8.206 -57.944 13.401) 60.036 6.641 ( -19.132 -12.994 4.433) 23.548 9.328 ( 9.186 10.295 -2.170) 13.967 9.721 ( -5.404 5.966 -0.745) 8.083 9.929 ( -5.404 0.841 -0.855) 5.536 11.942 ( 2.404 -14.259 0.309) 14.463 14.525 ( 2.617 -1.701 1.747) 3.577 15.872 ( 6.242 14.865 -3.015) 16.402 15.972 ( 12.665 9.077 1.132) 15.623 17.083 ( -6.368 26.086 -9.888) 28.615 17.645 ( 1.668 2.843 9.487) 10.043 19.085 ( 6.438 -1.122 -2.448) 6.978 ======================= Grid point 860 (411/441) ======================= q-point: (-0.39 -0.61 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -2.053 -0.372 0.000) 2.087 4.145 ( -21.628 -2.561 0.000) 21.779 5.861 ( -38.741 -0.953 0.000) 38.753 6.598 ( -37.591 -15.304 0.000) 40.587 8.225 ( 29.444 -2.034 -0.000) 29.514 8.367 ( -16.874 -13.417 0.000) 21.559 10.033 ( 6.263 -8.331 -0.000) 10.423 10.449 ( -17.905 5.242 0.000) 18.657 11.821 ( -1.510 6.783 0.000) 6.949 14.015 ( 10.058 0.492 -0.000) 10.070 14.367 ( -2.323 -2.853 0.000) 3.679 15.821 ( 16.464 5.131 -0.000) 17.245 16.981 ( -8.042 -2.444 0.000) 8.405 17.765 ( 6.213 10.823 -0.000) 12.480 18.122 ( 13.648 -2.522 -0.000) 13.880 ======================= Grid point 867 (412/441) ======================= q-point: (-0.62 -0.38 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -4.391 3.112 0.000) 5.382 3.342 ( -17.201 2.220 0.000) 17.344 3.385 ( -1.255 5.759 0.000) 5.895 7.063 ( -3.818 -24.694 -0.000) 24.988 7.887 ( -18.012 -51.375 -0.000) 54.442 8.882 ( 9.562 11.832 -0.000) 15.212 9.563 ( -14.494 13.701 0.000) 19.945 9.601 ( 0.394 -3.029 -0.000) 3.054 12.601 ( 7.274 -10.578 -0.000) 12.838 14.591 ( 5.590 -1.817 -0.000) 5.878 15.307 ( -6.368 10.154 0.000) 11.985 15.494 ( 13.900 10.187 -0.000) 17.234 16.235 ( -13.245 12.068 0.000) 17.918 17.469 ( 5.243 8.373 -0.000) 9.879 18.877 ( 6.667 11.142 -0.000) 12.985 ======================= Grid point 875 (413/441) ======================= q-point: (-0.40 -0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -11.983 -3.596 -25.707) 28.590 3.433 ( -9.886 -5.763 -21.023) 23.935 3.855 ( -17.845 4.180 10.803) 21.274 4.521 ( -24.396 -33.833 23.201) 47.730 6.895 ( -27.085 -7.662 6.335) 28.851 9.384 ( 9.915 12.420 -4.211) 16.440 9.890 ( -1.662 -3.074 -1.190) 3.691 9.944 ( -6.378 -3.515 0.486) 7.299 11.738 ( -0.898 -3.749 -4.762) 6.127 14.429 ( 4.826 -0.637 0.651) 4.912 15.536 ( 29.079 3.447 0.635) 29.289 16.305 ( -2.909 15.371 1.706) 15.736 17.141 ( 9.410 -7.187 -6.511) 13.513 18.009 ( -0.176 22.877 8.612) 24.445 18.814 ( 8.932 -9.267 0.554) 12.882 ======================= Grid point 886 (414/441) ======================= q-point: (-0.32 -0.68 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -4.085 0.000 0.000) 4.085 4.612 ( -27.927 0.000 0.000) 27.927 6.589 ( -34.544 0.000 0.000) 34.544 7.179 ( -34.165 0.000 0.000) 34.165 7.520 ( 36.289 -0.000 -0.000) 36.289 8.449 ( -6.711 0.000 0.000) 6.711 9.811 ( 7.129 -0.000 -0.000) 7.129 10.902 ( -22.011 0.000 0.000) 22.011 11.962 ( -4.391 0.000 0.000) 4.391 13.798 ( 12.322 -0.000 -0.000) 12.322 14.489 ( -11.938 0.000 0.000) 11.938 15.583 ( 10.784 -0.000 -0.000) 10.784 17.160 ( -10.940 0.000 0.000) 10.940 17.713 ( 9.100 -0.000 -0.000) 9.100 17.844 ( 11.703 -0.000 -0.000) 11.703 ======================= Grid point 893 (415/441) ======================= q-point: (-0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -1.941 2.480 0.000) 3.150 3.511 ( -3.571 2.524 0.000) 4.373 3.829 ( -29.659 -1.887 0.000) 29.719 6.395 ( -11.175 -49.435 -0.000) 50.682 7.578 ( -33.384 -31.630 0.000) 45.989 8.927 ( 9.157 11.244 -0.000) 14.501 9.641 ( -0.933 5.847 0.000) 5.921 10.087 ( -13.741 6.830 0.000) 15.345 12.151 ( 9.762 -13.198 -0.000) 16.416 14.454 ( 6.073 -0.508 -0.000) 6.094 15.290 ( 23.346 6.246 -0.000) 24.167 15.657 ( -5.077 12.613 0.000) 13.597 16.871 ( -12.188 21.928 0.000) 25.087 17.421 ( 9.895 1.466 -0.000) 10.003 18.875 ( 11.124 5.807 -0.000) 12.548 ======================= Grid point 901 (416/441) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -7.660 0.000 -17.462) 19.068 3.502 ( -7.207 0.000 -18.115) 19.496 4.449 ( -32.671 -0.000 9.872) 34.129 4.797 ( -39.921 -0.000 18.273) 43.904 7.365 ( -28.140 -0.000 7.017) 29.002 9.249 ( 20.651 0.000 -4.554) 21.147 9.830 ( -5.705 0.000 -4.509) 7.272 10.089 ( -7.029 -0.000 3.894) 8.036 11.755 ( -1.927 0.000 -10.582) 10.756 14.305 ( 7.168 0.000 -1.630) 7.351 14.988 ( 27.316 -0.000 7.466) 28.318 16.614 ( -6.599 0.000 0.826) 6.650 16.728 ( 17.416 -0.000 0.082) 17.416 18.250 ( 5.987 -0.000 7.768) 9.807 18.477 ( 8.315 -0.000 0.213) 8.317 ======================= Grid point 915 (417/441) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 0.000 -25.744) 25.744 2.628 ( 0.000 0.000 -24.538) 24.538 3.485 ( 0.000 0.000 -28.904) 28.904 4.422 ( -0.000 -0.000 41.375) 41.375 6.331 ( -0.000 -0.000 7.576) 7.576 9.611 ( -0.000 -0.000 0.092) 0.092 9.682 ( 0.000 0.000 -14.043) 14.043 9.896 ( -0.000 -0.000 5.236) 5.236 11.759 ( -0.000 -0.000 8.272) 8.272 14.568 ( -0.000 -0.000 4.499) 4.499 16.132 ( 0.000 0.000 -7.773) 7.773 16.470 ( -0.000 -0.000 3.826) 3.826 17.101 ( 0.000 0.000 -9.624) 9.624 18.560 ( -0.000 -0.000 5.393) 5.393 18.721 ( 0.000 0.000 -1.381) 1.381 ======================= Grid point 919 (418/441) ======================= q-point: (-0.49 -0.51 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -1.204 1.661 0.000) 2.051 3.646 ( -6.645 0.893 0.000) 6.704 4.408 ( -35.261 -3.627 0.000) 35.447 5.782 ( -29.963 -45.688 0.000) 54.637 7.710 ( -32.123 -20.919 0.000) 38.334 8.954 ( 12.442 10.396 -0.000) 16.213 9.856 ( -5.367 8.416 0.000) 9.982 10.265 ( -6.106 -9.196 0.000) 11.039 11.833 ( 5.857 -0.711 -0.000) 5.900 14.325 ( 6.639 -0.008 -0.000) 6.639 14.875 ( 24.361 0.962 -0.000) 24.380 15.994 ( 0.160 14.594 0.000) 14.595 17.157 ( 10.791 -6.115 -0.000) 12.403 17.493 ( -3.889 21.712 0.000) 22.058 18.688 ( 12.608 -0.710 -0.000) 12.628 ======================= Grid point 934 (419/441) ======================= q-point: (-0.49 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.000 -8.583 -26.942) 28.276 2.977 ( 0.000 0.543 -11.450) 11.463 3.708 ( -0.000 1.057 9.703) 9.760 5.081 ( -0.000 -60.175 11.375) 61.241 6.443 ( -0.000 -11.030 4.142) 11.782 9.456 ( 0.000 7.447 -0.045) 7.447 9.625 ( 0.000 7.660 -6.403) 9.984 9.880 ( -0.000 2.656 3.379) 4.298 11.966 ( -0.000 -15.887 2.254) 16.046 14.550 ( -0.000 -2.061 2.111) 2.950 15.874 ( 0.000 17.985 0.211) 17.986 16.184 ( 0.000 2.737 -3.801) 4.684 16.992 ( 0.000 35.674 -8.137) 36.590 17.664 ( -0.000 0.025 6.918) 6.918 19.152 ( 0.000 -1.296 -3.181) 3.435 ======================= Grid point 945 (420/441) ======================= q-point: (-0.42 -0.58 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -0.740 0.368 0.000) 0.826 3.814 ( -11.705 -1.111 0.000) 11.757 5.085 ( -39.217 -1.902 0.000) 39.263 5.804 ( -42.447 -22.459 0.000) 48.023 7.948 ( -25.323 -11.611 0.000) 27.858 8.758 ( 24.244 3.972 -0.000) 24.567 10.090 ( -0.734 -10.033 -0.000) 10.060 10.165 ( -11.082 5.415 0.000) 12.334 11.831 ( 1.825 4.904 0.000) 5.232 14.188 ( 7.642 0.228 -0.000) 7.645 14.469 ( 13.562 -1.671 -0.000) 13.664 16.150 ( 14.882 11.246 -0.000) 18.654 16.872 ( -1.695 -7.831 -0.000) 8.012 17.868 ( 4.023 14.684 0.000) 15.225 18.378 ( 12.325 -4.762 -0.000) 13.213 ======================= Grid point 952 (421/441) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 0.000 3.941 0.000) 3.941 3.198 ( 0.000 2.985 0.000) 2.985 3.375 ( 0.000 6.103 0.000) 6.103 7.034 ( -0.000 -18.597 -0.000) 18.597 7.697 ( -0.000 -59.307 -0.000) 59.307 9.021 ( 0.000 13.633 0.000) 13.633 9.374 ( 0.000 12.633 0.000) 12.633 9.605 ( -0.000 -2.850 -0.000) 2.850 12.672 ( -0.000 -11.577 -0.000) 11.577 14.652 ( -0.000 -3.697 -0.000) 3.697 15.237 ( 0.000 12.248 0.000) 12.248 15.680 ( 0.000 19.903 0.000) 19.903 16.055 ( 0.000 5.041 0.000) 5.041 17.521 ( 0.000 8.499 0.000) 8.499 18.947 ( 0.000 11.485 0.000) 11.485 ======================= Grid point 960 (422/441) ======================= q-point: (-0.43 -0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 1326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -12.856 -15.728 -29.661) 35.950 3.134 ( -14.527 -2.024 -14.740) 20.794 3.727 ( -1.056 2.184 12.063) 12.304 4.206 ( -7.962 -31.681 15.149) 36.008 6.446 ( -17.103 -6.360 5.360) 19.018 9.522 ( 4.589 8.500 -1.819) 9.829 9.821 ( -5.022 3.233 -0.463) 5.991 9.891 ( 0.529 -3.691 -2.651) 4.576 11.719 ( -0.842 -7.319 2.027) 7.641 14.498 ( 2.173 -0.938 1.818) 2.984 16.028 ( 18.938 3.118 -3.517) 19.513 16.253 ( -2.044 14.893 1.777) 15.137 17.285 ( 5.005 -4.375 -8.720) 10.965 17.991 ( -1.365 28.031 7.869) 29.147 18.960 ( 5.544 -11.297 -0.608) 12.599 ======================= Grid point 971 (423/441) ======================= q-point: (-0.35 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( -1.696 0.000 0.000) 1.696 4.118 ( -21.220 0.000 0.000) 21.220 5.852 ( -39.518 0.000 0.000) 39.518 6.435 ( -41.241 0.000 0.000) 41.241 8.203 ( 32.845 -0.000 -0.000) 32.845 8.231 ( -15.770 0.000 0.000) 15.770 9.946 ( 5.363 -0.000 -0.000) 5.363 10.503 ( -17.640 0.000 0.000) 17.640 11.890 ( -2.069 0.000 0.000) 2.069 14.020 ( 9.990 -0.000 -0.000) 9.990 14.338 ( -2.169 0.000 0.000) 2.169 15.878 ( 18.818 -0.000 -0.000) 18.818 16.951 ( -10.177 0.000 0.000) 10.177 17.901 ( 9.264 -0.000 -0.000) 9.264 18.072 ( 11.357 -0.000 -0.000) 11.357 ======================= Grid point 978 (424/441) ======================= q-point: (-0.59 -0.41 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -4.074 2.726 0.000) 4.902 3.373 ( -14.745 0.715 0.000) 14.762 3.468 ( -1.137 2.293 0.000) 2.559 6.293 ( 0.829 -55.980 -0.000) 55.986 6.989 ( -25.277 -28.106 0.000) 37.800 9.124 ( 10.518 11.654 -0.000) 15.699 9.629 ( -0.374 4.030 0.000) 4.047 9.809 ( -13.704 9.657 0.000) 16.764 12.290 ( 4.551 -17.911 -0.000) 18.480 14.549 ( 3.392 -2.139 -0.000) 4.010 15.565 ( -3.747 14.785 0.000) 15.252 15.760 ( 23.541 13.084 -0.000) 26.932 16.584 ( -16.770 23.583 0.000) 28.937 17.575 ( 5.449 1.766 -0.000) 5.728 19.061 ( 7.154 6.220 -0.000) 9.480 ======================= Grid point 986 (425/441) ======================= q-point: (-0.36 -0.48 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -18.429 0.000 -29.330) 34.639 3.366 ( -9.622 0.000 -23.518) 25.411 3.955 ( -14.710 -0.000 5.424) 15.678 4.122 ( -26.294 -0.000 33.774) 42.802 6.817 ( -26.345 -0.000 6.861) 27.224 9.594 ( 14.263 0.000 -6.168) 15.539 9.716 ( -5.244 0.000 -1.896) 5.576 9.964 ( -5.683 -0.000 3.304) 6.573 11.703 ( -3.179 0.000 -4.936) 5.871 14.423 ( 4.668 -0.000 0.646) 4.712 15.571 ( 29.462 -0.000 0.632) 29.468 16.504 ( -4.551 -0.000 1.566) 4.813 17.021 ( 12.010 0.000 -4.269) 12.747 18.355 ( 4.714 -0.000 8.101) 9.373 18.619 ( 6.000 -0.000 -0.318) 6.008 ======================= Grid point 1004 (426/441) ======================= q-point: (-0.52 -0.48 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -1.267 2.573 0.000) 2.868 3.549 ( -4.206 1.458 0.000) 4.451 3.780 ( -27.737 -2.802 0.000) 27.879 5.283 ( -19.435 -55.742 -0.000) 59.033 7.092 ( -29.523 -17.306 0.000) 34.221 9.168 ( 9.772 12.241 -0.000) 15.663 9.775 ( -3.150 6.532 0.000) 7.251 10.117 ( -8.677 -3.860 0.000) 9.497 11.912 ( 2.349 -9.258 -0.000) 9.551 14.438 ( 4.768 -0.925 -0.000) 4.857 15.427 ( 29.692 6.341 -0.000) 30.361 15.955 ( -3.210 16.121 0.000) 16.437 17.375 ( -7.943 26.851 0.000) 28.001 17.377 ( 10.363 -5.684 -0.000) 11.819 18.924 ( 11.125 -1.377 -0.000) 11.210 ======================= Grid point 1031 (427/441) ======================= q-point: (-0.45 -0.55 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -0.185 1.190 0.000) 1.205 3.675 ( -3.325 2.072 0.000) 3.917 4.345 ( -35.258 -2.355 0.000) 35.337 4.960 ( -41.924 -31.902 0.000) 52.682 7.400 ( -29.334 -9.855 0.000) 30.945 9.167 ( 17.059 9.834 -0.000) 19.690 9.995 ( -6.672 4.908 0.000) 8.283 10.029 ( -4.399 -11.994 -0.000) 12.776 11.845 ( -1.226 1.168 0.000) 1.693 14.322 ( 5.952 -0.201 -0.000) 5.956 14.901 ( 29.119 1.187 -0.000) 29.144 16.317 ( 1.744 16.625 0.000) 16.716 16.967 ( 10.876 -12.128 -0.000) 16.290 17.920 ( 1.229 19.196 0.000) 19.235 18.607 ( 11.035 -7.012 -0.000) 13.074 ======================= Grid point 1046 (428/441) ======================= q-point: (-0.46 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 -23.423 -28.889) 37.192 2.983 ( 0.000 0.131 -13.080) 13.081 3.717 ( -0.000 -0.120 17.672) 17.673 4.144 ( -0.000 -28.205 5.460) 28.729 6.270 ( -0.000 -5.790 4.816) 7.531 9.571 ( 0.000 3.793 0.032) 3.793 9.763 ( 0.000 5.574 -3.252) 6.454 9.900 ( 0.000 -0.498 -1.679) 1.751 11.710 ( -0.000 -8.674 4.985) 10.004 14.518 ( -0.000 -1.068 2.152) 2.403 16.227 ( 0.000 1.418 -4.010) 4.253 16.228 ( 0.000 15.416 1.353) 15.475 17.334 ( 0.000 -3.195 -9.184) 9.724 17.973 ( 0.000 30.774 6.844) 31.525 19.017 ( -0.000 -12.106 -1.219) 12.167 ======================= Grid point 1057 (429/441) ======================= q-point: (-0.38 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -0.293 0.000 0.000) 0.293 3.803 ( -10.426 0.000 0.000) 10.426 5.065 ( -39.620 0.000 0.000) 39.620 5.564 ( -46.888 0.000 0.000) 46.888 7.830 ( -24.421 0.000 0.000) 24.421 8.803 ( 27.818 -0.000 -0.000) 27.818 9.980 ( -2.275 0.000 0.000) 2.275 10.221 ( -11.168 0.000 0.000) 11.168 11.883 ( 0.414 -0.000 -0.000) 0.414 14.190 ( 7.435 -0.000 -0.000) 7.435 14.452 ( 14.739 -0.000 -0.000) 14.739 16.295 ( 22.542 -0.000 -0.000) 22.542 16.763 ( -8.832 0.000 0.000) 8.832 18.062 ( 7.019 -0.000 -0.000) 7.019 18.287 ( 10.338 -0.000 -0.000) 10.338 ======================= Grid point 1064 (430/441) ======================= q-point: (-0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 0.000 2.530 0.000) 2.530 3.252 ( 0.000 2.210 0.000) 2.210 3.458 ( 0.000 1.714 0.000) 1.714 6.357 ( -0.000 -69.202 -0.000) 69.202 6.682 ( -0.000 -15.687 -0.000) 15.687 9.270 ( 0.000 10.744 0.000) 10.744 9.626 ( 0.000 3.361 0.000) 3.361 9.630 ( 0.000 11.541 0.000) 11.541 12.334 ( -0.000 -19.543 -0.000) 19.543 14.583 ( -0.000 -2.977 -0.000) 2.977 15.526 ( 0.000 15.809 0.000) 15.809 16.148 ( 0.000 4.076 0.000) 4.076 16.264 ( 0.000 35.923 0.000) 35.923 17.629 ( 0.000 1.807 0.000) 1.807 19.135 ( 0.000 6.315 0.000) 6.315 ======================= Grid point 1072 (431/441) ======================= q-point: (-0.39 -0.45 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 714 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -21.638 0.000 -29.206) 36.349 3.116 ( -12.294 0.000 -15.762) 19.990 3.789 ( -8.905 -0.000 36.727) 37.792 3.862 ( 1.361 0.000 -9.797) 9.891 6.381 ( -16.594 -0.000 5.706) 17.547 9.636 ( -2.733 0.000 -0.353) 2.756 9.807 ( 7.263 0.000 -6.960) 10.059 9.872 ( -3.498 -0.000 2.109) 4.085 11.645 ( -2.312 -0.000 2.580) 3.464 14.488 ( 2.053 -0.000 1.838) 2.755 16.058 ( 18.160 0.000 -3.356) 18.467 16.436 ( -2.318 -0.000 2.036) 3.085 17.196 ( 5.811 0.000 -6.027) 8.373 18.435 ( 3.273 -0.000 5.748) 6.614 18.709 ( 3.150 0.000 -0.650) 3.216 ======================= Grid point 1090 (432/441) ======================= q-point: (-0.55 -0.45 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -4.963 2.594 0.000) 5.600 3.370 ( -11.785 -0.936 0.000) 11.822 3.459 ( -4.654 -4.482 0.000) 6.462 5.041 ( -5.786 -59.567 -0.000) 59.848 6.600 ( -18.955 -13.554 0.000) 23.302 9.349 ( 8.491 10.299 -0.000) 13.348 9.727 ( -1.680 5.040 0.000) 5.312 9.936 ( -9.059 2.621 0.000) 9.431 11.938 ( 0.655 -15.301 -0.000) 15.315 14.509 ( 2.340 -1.749 -0.000) 2.921 15.895 ( -2.413 17.144 0.000) 17.313 15.964 ( 22.820 6.946 -0.000) 23.854 17.196 ( -9.453 34.629 0.000) 35.896 17.537 ( 5.520 -5.430 -0.000) 7.743 19.109 ( 7.063 -2.000 -0.000) 7.341 ======================= Grid point 1117 (433/441) ======================= q-point: (-0.48 -0.52 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 777 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -0.342 2.060 0.000) 2.088 3.581 ( -11.676 2.050 0.000) 11.855 3.723 ( -27.176 -2.441 0.000) 27.285 4.271 ( -22.307 -39.922 0.000) 45.731 6.836 ( -26.778 -8.149 0.000) 27.991 9.423 ( 9.042 12.723 -0.000) 15.609 9.887 ( -4.515 4.079 0.000) 6.084 9.954 ( -2.620 -11.088 -0.000) 11.394 11.784 ( -4.456 -3.578 0.000) 5.715 14.421 ( 4.096 -0.634 -0.000) 4.145 15.529 ( 31.954 3.439 -0.000) 32.139 16.289 ( -2.952 15.552 0.000) 15.829 17.206 ( 11.331 -10.119 -0.000) 15.191 17.923 ( -0.587 25.444 0.000) 25.451 18.810 ( 9.408 -9.653 -0.000) 13.479 ======================= Grid point 1144 (434/441) ======================= q-point: (-0.41 -0.59 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 0.284 -0.000 -0.000) 0.284 3.708 ( 0.425 -0.000 -0.000) 0.425 4.320 ( -35.427 0.000 0.000) 35.427 4.607 ( -49.669 0.000 0.000) 49.669 7.300 ( -28.446 0.000 0.000) 28.446 9.291 ( 21.670 -0.000 -0.000) 21.670 9.877 ( -7.115 0.000 0.000) 7.115 10.047 ( -7.036 0.000 0.000) 7.036 11.860 ( -3.491 0.000 0.000) 3.491 14.319 ( 5.718 -0.000 -0.000) 5.718 14.914 ( 30.710 -0.000 -0.000) 30.710 16.606 ( -7.008 0.000 0.000) 7.008 16.725 ( 20.194 -0.000 -0.000) 20.194 18.180 ( 5.199 -0.000 -0.000) 5.199 18.475 ( 8.611 -0.000 -0.000) 8.611 ======================= Grid point 1159 (435/441) ======================= q-point: (-0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 0.000 -25.960) 25.960 2.984 ( 0.000 0.000 -13.680) 13.680 3.710 ( -0.000 -0.000 34.849) 34.849 3.889 ( 0.000 0.000 -14.827) 14.827 6.210 ( -0.000 -0.000 5.075) 5.075 9.609 ( -0.000 -0.000 0.058) 0.058 9.836 ( -0.000 -0.000 1.594) 1.594 9.878 ( 0.000 0.000 -7.198) 7.198 11.621 ( -0.000 -0.000 6.037) 6.037 14.507 ( -0.000 -0.000 2.163) 2.163 16.241 ( 0.000 0.000 -4.077) 4.077 16.413 ( -0.000 -0.000 2.197) 2.197 17.252 ( 0.000 0.000 -6.342) 6.342 18.471 ( -0.000 -0.000 3.896) 3.896 18.741 ( 0.000 0.000 -0.763) 0.763 ======================= Grid point 1177 (436/441) ======================= q-point: (-0.58 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 0.000 1.478 0.000) 1.478 3.285 ( 0.000 1.049 0.000) 1.049 3.404 ( -0.000 -9.301 -0.000) 9.301 4.997 ( -0.000 -59.622 -0.000) 59.622 6.403 ( -0.000 -11.424 -0.000) 11.424 9.456 ( 0.000 7.400 0.000) 7.400 9.710 ( 0.000 4.467 0.000) 4.467 9.822 ( 0.000 7.041 0.000) 7.041 11.944 ( -0.000 -17.413 -0.000) 17.413 14.531 ( -0.000 -2.088 -0.000) 2.088 15.870 ( 0.000 17.554 0.000) 17.554 16.219 ( 0.000 2.866 0.000) 2.866 17.076 ( 0.000 41.856 0.000) 41.856 17.591 ( -0.000 -5.435 -0.000) 5.435 19.182 ( -0.000 -2.212 -0.000) 2.212 ======================= Grid point 1204 (437/441) ======================= q-point: (-0.51 -0.49 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -21.497 -23.497 0.000) 31.847 3.223 ( -7.415 2.682 0.000) 7.885 3.337 ( -8.120 -2.171 0.000) 8.405 4.138 ( 2.141 -23.618 -0.000) 23.715 6.395 ( -16.708 -6.688 0.000) 17.997 9.539 ( 3.328 8.068 0.000) 8.727 9.817 ( -2.549 3.344 0.000) 4.205 9.925 ( -0.669 -3.039 -0.000) 3.112 11.699 ( -3.532 -7.862 -0.000) 8.619 14.481 ( 1.910 -0.956 -0.000) 2.136 16.060 ( 20.020 2.828 -0.000) 20.219 16.235 ( -2.093 15.012 0.000) 15.157 17.376 ( 5.710 -9.114 -0.000) 10.755 17.907 ( -0.825 32.948 0.000) 32.958 18.966 ( 6.020 -12.001 -0.000) 13.427 ======================= Grid point 1231 (438/441) ======================= q-point: (-0.44 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.358 -0.000 -0.000) 0.358 3.645 ( -46.723 0.000 0.000) 46.723 3.695 ( -27.409 0.000 0.000) 27.409 3.794 ( 7.305 -0.000 -0.000) 7.305 6.753 ( -25.956 0.000 0.000) 25.956 9.651 ( 14.790 -0.000 -0.000) 14.790 9.737 ( -6.407 0.000 0.000) 6.407 9.930 ( -4.948 0.000 0.000) 4.948 11.750 ( -6.973 0.000 0.000) 6.973 14.415 ( 3.898 -0.000 -0.000) 3.898 15.564 ( 32.369 -0.000 -0.000) 32.369 16.489 ( -4.843 0.000 0.000) 4.843 17.062 ( 13.581 -0.000 -0.000) 13.581 18.279 ( 5.126 -0.000 -0.000) 5.126 18.622 ( 6.206 -0.000 -0.000) 6.206 ======================= Grid point 1292 (439/441) ======================= q-point: (-0.54 -0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -0.000 -33.218 -0.000) 33.218 3.106 ( 0.000 0.675 0.000) 0.675 3.297 ( 0.000 0.250 0.000) 0.250 4.176 ( -0.000 -18.773 -0.000) 18.773 6.223 ( -0.000 -6.037 -0.000) 6.037 9.570 ( 0.000 3.769 0.000) 3.769 9.791 ( 0.000 3.053 0.000) 3.053 9.919 ( 0.000 2.735 0.000) 2.735 11.662 ( -0.000 -9.680 -0.000) 9.680 14.499 ( -0.000 -1.077 -0.000) 1.077 16.214 ( 0.000 14.947 0.000) 14.947 16.264 ( 0.000 1.480 0.000) 1.480 17.432 ( -0.000 -8.952 -0.000) 8.952 17.898 ( 0.000 36.933 0.000) 36.933 19.029 ( -0.000 -12.914 -0.000) 12.914 ======================= Grid point 1319 (440/441) ======================= q-point: (-0.47 -0.53 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -31.964 0.000 0.000) 31.964 3.267 ( -15.360 0.000 0.000) 15.360 3.297 ( 0.211 -0.000 -0.000) 0.211 3.948 ( 7.083 -0.000 -0.000) 7.083 6.327 ( -16.124 0.000 0.000) 16.124 9.641 ( -3.272 0.000 0.000) 3.272 9.852 ( -2.835 0.000 0.000) 2.835 9.871 ( 7.489 -0.000 -0.000) 7.489 11.619 ( -5.441 0.000 0.000) 5.441 14.471 ( 1.796 -0.000 -0.000) 1.796 16.088 ( 19.095 -0.000 -0.000) 19.095 16.417 ( -2.470 0.000 0.000) 2.470 17.255 ( 6.191 -0.000 -0.000) 6.191 18.380 ( 4.640 -0.000 -0.000) 4.640 18.715 ( 3.256 -0.000 -0.000) 3.256 ======================= Grid point 1408 (441/441) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.09e-04 1.46e-03 1.46e-03 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 0.000 -0.000) 0.000 3.113 ( -0.000 0.000 -0.000) 0.000 3.299 ( -0.000 0.000 0.000) 0.000 4.026 ( 0.000 0.000 -0.000) 0.000 6.161 ( 0.000 0.000 -0.000) 0.000 9.609 ( 0.000 -0.000 -0.000) 0.000 9.824 ( 0.000 0.000 -0.000) 0.000 9.945 ( 0.000 0.000 -0.000) 0.000 11.562 ( 0.000 0.000 -0.000) 0.000 14.488 ( -0.000 0.000 -0.000) 0.000 16.279 ( -0.000 -0.000 -0.000) 0.000 16.392 ( 0.000 -0.000 -0.000) 0.000 17.314 ( 0.000 0.000 -0.000) 0.000 18.432 ( 0.000 -0.000 -0.000) 0.000 18.748 ( 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 3/39780 10.0 1144.363 1894.946 2035.881 -0.000 -0.000 0.000 3/39780 20.0 944.783 786.914 974.318 -0.000 -0.000 -0.000 3/39780 30.0 730.519 517.235 663.139 -0.000 -0.000 -0.000 3/39780 40.0 622.072 364.113 494.782 -0.000 -0.000 -0.000 3/39780 50.0 508.963 256.511 362.268 -0.000 -0.000 -0.000 3/39780 60.0 400.124 179.885 259.795 -0.000 -0.000 -0.000 3/39780 70.0 312.876 128.575 188.452 -0.000 -0.000 -0.000 3/39780 80.0 248.544 95.079 140.722 -0.000 -0.000 -0.000 3/39780 90.0 201.812 72.937 108.518 -0.000 -0.000 -0.000 3/39780 100.0 167.433 57.867 86.225 -0.000 -0.000 -0.000 3/39780 110.0 141.619 47.272 70.336 -0.000 -0.000 -0.000 3/39780 120.0 121.825 39.586 58.691 -0.000 -0.000 -0.000 3/39780 130.0 106.343 33.851 49.935 -0.000 -0.000 -0.000 3/39780 140.0 94.015 29.461 43.199 -0.000 -0.000 -0.000 3/39780 150.0 84.040 26.025 37.909 -0.000 -0.000 -0.000 3/39780 160.0 75.848 23.281 33.678 -0.000 -0.000 -0.000 3/39780 170.0 69.033 21.051 30.239 -0.000 -0.000 -0.000 3/39780 180.0 63.294 19.209 27.402 -0.000 -0.000 -0.000 3/39780 190.0 58.410 17.667 25.031 -0.000 -0.000 -0.000 3/39780 200.0 54.212 16.359 23.026 -0.000 -0.000 -0.000 3/39780 210.0 50.570 15.237 21.312 -0.000 -0.000 -0.000 3/39780 220.0 47.386 14.265 19.833 -0.000 -0.000 -0.000 3/39780 230.0 44.581 13.415 18.546 -0.000 -0.000 -0.000 3/39780 240.0 42.094 12.666 17.416 -0.000 -0.000 -0.000 3/39780 250.0 39.873 12.000 16.418 -0.000 -0.000 -0.000 3/39780 260.0 37.881 11.405 15.530 -0.000 -0.000 -0.000 3/39780 270.0 36.083 10.870 14.736 -0.000 -0.000 -0.000 3/39780 280.0 34.452 10.386 14.020 -0.000 -0.000 -0.000 3/39780 290.0 32.968 9.947 13.374 -0.000 -0.000 -0.000 3/39780 300.0 31.610 9.545 12.786 -0.000 -0.000 -0.000 3/39780 310.0 30.364 9.177 12.250 -0.000 -0.000 -0.000 3/39780 320.0 29.215 8.837 11.758 -0.000 -0.000 -0.000 3/39780 330.0 28.154 8.524 11.306 -0.000 -0.000 -0.000 3/39780 340.0 27.171 8.234 10.889 -0.000 -0.000 -0.000 3/39780 350.0 26.256 7.964 10.503 -0.000 -0.000 -0.000 3/39780 360.0 25.404 7.712 10.145 -0.000 -0.000 -0.000 3/39780 370.0 24.607 7.476 9.812 -0.000 -0.000 -0.000 3/39780 380.0 23.861 7.256 9.500 -0.000 -0.000 -0.000 3/39780 390.0 23.161 7.049 9.209 -0.000 -0.000 -0.000 3/39780 400.0 22.502 6.854 8.936 -0.000 -0.000 -0.000 3/39780 410.0 21.881 6.670 8.679 -0.000 -0.000 -0.000 3/39780 420.0 21.295 6.496 8.438 -0.000 -0.000 -0.000 3/39780 430.0 20.741 6.332 8.210 -0.000 -0.000 -0.000 3/39780 440.0 20.216 6.176 7.994 -0.000 -0.000 -0.000 3/39780 450.0 19.718 6.028 7.790 -0.000 -0.000 -0.000 3/39780 460.0 19.245 5.887 7.597 -0.000 -0.000 -0.000 3/39780 470.0 18.795 5.753 7.414 -0.000 -0.000 -0.000 3/39780 480.0 18.366 5.625 7.239 -0.000 -0.000 -0.000 3/39780 490.0 17.958 5.503 7.073 -0.000 -0.000 -0.000 3/39780 500.0 17.567 5.386 6.915 -0.000 -0.000 -0.000 3/39780 510.0 17.194 5.275 6.764 -0.000 -0.000 -0.000 3/39780 520.0 16.837 5.168 6.619 -0.000 -0.000 -0.000 3/39780 530.0 16.495 5.066 6.481 -0.000 -0.000 -0.000 3/39780 540.0 16.167 4.967 6.349 -0.000 -0.000 -0.000 3/39780 550.0 15.852 4.873 6.222 -0.000 -0.000 -0.000 3/39780 560.0 15.550 4.782 6.101 -0.000 -0.000 -0.000 3/39780 570.0 15.259 4.695 5.984 -0.000 -0.000 -0.000 3/39780 580.0 14.980 4.611 5.872 -0.000 -0.000 -0.000 3/39780 590.0 14.710 4.530 5.764 -0.000 -0.000 -0.000 3/39780 600.0 14.451 4.452 5.660 -0.000 -0.000 -0.000 3/39780 610.0 14.201 4.377 5.560 -0.000 -0.000 -0.000 3/39780 620.0 13.959 4.304 5.464 -0.000 -0.000 -0.000 3/39780 630.0 13.726 4.233 5.371 -0.000 -0.000 -0.000 3/39780 640.0 13.501 4.165 5.281 -0.000 -0.000 -0.000 3/39780 650.0 13.283 4.100 5.194 -0.000 -0.000 -0.000 3/39780 660.0 13.072 4.036 5.110 -0.000 -0.000 -0.000 3/39780 670.0 12.868 3.974 5.029 -0.000 -0.000 -0.000 3/39780 680.0 12.671 3.914 4.950 -0.000 -0.000 -0.000 3/39780 690.0 12.479 3.856 4.874 -0.000 -0.000 -0.000 3/39780 700.0 12.294 3.800 4.801 -0.000 -0.000 -0.000 3/39780 710.0 12.114 3.746 4.729 -0.000 -0.000 -0.000 3/39780 720.0 11.939 3.693 4.660 -0.000 -0.000 -0.000 3/39780 730.0 11.770 3.641 4.593 -0.000 -0.000 -0.000 3/39780 740.0 11.605 3.591 4.528 -0.000 -0.000 -0.000 3/39780 750.0 11.445 3.542 4.464 -0.000 -0.000 -0.000 3/39780 760.0 11.289 3.495 4.403 -0.000 -0.000 -0.000 3/39780 770.0 11.138 3.449 4.343 -0.000 -0.000 -0.000 3/39780 780.0 10.991 3.404 4.285 -0.000 -0.000 -0.000 3/39780 790.0 10.847 3.361 4.228 -0.000 -0.000 -0.000 3/39780 800.0 10.708 3.318 4.173 -0.000 -0.000 -0.000 3/39780 810.0 10.572 3.277 4.119 -0.000 -0.000 -0.000 3/39780 820.0 10.439 3.236 4.067 -0.000 -0.000 -0.000 3/39780 830.0 10.310 3.197 4.016 -0.000 -0.000 -0.000 3/39780 840.0 10.184 3.158 3.966 -0.000 -0.000 -0.000 3/39780 850.0 10.061 3.121 3.918 -0.000 -0.000 -0.000 3/39780 860.0 9.941 3.084 3.871 -0.000 -0.000 -0.000 3/39780 870.0 9.824 3.049 3.825 -0.000 -0.000 -0.000 3/39780 880.0 9.710 3.014 3.780 -0.000 -0.000 -0.000 3/39780 890.0 9.599 2.979 3.736 -0.000 -0.000 -0.000 3/39780 900.0 9.490 2.946 3.693 -0.000 -0.000 -0.000 3/39780 910.0 9.383 2.914 3.651 -0.000 -0.000 -0.000 3/39780 920.0 9.279 2.882 3.610 -0.000 -0.000 -0.000 3/39780 930.0 9.177 2.851 3.570 -0.000 -0.000 -0.000 3/39780 940.0 9.078 2.820 3.531 -0.000 -0.000 -0.000 3/39780 950.0 8.980 2.790 3.493 -0.000 -0.000 -0.000 3/39780 960.0 8.885 2.761 3.455 -0.000 -0.000 -0.000 3/39780 970.0 8.792 2.732 3.419 -0.000 -0.000 -0.000 3/39780 980.0 8.701 2.704 3.383 -0.000 -0.000 -0.000 3/39780 990.0 8.611 2.677 3.348 -0.000 -0.000 -0.000 3/39780 1000.0 8.524 2.650 3.314 -0.000 -0.000 -0.000 3/39780 Thermal conductivity related properties were written into "kappa-m112652.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:29:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|