----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:26:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 216 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.259261121088195 0.000000000000000 0.000000000000000 b -1.629630560544097 2.822602928429326 0.000000000000000 c 0.000000000000000 0.000000000000000 5.416768220000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.61712211632420 6.941 2 Li 0.33333333333333 0.66666666666667 0.38287788367580 6.941 *3 N 0.66666666666667 0.33333333333333 0.22261692779388 14.007 4 N 0.33333333333333 0.66666666666667 0.77738307220612 14.007 *5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.259261121088195 0.000000000000000 0.000000000000000 b -1.629630560544097 2.822602928429326 0.000000000000000 c 0.000000000000000 0.000000000000000 5.416768220000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.61712211632420 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.38287788367580 6.941 > 2 *3 N 0.66666666666667 0.33333333333333 0.22261692779388 14.007 > 3 4 N 0.33333333333333 0.66666666666667 0.77738307220612 14.007 > 4 *5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.777783363264586 0.000000000000000 0.000000000000000 b -4.888891681632291 8.467808785287978 0.000000000000000 c 0.000000000000000 0.000000000000000 10.833536440000000 Atomic positions (fractional): *1 Li 0.22222222222222 0.11111111111111 0.30856105816210 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30856105816210 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30856105816210 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30856105816210 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30856105816210 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30856105816210 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30856105816210 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30856105816210 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30856105816210 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80856105816210 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80856105816210 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80856105816210 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80856105816210 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80856105816210 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80856105816210 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80856105816210 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80856105816210 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80856105816210 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19143894183790 6.941 > 2 20 Li 0.44444444444444 0.22222222222222 0.19143894183790 6.941 > 2 21 Li 0.77777777777778 0.22222222222222 0.19143894183790 6.941 > 2 22 Li 0.11111111111111 0.55555555555556 0.19143894183790 6.941 > 2 23 Li 0.44444444444444 0.55555555555556 0.19143894183790 6.941 > 2 24 Li 0.77777777777778 0.55555555555556 0.19143894183790 6.941 > 2 25 Li 0.11111111111111 0.88888888888889 0.19143894183790 6.941 > 2 26 Li 0.44444444444444 0.88888888888889 0.19143894183790 6.941 > 2 27 Li 0.77777777777778 0.88888888888889 0.19143894183790 6.941 > 2 28 Li 0.11111111111111 0.22222222222222 0.69143894183790 6.941 > 2 29 Li 0.44444444444444 0.22222222222222 0.69143894183790 6.941 > 2 30 Li 0.77777777777778 0.22222222222222 0.69143894183790 6.941 > 2 31 Li 0.11111111111111 0.55555555555556 0.69143894183790 6.941 > 2 32 Li 0.44444444444444 0.55555555555556 0.69143894183790 6.941 > 2 33 Li 0.77777777777778 0.55555555555556 0.69143894183790 6.941 > 2 34 Li 0.11111111111111 0.88888888888889 0.69143894183790 6.941 > 2 35 Li 0.44444444444444 0.88888888888889 0.69143894183790 6.941 > 2 36 Li 0.77777777777778 0.88888888888889 0.69143894183790 6.941 > 2 *37 N 0.22222222222222 0.11111111111111 0.11130846389694 14.007 > 3 38 N 0.55555555555556 0.11111111111111 0.11130846389694 14.007 > 3 39 N 0.88888888888889 0.11111111111111 0.11130846389694 14.007 > 3 40 N 0.22222222222222 0.44444444444444 0.11130846389694 14.007 > 3 41 N 0.55555555555556 0.44444444444444 0.11130846389694 14.007 > 3 42 N 0.88888888888889 0.44444444444444 0.11130846389694 14.007 > 3 43 N 0.22222222222222 0.77777777777778 0.11130846389694 14.007 > 3 44 N 0.55555555555556 0.77777777777778 0.11130846389694 14.007 > 3 45 N 0.88888888888889 0.77777777777778 0.11130846389694 14.007 > 3 46 N 0.22222222222222 0.11111111111111 0.61130846389694 14.007 > 3 47 N 0.55555555555556 0.11111111111111 0.61130846389694 14.007 > 3 48 N 0.88888888888889 0.11111111111111 0.61130846389694 14.007 > 3 49 N 0.22222222222222 0.44444444444444 0.61130846389694 14.007 > 3 50 N 0.55555555555556 0.44444444444444 0.61130846389694 14.007 > 3 51 N 0.88888888888889 0.44444444444444 0.61130846389694 14.007 > 3 52 N 0.22222222222222 0.77777777777778 0.61130846389694 14.007 > 3 53 N 0.55555555555556 0.77777777777778 0.61130846389694 14.007 > 3 54 N 0.88888888888889 0.77777777777778 0.61130846389694 14.007 > 3 55 N 0.11111111111111 0.22222222222222 0.38869153610306 14.007 > 4 56 N 0.44444444444444 0.22222222222222 0.38869153610306 14.007 > 4 57 N 0.77777777777778 0.22222222222222 0.38869153610306 14.007 > 4 58 N 0.11111111111111 0.55555555555556 0.38869153610306 14.007 > 4 59 N 0.44444444444444 0.55555555555556 0.38869153610306 14.007 > 4 60 N 0.77777777777778 0.55555555555556 0.38869153610306 14.007 > 4 61 N 0.11111111111111 0.88888888888889 0.38869153610306 14.007 > 4 62 N 0.44444444444444 0.88888888888889 0.38869153610306 14.007 > 4 63 N 0.77777777777778 0.88888888888889 0.38869153610306 14.007 > 4 64 N 0.11111111111111 0.22222222222222 0.88869153610306 14.007 > 4 65 N 0.44444444444444 0.22222222222222 0.88869153610306 14.007 > 4 66 N 0.77777777777778 0.22222222222222 0.88869153610306 14.007 > 4 67 N 0.11111111111111 0.55555555555556 0.88869153610306 14.007 > 4 68 N 0.44444444444444 0.55555555555556 0.88869153610306 14.007 > 4 69 N 0.77777777777778 0.55555555555556 0.88869153610306 14.007 > 4 70 N 0.11111111111111 0.88888888888889 0.88869153610306 14.007 > 4 71 N 0.44444444444444 0.88888888888889 0.88869153610306 14.007 > 4 72 N 0.77777777777778 0.88888888888889 0.88869153610306 14.007 > 4 *73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 5 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 5 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 5 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 5 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 5 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 5 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 5 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 5 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 5 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 5 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 5 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 5 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 5 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 5 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 5 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 5 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 5 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2527777 -0.0000000 0.0000000 0.0000000 9.2527777 0.0000000 0.0000000 0.0000000 5.5130944 -------------------------- Born effective charges -------------------------- 1 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 2 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 3 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 4 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 5 Zr 6.3580772 -0.0000000 0.0000000 -0.0000000 6.3580772 0.0000000 0.0000000 0.0000000 2.4270878 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.145 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 224 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:26:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.259261121088195 0.000000000000000 0.000000000000000 b -1.629630560544097 2.822602928429326 0.000000000000000 c 0.000000000000000 0.000000000000000 5.416768220000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.61712211632420 6.941 2 Li 0.33333333333333 0.66666666666667 0.38287788367580 6.941 3 N 0.66666666666667 0.33333333333333 0.22261692779388 14.007 4 N 0.33333333333333 0.66666666666667 0.77738307220612 14.007 5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.777783363264586 0.000000000000000 0.000000000000000 b -4.888891681632291 8.467808785287978 0.000000000000000 c 0.000000000000000 0.000000000000000 10.833536440000000 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.30856105816210 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30856105816210 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30856105816210 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30856105816210 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30856105816210 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30856105816210 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30856105816210 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30856105816210 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30856105816210 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80856105816210 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80856105816210 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80856105816210 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80856105816210 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80856105816210 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80856105816210 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80856105816210 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80856105816210 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80856105816210 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19143894183790 6.941 > 19 20 Li 0.44444444444444 0.22222222222222 0.19143894183790 6.941 > 19 21 Li 0.77777777777778 0.22222222222222 0.19143894183790 6.941 > 19 22 Li 0.11111111111111 0.55555555555556 0.19143894183790 6.941 > 19 23 Li 0.44444444444444 0.55555555555556 0.19143894183790 6.941 > 19 24 Li 0.77777777777778 0.55555555555556 0.19143894183790 6.941 > 19 25 Li 0.11111111111111 0.88888888888889 0.19143894183790 6.941 > 19 26 Li 0.44444444444444 0.88888888888889 0.19143894183790 6.941 > 19 27 Li 0.77777777777778 0.88888888888889 0.19143894183790 6.941 > 19 28 Li 0.11111111111111 0.22222222222222 0.69143894183790 6.941 > 19 29 Li 0.44444444444444 0.22222222222222 0.69143894183790 6.941 > 19 30 Li 0.77777777777778 0.22222222222222 0.69143894183790 6.941 > 19 31 Li 0.11111111111111 0.55555555555556 0.69143894183790 6.941 > 19 32 Li 0.44444444444444 0.55555555555556 0.69143894183790 6.941 > 19 33 Li 0.77777777777778 0.55555555555556 0.69143894183790 6.941 > 19 34 Li 0.11111111111111 0.88888888888889 0.69143894183790 6.941 > 19 35 Li 0.44444444444444 0.88888888888889 0.69143894183790 6.941 > 19 36 Li 0.77777777777778 0.88888888888889 0.69143894183790 6.941 > 19 37 N 0.22222222222222 0.11111111111111 0.11130846389694 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.11130846389694 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.11130846389694 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.11130846389694 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.11130846389694 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.11130846389694 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.11130846389694 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.11130846389694 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.11130846389694 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.61130846389694 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.61130846389694 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.61130846389694 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.61130846389694 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.61130846389694 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.61130846389694 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.61130846389694 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.61130846389694 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.61130846389694 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.38869153610306 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.38869153610306 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.38869153610306 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.38869153610306 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.38869153610306 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.38869153610306 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.38869153610306 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.38869153610306 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.38869153610306 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.88869153610306 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.88869153610306 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.88869153610306 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.88869153610306 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.88869153610306 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.88869153610306 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.88869153610306 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.88869153610306 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.88869153610306 14.007 > 55 73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 73 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 73 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 73 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 73 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 73 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 73 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 73 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 73 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 73 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 73 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 73 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 73 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 73 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 73 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 73 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 73 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 73 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2527777 -0.0000000 0.0000000 0.0000000 9.2527777 0.0000000 0.0000000 0.0000000 5.5130944 -------------------------- Born effective charges -------------------------- 1 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 2 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 3 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 4 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 5 Zr 6.3580772 -0.0000000 0.0000000 -0.0000000 6.3580772 0.0000000 0.0000000 0.0000000 2.4270878 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 19:26:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:26:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.259261121088195 0.000000000000000 0.000000000000000 b -1.629630560544097 2.822602928429326 0.000000000000000 c 0.000000000000000 0.000000000000000 5.416768220000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.61712211632420 6.941 2 Li 0.33333333333333 0.66666666666667 0.38287788367580 6.941 3 N 0.66666666666667 0.33333333333333 0.22261692779388 14.007 4 N 0.33333333333333 0.66666666666667 0.77738307220612 14.007 5 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.777783363264586 0.000000000000000 0.000000000000000 b -4.888891681632291 8.467808785287978 0.000000000000000 c 0.000000000000000 0.000000000000000 10.833536440000000 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.30856105816210 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30856105816210 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30856105816210 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30856105816210 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30856105816210 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30856105816210 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30856105816210 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30856105816210 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30856105816210 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80856105816210 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80856105816210 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80856105816210 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80856105816210 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80856105816210 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80856105816210 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80856105816210 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80856105816210 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80856105816210 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19143894183790 6.941 > 19 20 Li 0.44444444444444 0.22222222222222 0.19143894183790 6.941 > 19 21 Li 0.77777777777778 0.22222222222222 0.19143894183790 6.941 > 19 22 Li 0.11111111111111 0.55555555555556 0.19143894183790 6.941 > 19 23 Li 0.44444444444444 0.55555555555556 0.19143894183790 6.941 > 19 24 Li 0.77777777777778 0.55555555555556 0.19143894183790 6.941 > 19 25 Li 0.11111111111111 0.88888888888889 0.19143894183790 6.941 > 19 26 Li 0.44444444444444 0.88888888888889 0.19143894183790 6.941 > 19 27 Li 0.77777777777778 0.88888888888889 0.19143894183790 6.941 > 19 28 Li 0.11111111111111 0.22222222222222 0.69143894183790 6.941 > 19 29 Li 0.44444444444444 0.22222222222222 0.69143894183790 6.941 > 19 30 Li 0.77777777777778 0.22222222222222 0.69143894183790 6.941 > 19 31 Li 0.11111111111111 0.55555555555556 0.69143894183790 6.941 > 19 32 Li 0.44444444444444 0.55555555555556 0.69143894183790 6.941 > 19 33 Li 0.77777777777778 0.55555555555556 0.69143894183790 6.941 > 19 34 Li 0.11111111111111 0.88888888888889 0.69143894183790 6.941 > 19 35 Li 0.44444444444444 0.88888888888889 0.69143894183790 6.941 > 19 36 Li 0.77777777777778 0.88888888888889 0.69143894183790 6.941 > 19 37 N 0.22222222222222 0.11111111111111 0.11130846389694 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.11130846389694 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.11130846389694 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.11130846389694 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.11130846389694 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.11130846389694 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.11130846389694 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.11130846389694 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.11130846389694 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.61130846389694 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.61130846389694 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.61130846389694 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.61130846389694 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.61130846389694 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.61130846389694 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.61130846389694 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.61130846389694 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.61130846389694 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.38869153610306 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.38869153610306 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.38869153610306 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.38869153610306 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.38869153610306 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.38869153610306 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.38869153610306 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.38869153610306 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.38869153610306 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.88869153610306 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.88869153610306 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.88869153610306 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.88869153610306 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.88869153610306 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.88869153610306 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.88869153610306 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.88869153610306 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.88869153610306 14.007 > 55 73 Zr 0.00000000000000 0.00000000000000 0.00000000000000 91.224 > 73 74 Zr 0.33333333333333 0.00000000000000 0.00000000000000 91.224 > 73 75 Zr 0.66666666666667 0.00000000000000 0.00000000000000 91.224 > 73 76 Zr 0.00000000000000 0.33333333333333 0.00000000000000 91.224 > 73 77 Zr 0.33333333333333 0.33333333333333 0.00000000000000 91.224 > 73 78 Zr 0.66666666666667 0.33333333333333 0.00000000000000 91.224 > 73 79 Zr 0.00000000000000 0.66666666666667 0.00000000000000 91.224 > 73 80 Zr 0.33333333333333 0.66666666666667 0.00000000000000 91.224 > 73 81 Zr 0.66666666666667 0.66666666666667 0.00000000000000 91.224 > 73 82 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 73 83 Zr 0.33333333333333 0.00000000000000 0.50000000000000 91.224 > 73 84 Zr 0.66666666666667 0.00000000000000 0.50000000000000 91.224 > 73 85 Zr 0.00000000000000 0.33333333333333 0.50000000000000 91.224 > 73 86 Zr 0.33333333333333 0.33333333333333 0.50000000000000 91.224 > 73 87 Zr 0.66666666666667 0.33333333333333 0.50000000000000 91.224 > 73 88 Zr 0.00000000000000 0.66666666666667 0.50000000000000 91.224 > 73 89 Zr 0.33333333333333 0.66666666666667 0.50000000000000 91.224 > 73 90 Zr 0.66666666666667 0.66666666666667 0.50000000000000 91.224 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.2527777 -0.0000000 0.0000000 0.0000000 9.2527777 0.0000000 0.0000000 0.0000000 5.5130944 -------------------------- Born effective charges -------------------------- 1 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 2 Li 0.7137554 0.0000000 0.0000000 -0.0000000 0.7137554 0.0000000 0.0000000 0.0000000 1.2728360 3 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 4 N -3.8927939 0.0000000 0.0000000 0.0000000 -3.8927939 0.0000000 0.0000000 0.0000000 -2.4863799 5 Zr 6.3580772 -0.0000000 0.0000000 -0.0000000 6.3580772 0.0000000 0.0000000 0.0000000 2.4270878 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 18 9 ] 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: 1.13, Number of G-points: 313, Lambda: 0.33 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/293) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 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 6.293 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 16.270 ( 0.000 0.000 0.000) 0.000 18.866 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/293) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 42.296 24.420 11.127) 50.091 1.012 ( 44.157 25.494 7.926) 51.601 1.739 ( 75.732 43.724 -10.277) 88.050 6.348 ( 4.940 2.852 -3.646) 6.770 9.792 ( -0.734 -0.424 6.462) 6.517 12.343 ( -11.366 -6.562 -11.024) 17.140 12.535 ( 1.514 0.874 -4.604) 4.925 13.182 ( 11.670 6.738 5.375) 14.508 13.601 ( -1.863 -1.076 7.235) 7.548 15.032 ( -17.910 -10.340 -2.456) 20.826 15.782 ( -1.238 -0.715 -0.542) 1.529 16.256 ( -1.198 -0.692 -1.748) 2.229 16.520 ( 16.700 9.642 2.256) 19.415 18.799 ( -5.773 -3.333 0.116) 6.667 19.834 ( 0.440 0.254 0.898) 1.032 ======================= Grid point 2 (3/293) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 38.991 22.511 10.646) 46.264 1.994 ( 41.922 24.204 9.154) 49.266 3.421 ( 71.748 41.424 -8.920) 83.327 6.527 ( 11.064 6.388 -7.164) 14.647 9.786 ( 0.718 0.415 9.634) 9.670 12.082 ( -11.162 -6.444 -11.001) 16.945 12.592 ( 3.675 2.122 -7.549) 8.660 13.352 ( 0.446 0.258 1.015) 1.138 13.531 ( -4.410 -2.546 12.536) 13.531 14.720 ( -5.926 -3.421 -2.136) 7.168 15.741 ( -2.333 -1.347 -0.682) 2.779 16.222 ( -1.649 -0.952 -2.965) 3.523 16.884 ( 14.000 8.083 3.509) 16.543 18.611 ( -10.495 -6.059 0.915) 12.153 19.843 ( 0.187 0.108 0.164) 0.271 ======================= Grid point 3 (4/293) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 32.983 19.043 9.541) 39.263 2.893 ( 36.521 21.085 11.027) 43.589 4.970 ( 63.719 36.788 -6.174) 73.835 6.862 ( 18.633 10.758 -10.249) 23.832 9.850 ( 5.476 3.162 7.891) 10.112 11.840 ( -10.060 -5.808 -7.376) 13.760 12.708 ( 6.575 3.796 -7.026) 10.344 13.193 ( -11.656 -6.730 -5.785) 14.650 13.395 ( -7.555 -4.362 13.894) 16.406 14.791 ( 9.600 5.543 -0.978) 11.128 15.679 ( -2.921 -1.686 1.208) 3.582 16.188 ( -1.175 -0.679 -3.245) 3.517 17.133 ( 7.781 4.492 4.560) 10.075 18.334 ( -13.562 -7.830 3.125) 15.969 19.836 ( -0.912 -0.526 -2.782) 2.974 ======================= Grid point 4 (5/293) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 25.255 14.581 7.595) 30.135 3.621 ( 26.818 15.483 13.118) 33.630 6.273 ( 49.882 28.799 -1.180) 57.611 7.372 ( 25.939 14.976 -12.565) 32.480 10.062 ( 13.659 7.886 0.376) 15.777 11.643 ( -6.513 -3.760 -2.728) 8.000 12.881 ( 7.380 4.261 5.614) 10.205 12.943 ( -8.770 -5.064 -11.400) 15.248 13.202 ( -8.122 -4.689 2.751) 9.774 15.027 ( 8.983 5.186 -2.896) 10.769 15.617 ( -2.233 -1.289 6.817) 7.288 16.171 ( -0.361 -0.209 -2.582) 2.616 17.240 ( 1.930 1.114 4.511) 5.031 18.009 ( -14.732 -8.506 7.564) 18.617 19.800 ( -2.211 -1.277 -7.146) 7.589 ======================= Grid point 5 (6/293) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( 18.008 10.397 5.151) 21.422 4.085 ( 13.685 7.901 14.634) 21.538 7.201 ( 31.476 18.173 5.506) 36.760 8.017 ( 30.035 17.341 -14.189) 37.471 10.475 ( 22.248 12.845 -12.112) 28.401 11.580 ( 1.425 0.823 1.126) 1.993 12.825 ( -11.811 -6.819 31.635) 34.450 12.833 ( -0.403 -0.233 -14.687) 14.695 13.248 ( 11.802 6.814 -21.806) 25.714 15.137 ( 0.310 0.179 -7.964) 7.972 15.581 ( -1.585 -0.915 16.027) 16.131 16.168 ( -0.026 -0.015 -1.427) 1.427 17.239 ( -1.462 -0.844 2.583) 3.086 17.680 ( -13.968 -8.065 14.159) 21.462 19.740 ( -2.897 -1.673 -11.201) 11.690 ======================= Grid point 6 (7/293) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 12.362 7.137 2.936) 14.573 4.249 ( 1.280 0.739 14.525) 14.600 7.726 ( 15.806 9.125 9.480) 20.566 8.701 ( 29.449 17.002 -15.284) 37.281 11.030 ( 25.488 14.716 -21.940) 36.710 11.694 ( 7.478 4.318 1.931) 8.849 12.512 ( -14.663 -8.466 26.305) 31.283 12.945 ( 10.498 6.061 -15.247) 19.479 13.569 ( 15.220 8.787 -14.995) 23.102 15.067 ( -5.521 -3.187 -9.770) 11.666 15.490 ( -7.542 -4.354 21.647) 23.333 16.163 ( -0.490 -0.283 -0.314) 0.647 17.201 ( -1.510 -0.872 0.019) 1.744 17.388 ( -11.351 -6.554 20.234) 24.109 19.674 ( -2.800 -1.617 -13.135) 13.528 ======================= Grid point 7 (8/293) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( -5.492 -3.171 11.981) 13.556 4.451 ( 7.899 4.561 1.389) 9.227 7.972 ( 6.875 3.969 8.493) 11.625 9.322 ( 24.474 14.130 -15.056) 32.021 11.586 ( 21.679 12.516 -17.352) 30.459 11.872 ( 8.442 4.874 -5.483) 11.184 12.184 ( -13.776 -7.954 21.916) 27.081 13.293 ( 19.066 11.008 -14.913) 26.591 13.907 ( 13.919 8.036 -10.016) 18.937 14.918 ( -7.067 -4.080 -8.711) 11.936 15.220 ( -15.933 -9.199 24.301) 30.480 16.143 ( -1.285 -0.742 0.399) 1.537 17.163 ( -4.067 -2.348 -0.600) 4.734 17.191 ( -3.649 -2.107 20.284) 20.717 19.617 ( -2.198 -1.269 -11.818) 12.087 ======================= Grid point 8 (9/293) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( -5.119 -2.955 6.866) 9.059 4.584 ( 3.904 2.254 0.501) 4.536 8.073 ( 2.500 1.443 4.679) 5.497 9.780 ( 14.955 8.634 -10.877) 20.409 11.871 ( 4.551 2.628 0.358) 5.268 11.912 ( -9.396 -5.425 14.204) 17.874 12.165 ( 14.757 8.520 -16.079) 23.429 13.759 ( 21.301 12.298 -16.922) 29.855 14.171 ( 8.588 4.958 -5.162) 11.180 14.747 ( -13.341 -7.702 5.554) 16.375 14.816 ( -12.955 -7.480 13.676) 20.268 16.111 ( -1.330 -0.768 0.498) 1.614 17.076 ( -1.915 -1.106 9.805) 10.051 17.158 ( -1.193 -0.689 2.634) 2.973 19.577 ( -1.238 -0.714 -7.077) 7.220 ======================= Grid point 9 (10/293) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 0.000 0.000 -0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 8.100 ( 0.000 0.000 -0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 11.915 ( -0.000 -0.000 0.000) 0.000 12.353 ( 0.000 0.000 -0.000) 0.000 14.206 ( 0.000 0.000 -0.000) 0.000 14.272 ( 0.000 0.000 -0.000) 0.000 14.319 ( -0.000 -0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 -0.000) 0.000 17.061 ( 0.000 0.000 -0.000) 0.000 17.139 ( -0.000 -0.000 0.000) 0.000 19.563 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/293) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 20.084 34.786 0.000) 40.167 1.932 ( 27.545 47.709 0.000) 55.090 2.967 ( 42.109 72.935 0.000) 84.218 6.474 ( 5.867 10.162 0.000) 11.734 9.780 ( -0.196 -0.339 0.000) 0.391 12.123 ( -6.931 -12.005 0.000) 13.862 12.630 ( 2.995 5.188 0.000) 5.991 13.218 ( -1.984 -3.437 0.000) 3.969 13.649 ( 2.347 4.065 0.000) 4.694 14.778 ( -6.419 -11.118 0.000) 12.838 15.750 ( -1.423 -2.464 0.000) 2.845 16.194 ( -1.797 -3.112 0.000) 3.593 16.821 ( 9.384 16.254 0.000) 18.768 18.672 ( -5.420 -9.388 0.000) 10.840 19.841 ( 0.200 0.347 0.000) 0.401 ======================= Grid point 21 (12/293) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 32.282 19.239 5.633) 38.000 2.834 ( 24.342 44.922 5.642) 51.404 4.432 ( 51.413 58.142 -4.138) 77.724 6.755 ( 11.605 16.950 -5.025) 21.148 9.802 ( 2.753 1.777 4.996) 5.975 11.897 ( -6.684 -10.513 -4.760) 13.336 12.719 ( 0.224 8.347 -6.324) 10.475 13.083 ( -0.668 -17.690 4.240) 18.204 13.636 ( -9.302 3.519 3.603) 10.578 14.727 ( 4.462 5.236 -0.666) 6.912 15.689 ( -1.904 -3.761 0.064) 4.216 16.152 ( 0.886 -4.091 -1.558) 4.466 17.091 ( 6.246 10.425 2.122) 12.337 18.440 ( -9.600 -11.163 1.151) 14.768 19.841 ( -0.362 -0.441 -0.812) 0.993 ======================= Grid point 22 (13/293) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 32.221 8.596 7.805) 34.249 3.619 ( 18.069 39.537 7.962) 44.193 5.794 ( 47.109 44.860 -2.731) 65.109 7.205 ( 17.456 23.942 -8.821) 30.915 9.937 ( 9.164 6.269 3.170) 11.547 11.692 ( -6.072 -8.393 -3.411) 10.906 12.789 ( 1.792 -3.942 -11.073) 11.889 12.919 ( 0.233 -5.947 8.349) 10.253 13.456 ( -14.192 3.690 1.510) 14.742 14.942 ( 9.006 9.308 -1.229) 13.011 15.618 ( -1.520 -4.342 2.963) 5.471 16.141 ( 1.787 -2.840 -2.007) 3.910 17.233 ( 2.010 4.433 3.404) 5.940 18.138 ( -12.045 -11.920 4.115) 17.439 19.815 ( -1.492 -1.783 -3.988) 4.616 ======================= Grid point 23 (14/293) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 27.238 1.351 8.606) 28.597 4.199 ( 7.895 32.181 8.672) 34.252 6.867 ( 34.351 30.043 2.109) 45.684 7.806 ( 21.987 28.550 -11.223) 37.742 10.257 ( 17.764 12.380 -5.607) 22.367 11.557 ( -1.103 -4.545 -0.123) 4.679 12.704 ( 3.224 -12.735 -10.172) 16.615 12.966 ( -2.735 4.135 24.665) 25.158 13.303 ( -6.409 9.240 -18.319) 21.495 15.131 ( 3.139 4.901 -5.582) 8.065 15.563 ( 0.127 -4.091 10.688) 11.445 16.154 ( 1.660 -0.784 -1.362) 2.285 17.258 ( -1.219 0.238 2.984) 3.232 17.809 ( -12.505 -11.621 9.474) 19.524 19.756 ( -2.252 -3.381 -8.150) 9.106 ======================= Grid point 24 (15/293) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 19.905 -4.044 9.576) 22.456 4.519 ( -2.897 25.510 7.133) 26.646 7.546 ( 19.348 16.208 7.375) 26.295 8.484 ( 23.146 29.335 -12.770) 39.488 10.761 ( 23.514 16.049 -17.462) 33.398 11.585 ( 6.678 -0.326 2.698) 7.210 12.677 ( -0.300 -4.895 4.127) 6.410 12.845 ( -5.944 1.509 11.520) 13.050 13.478 ( 9.493 13.786 -19.994) 26.075 15.130 ( -4.490 -1.113 -9.924) 10.949 15.517 ( -1.759 -5.540 18.583) 19.471 16.174 ( 0.368 1.080 -0.218) 1.161 17.220 ( -1.977 -1.083 1.066) 2.494 17.498 ( -11.016 -10.126 16.065) 21.954 19.678 ( -1.934 -4.953 -11.415) 12.592 ======================= Grid point 25 (16/293) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( 9.868 -8.965 11.188) 17.404 4.651 ( -7.690 22.782 3.032) 24.235 7.891 ( 8.982 7.394 8.802) 14.588 9.137 ( 20.417 26.159 -13.629) 35.873 11.329 ( 23.891 15.341 -21.992) 35.913 11.726 ( 8.911 -0.943 1.860) 9.152 12.477 ( -18.198 5.676 21.532) 28.758 13.006 ( 18.752 0.903 -11.693) 22.118 13.811 ( 11.906 14.587 -13.923) 23.418 14.996 ( -7.141 -4.303 -10.003) 13.022 15.348 ( -9.727 -9.611 22.255) 26.120 16.181 ( -1.626 2.241 0.606) 2.834 17.184 ( -1.300 -0.942 -2.617) 3.070 17.251 ( -7.484 -6.989 22.066) 24.326 19.599 ( -0.654 -6.280 -12.150) 13.693 ======================= Grid point 26 (17/293) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 1.384 -9.957 9.497) 13.830 4.740 ( -7.242 21.036 0.246) 22.249 8.041 ( 3.651 2.917 6.369) 7.899 9.665 ( 14.245 19.482 -12.097) 26.997 11.761 ( 7.466 1.739 0.020) 7.666 11.909 ( 16.932 5.542 -13.508) 22.358 12.258 ( -16.386 12.595 11.672) 23.736 13.405 ( 25.013 1.357 -12.664) 28.069 14.126 ( 8.137 11.963 -9.207) 17.149 14.829 ( -6.439 -5.076 -7.694) 11.243 15.012 ( -16.539 -10.509 23.503) 30.600 16.164 ( -3.164 2.984 0.880) 4.437 17.099 ( -3.181 -3.131 10.734) 11.625 17.167 ( -0.971 -1.070 5.364) 5.555 19.537 ( 1.101 -7.052 -9.462) 11.852 ======================= Grid point 27 (18/293) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 1.289 -7.306 3.613) 8.252 4.803 ( -8.828 18.838 -0.113) 20.804 8.095 ( 0.971 0.729 2.249) 2.555 9.973 ( 3.803 10.228 -5.337) 12.148 11.782 ( 0.296 -2.503 2.965) 3.891 12.096 ( -9.397 15.789 4.291) 18.868 12.289 ( 7.256 3.135 -8.150) 11.353 13.844 ( 25.169 -1.927 -12.784) 28.295 14.238 ( -3.050 -4.656 1.326) 5.722 14.625 ( -12.892 1.507 8.415) 15.469 14.751 ( -4.286 -0.150 1.693) 4.611 16.142 ( -3.128 3.887 0.448) 5.009 17.060 ( -0.104 -0.460 5.356) 5.377 17.139 ( -0.688 -1.227 0.953) 1.700 19.501 ( 2.959 -6.985 -3.603) 8.398 ======================= Grid point 39 (19/293) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 13.976 24.208 0.000) 27.953 3.669 ( 22.548 39.055 0.000) 45.097 5.604 ( 33.813 58.566 0.000) 67.627 7.187 ( 15.313 26.523 0.000) 30.626 9.886 ( 4.333 7.506 0.000) 8.667 11.698 ( -5.534 -9.585 0.000) 11.067 12.759 ( -7.818 -13.542 0.000) 15.637 12.880 ( 4.109 7.117 0.000) 8.218 13.613 ( -2.770 -4.797 0.000) 5.539 14.910 ( 6.832 11.833 0.000) 13.664 15.605 ( -2.594 -4.494 0.000) 5.189 16.100 ( -0.602 -1.042 0.000) 1.203 17.243 ( 2.718 4.708 0.000) 5.436 18.182 ( -8.470 -14.671 0.000) 16.940 19.819 ( -1.160 -2.009 0.000) 2.319 ======================= Grid point 40 (20/293) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 18.779 12.989 3.915) 23.167 4.344 ( 14.185 33.177 3.261) 36.229 6.658 ( 30.355 41.040 0.206) 51.047 7.778 ( 18.800 33.210 -4.350) 38.410 10.126 ( 12.129 13.570 -1.243) 18.243 11.535 ( -3.178 -6.917 -0.326) 7.619 12.559 ( -1.181 -10.514 -4.014) 11.316 13.021 ( 3.168 8.310 7.831) 11.850 13.492 ( -7.167 0.088 -5.239) 8.878 15.128 ( 5.063 8.726 -2.109) 10.306 15.522 ( -1.338 -5.155 3.764) 6.521 16.108 ( 2.091 -0.232 -0.490) 2.160 17.281 ( -0.740 0.342 1.292) 1.528 17.875 ( -10.300 -14.454 3.300) 18.053 19.758 ( -2.403 -4.166 -2.952) 5.643 ======================= Grid point 41 (21/293) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 17.585 4.490 6.781) 19.375 4.790 ( 3.294 27.497 3.814) 27.955 7.405 ( 19.738 23.674 3.652) 31.039 8.453 ( 19.663 35.847 -7.030) 41.486 10.559 ( 19.352 18.125 -9.521) 28.173 11.485 ( 3.078 -2.258 1.769) 4.208 12.514 ( 5.599 -6.155 -6.650) 10.652 13.084 ( -8.477 8.718 26.763) 29.396 13.474 ( 4.164 7.508 -22.869) 24.428 15.201 ( -3.260 1.720 -9.236) 9.944 15.464 ( 0.507 -5.996 13.443) 14.729 16.158 ( 2.771 1.494 0.124) 3.151 17.245 ( -2.154 -1.406 1.072) 2.787 17.563 ( -9.998 -13.029 8.809) 18.637 19.658 ( -2.828 -6.795 -6.662) 9.927 ======================= Grid point 42 (22/293) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 12.132 -3.342 9.131) 15.547 5.022 ( -5.550 25.756 1.942) 26.419 7.820 ( 9.951 11.282 6.666) 16.454 9.119 ( 17.344 33.715 -8.734) 38.908 11.094 ( 21.859 17.142 -18.516) 33.384 11.578 ( 7.548 0.198 3.860) 8.480 12.631 ( 11.170 -0.416 -5.371) 12.401 12.959 ( -14.185 11.243 20.545) 27.382 13.744 ( 12.836 12.890 -18.320) 25.817 15.083 ( -7.907 -3.968 -11.757) 14.713 15.369 ( -4.064 -9.301 18.995) 21.537 16.218 ( 1.010 3.390 0.919) 3.655 17.199 ( -1.594 -1.031 -0.760) 2.045 17.296 ( -7.552 -9.936 15.285) 19.733 19.536 ( -1.716 -9.576 -9.389) 13.520 ======================= Grid point 43 (23/293) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.854 ( 5.503 -9.830 9.439) 14.697 5.150 ( -9.748 28.046 -0.268) 29.693 8.009 ( 4.285 4.342 6.434) 8.866 9.676 ( 11.981 27.241 -8.979) 31.084 11.616 ( 20.419 13.231 -18.309) 30.450 11.696 ( 6.917 -1.195 2.339) 7.399 12.714 ( -14.522 16.839 13.147) 25.832 13.024 ( 16.867 2.707 -5.219) 17.862 14.089 ( 10.815 12.311 -12.757) 20.767 14.889 ( -7.628 -6.720 -10.562) 14.659 15.139 ( -10.394 -10.697 21.231) 25.946 16.252 ( -1.807 4.931 1.302) 5.411 17.119 ( -3.791 -5.176 8.675) 10.790 17.173 ( -1.048 -0.985 6.852) 7.002 19.420 ( 0.820 -11.950 -9.540) 15.313 ======================= Grid point 44 (24/293) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 3.203 -11.736 5.988) 13.559 5.245 ( -12.811 29.615 -0.739) 32.276 8.080 ( 1.724 0.801 3.712) 4.171 10.042 ( 4.352 18.077 -6.173) 19.591 11.743 ( 2.142 -0.872 2.499) 3.405 12.061 ( 17.094 6.109 -12.444) 22.008 12.613 ( -19.282 23.753 8.198) 31.673 13.408 ( 23.836 0.304 -9.193) 25.549 14.243 ( -1.696 -2.831 -2.369) 4.063 14.714 ( -5.063 -6.517 -5.952) 10.175 14.901 ( -7.775 1.264 13.450) 15.587 16.258 ( -3.810 6.428 1.165) 7.563 17.055 ( -0.330 -1.231 7.335) 7.445 17.142 ( -1.323 -1.462 2.896) 3.503 19.337 ( 4.101 -13.119 -6.161) 15.063 ======================= Grid point 45 (25/293) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 5.856 -10.143 -0.000) 11.713 5.283 ( -16.530 28.630 0.000) 33.060 8.097 ( 0.398 -0.689 -0.000) 0.796 10.170 ( -5.674 9.827 -0.000) 11.348 11.755 ( 0.518 -0.897 -0.000) 1.036 12.259 ( 2.943 -5.098 0.000) 5.887 12.552 ( -16.695 28.916 0.000) 33.390 13.709 ( 6.954 -12.044 0.000) 13.907 14.091 ( 2.770 -4.797 0.000) 5.539 14.630 ( 1.393 -2.413 -0.000) 2.786 14.874 ( -5.373 9.306 -0.000) 10.746 16.256 ( -4.267 7.391 0.000) 8.535 17.056 ( 0.014 -0.025 0.000) 0.029 17.115 ( 0.558 -0.966 -0.000) 1.115 19.307 ( 7.212 -12.491 0.000) 14.423 ======================= Grid point 59 (26/293) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 7.648 13.247 0.000) 15.296 4.904 ( 13.617 23.586 0.000) 27.234 7.352 ( 16.513 28.601 0.000) 33.026 8.470 ( 20.876 36.159 0.000) 41.753 10.479 ( 12.642 21.896 0.000) 25.284 11.446 ( -0.854 -1.478 0.000) 1.707 12.431 ( -1.428 -2.473 0.000) 2.856 13.212 ( 6.298 10.908 0.000) 12.596 13.473 ( -0.584 -1.012 0.000) 1.168 15.248 ( 1.381 2.392 0.000) 2.762 15.418 ( -3.098 -5.366 0.000) 6.196 16.135 ( 1.745 3.022 0.000) 3.490 17.258 ( -1.254 -2.171 0.000) 2.507 17.584 ( -8.511 -14.742 0.000) 17.022 19.648 ( -4.048 -7.012 0.000) 8.097 ======================= Grid point 60 (27/293) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 7.700 3.176 3.572) 9.063 5.281 ( 4.673 22.695 0.644) 23.180 7.779 ( 9.461 14.201 2.498) 17.245 9.165 ( 18.373 35.365 -2.814) 39.952 10.945 ( 16.351 20.025 -7.363) 26.881 11.487 ( 4.479 2.779 1.803) 5.571 12.461 ( 6.084 0.660 -2.984) 6.809 13.330 ( -10.399 16.195 23.784) 30.595 13.602 ( 15.364 6.271 -21.918) 27.491 15.183 ( -7.709 -3.992 -11.390) 14.321 15.318 ( -1.246 -9.025 13.681) 16.437 16.217 ( 3.024 4.409 0.463) 5.366 17.214 ( -1.428 -1.498 -0.103) 2.072 17.315 ( -7.225 -11.669 5.498) 14.785 19.487 ( -4.451 -10.512 -3.557) 11.957 ======================= Grid point 61 (28/293) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 4.314 -6.661 5.903) 9.890 5.541 ( -2.183 26.981 -0.416) 27.072 7.983 ( 4.189 5.155 4.248) 7.885 9.760 ( 12.584 30.285 -4.056) 33.045 11.401 ( 17.771 13.054 -13.174) 25.686 11.613 ( 5.264 3.721 2.533) 6.926 12.655 ( 14.035 3.279 -4.331) 15.050 13.294 ( -14.441 22.026 17.434) 31.585 13.983 ( 15.819 11.395 -15.407) 24.849 14.960 ( -9.622 -8.913 -12.644) 18.218 15.160 ( -5.238 -11.413 17.923) 21.884 16.308 ( 1.433 5.616 0.939) 5.872 17.125 ( -3.936 -6.735 5.946) 9.808 17.184 ( -1.057 -0.606 3.815) 4.004 19.301 ( -2.677 -14.233 -6.204) 15.756 ======================= Grid point 62 (29/293) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( 2.497 -12.433 5.450) 13.803 5.744 ( -8.151 31.754 -1.065) 32.801 8.052 ( 1.846 -0.221 3.707) 4.147 10.169 ( 4.816 22.244 -3.538) 23.033 11.693 ( 4.280 0.858 2.833) 5.204 11.823 ( 16.402 6.952 -13.362) 22.269 12.969 ( 14.711 7.491 -4.277) 17.053 13.292 ( -12.704 26.089 10.283) 30.786 14.234 ( 1.854 0.867 -6.911) 7.208 14.726 ( -5.874 -9.805 -11.308) 16.079 14.980 ( -3.130 -3.972 15.470) 16.275 16.372 ( -1.149 7.266 1.296) 7.469 17.047 ( -0.584 -1.824 6.313) 6.597 17.157 ( -1.658 -0.779 3.531) 3.978 19.132 ( 1.484 -17.198 -6.283) 18.369 ======================= Grid point 63 (30/293) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 4.827 -12.964 2.194) 14.006 5.870 ( -14.957 32.828 -0.534) 36.078 8.063 ( 1.675 -2.801 1.438) 3.566 10.364 ( -2.928 14.685 -1.413) 15.041 11.738 ( 1.095 0.188 1.140) 1.592 12.091 ( 10.785 -3.110 -5.539) 12.517 13.173 ( -14.406 30.917 1.668) 34.149 13.450 ( 11.687 4.457 -2.915) 12.844 14.075 ( -8.085 -10.255 3.881) 13.624 14.572 ( -0.932 -7.994 -4.390) 9.168 15.002 ( 0.145 5.902 3.108) 6.672 16.412 ( -3.812 9.069 0.725) 9.864 17.052 ( 0.998 0.828 2.402) 2.729 17.112 ( -1.822 -1.415 1.818) 2.937 19.029 ( 7.059 -17.800 -2.735) 19.343 ======================= Grid point 78 (31/293) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( -1.359 -2.353 0.000) 2.718 5.700 ( 11.666 20.205 0.000) 23.331 7.971 ( 3.300 5.716 0.000) 6.600 9.807 ( 16.781 29.065 0.000) 33.561 11.308 ( 9.471 16.404 0.000) 18.942 11.586 ( 3.752 6.498 0.000) 7.503 12.545 ( 4.688 8.120 0.000) 9.377 13.625 ( 5.483 9.496 0.000) 10.965 13.816 ( 10.889 18.861 0.000) 21.779 15.015 ( -7.631 -13.217 0.000) 15.261 15.130 ( -5.432 -9.408 0.000) 10.863 16.321 ( 3.320 5.751 0.000) 6.641 17.125 ( -4.134 -7.161 0.000) 8.269 17.191 ( -0.457 -0.792 0.000) 0.915 19.251 ( -7.605 -13.172 0.000) 15.209 ======================= Grid point 79 (32/293) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -1.813 -10.113 2.187) 10.504 6.078 ( 4.858 27.155 -0.568) 27.592 8.021 ( 0.530 -1.219 1.648) 2.117 10.282 ( 8.753 22.351 -0.779) 24.016 11.590 ( 9.541 7.014 -1.752) 11.970 11.713 ( 4.635 5.054 -2.891) 7.443 12.784 ( 12.396 10.347 -2.180) 16.293 13.767 ( -6.296 23.806 11.251) 27.073 14.187 ( 9.246 8.979 -9.219) 15.846 14.721 ( -7.979 -14.891 -8.774) 19.036 14.957 ( -2.725 -8.276 10.028) 13.284 16.432 ( 2.340 6.958 0.530) 7.360 17.040 ( -0.776 -1.831 2.644) 3.309 17.176 ( -0.973 -0.306 1.555) 1.860 18.985 ( -5.250 -17.500 -2.780) 18.481 ======================= Grid point 80 (33/293) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 0.850 -12.544 1.976) 12.727 6.374 ( -4.977 31.598 -0.749) 31.996 7.990 ( 1.040 -6.309 1.553) 6.580 10.544 ( 0.287 15.914 -0.441) 15.923 11.722 ( 2.022 1.945 2.819) 3.978 11.877 ( 10.289 -1.024 -7.185) 12.591 13.148 ( 16.603 11.494 -4.915) 20.783 13.875 ( -14.105 30.000 11.633) 35.132 14.133 ( -9.837 -8.813 1.182) 13.260 14.510 ( -3.187 -11.904 -12.886) 17.830 14.975 ( 6.891 1.574 5.719) 9.092 16.539 ( 0.322 9.729 0.739) 9.762 17.044 ( 0.974 1.191 1.794) 2.363 17.143 ( -2.526 -0.560 2.668) 3.716 18.757 ( 1.345 -20.364 -3.098) 20.643 ======================= Grid point 81 (34/293) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 6.160 -10.669 -0.000) 12.320 6.494 ( -16.984 29.417 0.000) 33.967 7.962 ( 4.289 -7.429 -0.000) 8.579 10.622 ( -6.562 11.366 -0.000) 13.125 11.746 ( -0.317 0.550 -0.000) 0.635 11.967 ( 4.765 -8.253 0.000) 9.530 13.455 ( 0.424 -0.735 -0.000) 0.848 13.770 ( -9.890 17.131 0.000) 19.781 14.031 ( -7.974 13.811 0.000) 15.948 14.402 ( 5.211 -9.025 -0.000) 10.421 15.061 ( 0.402 -0.697 -0.000) 0.804 16.600 ( -5.416 9.380 0.000) 10.831 17.081 ( -0.816 1.413 0.000) 1.631 17.093 ( -0.062 0.107 -0.000) 0.124 18.663 ( 10.629 -18.409 0.000) 21.257 ======================= Grid point 98 (35/293) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( -5.477 -9.487 0.000) 10.955 6.587 ( 13.765 23.841 0.000) 27.529 7.940 ( -3.836 -6.643 0.000) 7.671 10.629 ( 7.398 12.814 0.000) 14.797 11.709 ( 2.834 4.909 0.000) 5.669 11.778 ( 1.148 1.989 0.000) 2.297 13.058 ( 9.698 16.798 0.000) 19.397 14.110 ( 4.111 7.120 0.000) 8.221 14.291 ( -1.400 -2.426 0.000) 2.801 14.447 ( -4.039 -6.996 0.000) 8.078 14.883 ( 1.072 1.856 0.000) 2.144 16.585 ( 4.952 8.577 0.000) 9.904 17.042 ( 0.843 1.461 0.000) 1.687 17.167 ( -0.488 -0.844 0.000) 0.975 18.635 ( -9.866 -17.089 0.000) 19.732 ======================= Grid point 99 (36/293) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.168 -8.103 0.280) 8.109 6.964 ( -1.966 27.790 -0.242) 27.861 7.795 ( 0.795 -13.634 0.345) 13.661 10.792 ( -0.609 8.997 0.060) 9.018 11.760 ( -0.216 1.590 1.989) 2.556 11.820 ( 4.173 -3.532 -2.664) 6.082 13.397 ( 10.232 12.398 -2.007) 16.200 13.967 ( -12.592 -5.465 2.384) 13.932 14.205 ( 3.617 -9.989 4.568) 11.564 14.473 ( -8.992 20.237 -6.225) 23.003 14.972 ( 6.452 -3.154 1.285) 7.295 16.744 ( 0.978 9.993 0.073) 10.041 17.081 ( 1.413 2.298 -0.461) 2.737 17.135 ( -2.655 -0.314 1.432) 3.033 18.368 ( 0.620 -17.481 -0.694) 17.505 ======================= Grid point 117 (37/293) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -0.000 -0.000 0.000) 0.000 7.451 ( -10.636 -18.422 0.000) 21.272 7.451 ( 10.636 18.422 0.000) 21.272 10.884 ( -0.000 -0.000 0.000) 0.000 11.778 ( -0.235 -0.408 0.000) 0.471 11.778 ( 0.235 0.408 0.000) 0.471 13.544 ( -0.000 -0.000 0.000) 0.000 13.985 ( -4.051 -7.016 0.000) 8.102 13.985 ( 4.051 7.016 0.000) 8.102 14.820 ( -6.355 -11.008 0.000) 12.711 14.820 ( 6.355 11.008 0.000) 12.711 16.859 ( -0.000 -0.000 0.000) 0.000 17.122 ( -0.689 -1.193 0.000) 1.378 17.122 ( 0.689 1.193 0.000) 1.378 18.169 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 343 (38/293) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 0.000 45.386) 45.386 0.986 ( 0.000 -0.000 45.386) 45.386 1.392 ( 0.000 0.000 66.005) 66.005 6.424 ( 0.000 0.000 12.844) 12.844 6.424 ( 0.000 -0.000 12.844) 12.844 12.117 ( 0.000 -0.000 -32.185) 32.185 12.117 ( 0.000 0.000 -32.185) 32.185 13.938 ( 0.000 0.000 23.981) 23.981 13.938 ( -0.000 0.000 23.981) 23.981 14.639 ( 0.000 0.000 -20.548) 20.548 15.955 ( 0.000 0.000 12.235) 12.235 16.234 ( 0.000 0.000 -3.545) 3.545 16.234 ( 0.000 -0.000 -3.545) 3.545 18.822 ( -0.000 0.000 -3.914) 3.914 20.273 ( -0.000 0.000 4.198) 4.198 ======================= Grid point 344 (39/293) ======================= q-point: ( 0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 37.108 21.424 28.348) 51.377 1.507 ( 31.066 17.936 33.274) 48.927 2.041 ( 51.708 29.854 37.174) 70.334 6.409 ( 1.967 1.136 9.941) 10.197 8.719 ( 74.125 42.796 -60.625) 104.887 12.090 ( -0.034 -0.019 -31.872) 31.872 12.399 ( 10.042 5.798 -21.613) 24.527 13.204 ( -25.825 -14.910 19.746) 35.765 14.015 ( 1.987 1.147 26.263) 26.363 14.609 ( -9.907 -5.720 -25.176) 27.653 15.816 ( -6.397 -3.693 2.762) 7.886 16.184 ( -2.589 -1.495 -5.230) 6.024 16.535 ( 16.249 9.381 -0.657) 18.774 18.863 ( -0.355 -0.205 3.025) 3.052 20.084 ( -7.764 -4.482 13.988) 16.615 ======================= Grid point 345 (40/293) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 33.154 19.141 20.914) 43.623 2.338 ( 37.907 21.885 20.976) 48.538 3.433 ( 65.504 37.819 10.486) 76.361 6.523 ( 8.359 4.826 7.335) 12.123 9.632 ( 20.201 11.663 -18.281) 29.637 12.124 ( 3.218 1.858 -31.150) 31.370 12.192 ( -17.655 -10.193 15.822) 25.806 13.146 ( 4.507 2.602 -19.563) 20.244 14.017 ( -2.029 -1.171 27.872) 27.971 14.383 ( -4.507 -2.602 -24.377) 24.927 15.710 ( -3.132 -1.808 -2.247) 4.258 16.126 ( -2.253 -1.301 -6.280) 6.798 16.858 ( 11.476 6.626 -5.183) 14.229 18.778 ( -6.262 -3.615 13.058) 14.927 19.957 ( -4.763 -2.750 8.591) 10.201 ======================= Grid point 346 (41/293) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 28.617 16.522 12.228) 35.234 3.175 ( 34.911 20.156 14.713) 42.913 4.900 ( 62.252 35.941 -0.011) 71.882 6.802 ( 16.330 9.428 4.987) 19.504 9.934 ( 9.113 5.261 0.702) 10.546 11.857 ( -11.255 -6.498 8.977) 15.796 12.244 ( 7.434 4.292 -29.855) 31.065 13.030 ( -12.697 -7.331 -10.347) 17.945 13.915 ( -6.912 -3.991 28.387) 29.488 14.511 ( 12.982 7.495 -23.317) 27.720 15.669 ( -0.282 -0.163 -2.841) 2.860 16.091 ( -0.742 -0.429 -6.129) 6.189 17.042 ( 4.637 2.677 -10.455) 11.746 18.609 ( -8.148 -4.704 20.215) 22.298 19.833 ( -6.413 -3.703 1.787) 7.618 ======================= Grid point 347 (42/293) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 21.597 12.469 5.866) 25.619 3.883 ( 26.437 15.263 11.051) 32.466 6.212 ( 52.245 30.164 -4.068) 60.464 7.263 ( 23.899 13.798 2.536) 27.713 10.118 ( 8.028 4.635 4.742) 10.412 11.679 ( -4.353 -2.513 6.394) 8.133 12.463 ( 11.743 6.780 -28.015) 31.124 12.724 ( -11.972 -6.912 -9.660) 16.865 13.709 ( -10.956 -6.325 28.246) 30.950 14.798 ( 9.588 5.536 -17.218) 20.470 15.715 ( 4.621 2.668 0.966) 5.422 16.092 ( 0.749 0.432 -4.943) 5.018 17.077 ( -1.023 -0.591 -14.077) 14.126 18.419 ( -8.617 -4.975 25.799) 27.651 19.667 ( -7.912 -4.568 -5.622) 10.727 ======================= Grid point 348 (43/293) ======================= q-point: ( 0.28 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 15.218 8.786 1.514) 17.637 4.342 ( 13.526 7.809 9.246) 18.150 7.235 ( 37.052 21.392 -2.141) 42.838 7.861 ( 27.976 16.152 -0.467) 32.307 10.327 ( 10.906 6.297 -1.829) 12.726 11.667 ( 3.104 1.792 7.176) 8.021 12.547 ( -2.730 -1.576 -12.468) 12.860 12.758 ( 13.011 7.512 -24.828) 29.020 13.445 ( -11.035 -6.371 27.440) 30.254 14.901 ( -0.027 -0.015 -14.049) 14.049 15.848 ( 5.144 2.970 8.994) 10.779 16.116 ( 1.171 0.676 -3.470) 3.724 17.034 ( -1.669 -0.964 -14.324) 14.453 18.210 ( -9.944 -5.741 28.671) 30.885 19.493 ( -7.015 -4.050 -12.298) 14.726 ======================= Grid point 349 (44/293) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 10.562 6.098 -1.090) 12.244 4.495 ( 0.366 0.211 8.403) 8.414 7.878 ( 19.574 11.301 4.527) 23.051 8.500 ( 27.602 15.936 -3.907) 32.110 10.647 ( 17.961 10.370 -13.760) 24.889 11.779 ( 5.463 3.154 6.383) 8.974 12.626 ( 9.728 5.617 -15.181) 18.885 12.879 ( -6.836 -3.947 1.556) 8.045 13.380 ( 9.573 5.527 4.279) 11.854 14.839 ( -4.587 -2.649 -12.410) 13.493 15.862 ( -4.898 -2.828 14.469) 15.536 16.136 ( 0.443 0.255 -2.224) 2.282 17.040 ( 2.278 1.315 -9.227) 9.594 17.965 ( -11.422 -6.594 28.387) 31.301 19.367 ( -3.693 -2.132 -15.964) 16.524 ======================= Grid point 350 (45/293) ======================= q-point: ( 0.39 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( -8.011 -4.625 7.403) 11.848 4.440 ( 6.929 4.000 -2.414) 8.357 8.157 ( 6.109 3.527 8.989) 11.426 9.092 ( 24.017 13.866 -6.958) 28.592 11.145 ( 25.105 14.495 -21.864) 36.310 11.880 ( 3.363 1.942 4.283) 5.781 12.596 ( -15.028 -8.676 16.776) 24.136 12.951 ( 17.370 10.029 -17.862) 26.858 13.715 ( 16.355 9.443 -7.652) 20.377 14.726 ( -4.795 -2.769 -10.117) 11.533 15.629 ( -14.965 -8.640 15.413) 23.156 16.133 ( -0.776 -0.448 -1.347) 1.618 17.103 ( 2.337 1.349 -2.513) 3.687 17.705 ( -11.215 -6.475 25.810) 28.876 19.333 ( 0.739 0.427 -15.230) 15.254 ======================= Grid point 351 (46/293) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -9.618 -5.553 5.045) 12.197 4.558 ( 3.440 1.986 -2.969) 4.959 8.207 ( -0.823 -0.475 8.230) 8.284 9.577 ( 18.417 10.633 -8.092) 22.754 11.732 ( 24.957 14.409 -22.450) 36.530 11.938 ( 1.820 1.051 4.161) 4.661 12.244 ( -15.486 -8.941 17.135) 24.766 13.358 ( 17.861 10.312 -21.717) 29.950 14.052 ( 12.427 7.175 -6.189) 15.628 14.640 ( -2.721 -1.571 -6.984) 7.658 15.216 ( -20.278 -11.708 16.127) 28.431 16.106 ( -1.392 -0.804 -0.938) 1.861 17.129 ( 0.098 0.057 -0.245) 0.270 17.455 ( -10.989 -6.345 20.763) 24.334 19.397 ( 4.693 2.709 -10.169) 11.523 ======================= Grid point 352 (47/293) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( -5.896 -3.404 0.707) 6.845 4.594 ( -0.332 -0.192 -3.226) 3.248 8.146 ( -4.224 -2.439 4.541) 6.664 9.907 ( 9.859 5.692 -4.490) 12.237 11.914 ( -12.849 -7.418 10.698) 18.292 11.947 ( -0.549 -0.317 2.082) 2.176 12.212 ( 14.854 8.576 -11.909) 20.881 13.763 ( 18.199 10.507 -26.875) 34.115 14.250 ( 4.610 2.661 -2.129) 5.733 14.502 ( -15.142 -8.742 1.015) 17.514 14.850 ( -5.535 -3.196 12.527) 14.063 16.081 ( -0.545 -0.314 -1.166) 1.325 17.126 ( -0.027 -0.016 -0.444) 0.445 17.200 ( -11.206 -6.470 12.130) 17.736 19.530 ( 6.537 3.774 -3.261) 8.223 ======================= Grid point 354 (48/293) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( -0.616 -0.356 -5.012) 5.062 4.541 ( -4.442 -2.565 -3.569) 6.249 8.020 ( -6.894 -3.981 -0.328) 7.968 9.976 ( -4.859 -2.805 6.895) 8.889 11.709 ( -4.061 -2.345 -4.384) 6.419 11.901 ( -3.657 -2.111 2.956) 5.154 12.353 ( -2.875 -1.660 1.575) 3.674 14.006 ( -20.588 -11.887 0.644) 23.782 14.220 ( 18.066 10.430 -23.605) 31.502 14.257 ( -3.780 -2.182 3.103) 5.355 14.913 ( 7.053 4.072 8.244) 11.588 16.086 ( 0.959 0.553 -1.789) 2.104 16.961 ( -9.075 -5.240 0.626) 10.498 17.148 ( 2.140 1.235 0.004) 2.471 19.678 ( 6.181 3.569 2.522) 7.570 ======================= Grid point 355 (49/293) ======================= q-point: (-0.39 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 1.569 0.906 -10.343) 10.500 4.390 ( -8.855 -5.113 -4.223) 11.063 7.825 ( -10.536 -6.083 -5.483) 13.344 9.678 ( -20.528 -11.852 18.482) 30.057 11.740 ( 5.980 3.452 -20.331) 21.471 11.780 ( -6.978 -4.029 5.490) 9.750 12.101 ( -18.321 -10.578 10.844) 23.773 13.537 ( -18.171 -10.491 7.813) 22.390 14.102 ( -9.120 -5.265 8.689) 13.653 14.657 ( 17.860 10.311 -29.073) 35.644 15.095 ( 8.084 4.668 8.921) 12.912 16.117 ( 1.509 0.871 -2.081) 2.714 16.805 ( -4.472 -2.582 -13.162) 14.139 17.243 ( 6.664 3.847 3.971) 8.659 19.802 ( 4.650 2.684 6.032) 8.075 ======================= Grid point 356 (50/293) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( -2.383 -1.376 -13.216) 13.499 4.135 ( -13.692 -7.905 -5.129) 16.621 7.522 ( -16.747 -9.669 -9.692) 21.631 9.102 ( -28.841 -16.651 23.053) 40.503 11.477 ( -26.382 -15.232 19.981) 36.431 11.693 ( -8.691 -5.017 1.552) 10.154 11.928 ( 9.487 5.477 -29.765) 31.717 13.223 ( -9.095 -5.251 11.056) 15.250 13.876 ( -10.104 -5.834 14.283) 18.443 14.984 ( 9.987 5.766 -26.271) 28.691 15.252 ( 5.571 3.217 7.941) 10.220 16.148 ( 1.211 0.699 -1.747) 2.238 16.757 ( 0.189 0.109 -24.264) 24.265 17.461 ( 12.317 7.111 9.321) 17.005 19.887 ( 2.848 1.644 7.401) 8.099 ======================= Grid point 357 (51/293) ======================= q-point: (-0.28 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -19.230 -11.102 -5.766) 22.941 3.798 ( -11.774 -6.798 -12.083) 18.190 7.029 ( -27.550 -15.906 -10.461) 33.488 8.416 ( -30.605 -17.670 24.036) 42.738 10.775 ( -31.788 -18.353 15.466) 39.831 11.627 ( 1.812 1.046 5.859) 6.222 12.132 ( 7.837 4.525 -35.498) 36.634 13.116 ( -0.692 -0.399 12.026) 12.053 13.673 ( -7.101 -4.100 19.386) 21.049 15.060 ( -3.881 -2.241 -19.049) 19.569 15.376 ( 6.009 3.469 0.322) 6.946 16.172 ( 0.950 0.548 -1.015) 1.495 16.804 ( 3.439 1.985 -27.538) 27.823 17.784 ( 15.520 8.961 12.980) 22.128 19.933 ( 1.247 0.720 7.293) 7.434 ======================= Grid point 358 (52/293) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -25.381 -14.654 -5.006) 29.732 3.406 ( -22.437 -12.954 -6.453) 26.700 6.235 ( -42.700 -24.653 -5.205) 49.579 7.749 ( -27.351 -15.791 23.503) 39.368 10.123 ( -24.453 -14.118 6.605) 28.998 11.772 ( 10.693 6.174 9.135) 15.359 12.262 ( 3.347 1.933 -37.787) 37.984 13.168 ( 4.563 2.635 9.719) 11.055 13.572 ( -1.607 -0.928 22.124) 22.201 14.847 ( -13.403 -7.738 -19.150) 24.622 15.515 ( 5.837 3.370 -3.738) 7.707 16.195 ( 1.060 0.612 -0.314) 1.263 16.880 ( 2.478 1.431 -23.369) 23.543 18.141 ( 15.416 8.900 14.075) 22.693 19.948 ( 0.160 0.092 6.795) 6.798 ======================= Grid point 359 (53/293) ======================= q-point: (-0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -30.849 -17.811 -1.218) 35.643 2.801 ( -30.053 -17.351 3.434) 34.871 5.099 ( -56.509 -32.626 4.759) 65.425 7.197 ( -20.988 -12.117 21.765) 32.574 9.675 ( -15.614 -9.015 -6.604) 19.201 12.094 ( 17.233 9.950 15.001) 24.920 12.288 ( -0.791 -0.457 -36.169) 36.181 13.266 ( 1.548 0.894 0.848) 1.978 13.594 ( 3.151 1.819 21.593) 21.897 14.531 ( -11.706 -6.759 -23.582) 27.181 15.634 ( 4.679 2.701 -3.762) 6.583 16.221 ( 1.217 0.702 -0.094) 1.408 16.885 ( -2.593 -1.497 -15.838) 16.119 18.467 ( 13.042 7.530 12.739) 19.725 19.948 ( 0.133 0.077 7.361) 7.362 ======================= Grid point 360 (54/293) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -32.838 -18.959 7.861) 38.724 2.083 ( -32.034 -18.495 18.183) 41.217 3.714 ( -64.120 -37.020 16.884) 75.940 6.800 ( -14.043 -8.108 19.066) 25.029 9.339 ( -16.983 -9.805 -25.980) 32.551 12.244 ( -2.721 -1.571 -33.764) 33.910 12.547 ( 22.483 12.980 27.933) 38.134 13.089 ( -17.989 -10.386 -24.360) 32.014 13.695 ( 5.317 3.070 20.872) 21.756 14.458 ( 6.062 3.500 -21.446) 22.559 15.730 ( 3.963 2.288 -2.038) 5.009 16.246 ( 0.872 0.504 -0.623) 1.184 16.748 ( -9.481 -5.474 -8.119) 13.630 18.720 ( 8.847 5.108 9.106) 13.685 19.968 ( 2.063 1.191 10.322) 10.594 ======================= Grid point 361 (55/293) ======================= q-point: (-0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -24.406 -14.091 26.911) 38.967 1.416 ( -24.549 -14.173 38.876) 48.113 2.259 ( -60.939 -35.183 34.672) 78.445 6.550 ( -8.098 -4.675 15.951) 18.490 8.572 ( -66.164 -38.200 -64.349) 99.888 12.176 ( -2.985 -1.724 -32.559) 32.741 12.471 ( -27.004 -15.591 -33.929) 46.081 13.244 ( 35.379 20.426 33.827) 53.040 13.822 ( 5.564 3.213 21.851) 22.776 14.665 ( 7.230 4.174 -24.298) 25.692 15.832 ( 5.494 3.172 2.664) 6.881 16.255 ( -0.203 -0.117 -1.863) 1.877 16.470 ( -14.125 -8.155 -2.313) 16.473 18.847 ( 1.708 0.986 1.922) 2.754 20.073 ( 8.210 4.740 14.664) 17.462 ======================= Grid point 363 (56/293) ======================= q-point: ( 0.06 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 28.321 19.700 25.983) 43.190 2.056 ( 32.811 35.035 14.269) 50.076 3.198 ( 26.484 70.231 19.428) 77.532 6.606 ( -3.265 15.580 12.862) 20.466 9.349 ( 24.057 18.220 -30.362) 42.808 12.169 ( -3.532 3.671 -30.321) 30.746 12.485 ( -22.594 -3.526 17.528) 28.812 13.015 ( 8.989 0.828 -19.976) 21.920 13.907 ( 10.869 -5.607 21.105) 24.393 14.478 ( -8.096 -7.317 -21.122) 23.774 15.744 ( -3.316 -3.577 -0.927) 4.965 16.162 ( -5.603 -0.955 -3.302) 6.573 16.757 ( 10.851 11.077 -5.255) 16.373 18.792 ( -1.875 -7.118 9.243) 11.816 19.985 ( -2.228 -4.069 10.929) 11.873 ======================= Grid point 364 (57/293) ======================= q-point: ( 0.11 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 33.102 12.227 19.489) 40.312 2.963 ( 30.911 34.350 6.822) 46.711 4.451 ( 42.865 59.056 5.354) 73.169 6.794 ( 4.225 21.473 9.151) 23.720 9.767 ( 14.904 4.147 -6.105) 16.632 11.994 ( -13.221 -9.111 8.822) 18.320 12.269 ( -2.733 8.851 -25.594) 27.219 13.048 ( -2.268 -11.304 -10.306) 15.464 13.987 ( -1.021 -1.265 24.247) 24.302 14.425 ( 5.550 7.464 -24.684) 26.378 15.669 ( -1.513 -2.555 -2.577) 3.932 16.085 ( -1.540 -2.310 -4.952) 5.677 16.987 ( 6.311 5.118 -9.906) 12.812 18.652 ( -4.700 -9.089 16.589) 19.491 19.897 ( -4.629 -2.930 5.109) 7.491 ======================= Grid point 365 (58/293) ======================= q-point: ( 0.17 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 30.828 6.103 13.115) 34.053 3.749 ( 22.586 31.276 4.256) 38.813 5.734 ( 45.303 45.550 -2.744) 64.301 7.174 ( 11.831 27.564 6.167) 30.623 10.009 ( 10.126 4.224 3.913) 11.649 11.736 ( -7.426 -6.067 7.548) 12.204 12.381 ( 4.960 7.636 -26.723) 28.232 12.811 ( -7.986 -11.854 -8.797) 16.784 13.859 ( -10.144 -2.234 25.850) 27.859 14.701 ( 10.710 10.894 -19.675) 24.909 15.656 ( 2.759 -1.190 -0.853) 3.123 16.064 ( 1.369 -1.586 -5.231) 5.635 17.071 ( 1.123 -0.338 -13.972) 14.021 18.469 ( -5.694 -9.488 22.765) 25.312 19.761 ( -7.505 -3.423 -1.436) 8.373 ======================= Grid point 366 (59/293) ======================= q-point: ( 0.22 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 24.821 2.381 8.737) 26.421 4.320 ( 11.431 24.454 2.634) 27.122 6.836 ( 38.312 31.291 -4.705) 49.690 7.721 ( 17.246 31.622 3.172) 36.158 10.226 ( 9.201 7.392 2.545) 12.073 11.632 ( 0.321 -2.289 7.334) 7.689 12.481 ( 1.703 -6.364 -11.801) 13.515 12.725 ( 4.860 9.192 -24.194) 26.334 13.626 ( -14.021 -2.034 26.501) 30.050 14.895 ( 2.575 3.744 -15.458) 16.113 15.746 ( 7.345 0.014 5.312) 9.065 16.095 ( 2.632 0.582 -4.263) 5.044 17.043 ( -1.433 -2.841 -15.586) 15.907 18.272 ( -6.440 -9.987 26.946) 29.450 19.585 ( -8.455 -3.943 -8.202) 12.422 ======================= Grid point 367 (60/293) ======================= q-point: ( 0.28 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( 17.958 -0.002 6.623) 19.140 4.610 ( -0.986 17.153 1.284) 17.230 7.626 ( 25.631 17.770 0.025) 31.189 8.345 ( 18.569 31.356 -0.596) 36.447 10.493 ( 12.481 11.055 -7.482) 18.275 11.693 ( 6.383 0.784 7.717) 10.045 12.480 ( 7.006 -2.745 -11.388) 13.649 12.975 ( 4.396 12.219 -20.760) 24.487 13.397 ( -8.148 1.928 22.572) 24.075 14.884 ( -3.588 -2.051 -13.735) 14.343 15.828 ( 2.885 -4.945 11.211) 12.588 16.153 ( 1.295 3.234 -1.599) 3.833 17.012 ( 1.184 -1.044 -12.922) 13.018 18.048 ( -8.001 -10.531 28.149) 31.102 19.416 ( -6.117 -4.174 -13.449) 15.353 ======================= Grid point 368 (61/293) ======================= q-point: ( 0.33 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( 9.647 -5.706 7.360) 13.408 4.670 ( -8.876 16.467 -1.335) 18.755 8.059 ( 11.441 7.106 6.843) 15.107 8.944 ( 17.149 27.642 -4.801) 32.882 10.898 ( 20.203 14.786 -18.161) 30.929 11.808 ( 5.633 -0.059 6.019) 8.244 12.680 ( 13.480 1.950 -10.052) 16.927 12.905 ( -14.742 5.572 6.992) 17.241 13.572 ( 13.689 12.994 -6.037) 19.816 14.772 ( -4.858 -4.294 -11.824) 13.485 15.715 ( -6.867 -10.867 13.244) 18.457 16.184 ( -1.926 3.996 -0.094) 4.437 17.063 ( 3.680 0.942 -5.624) 6.786 17.799 ( -8.976 -9.833 26.651) 29.791 19.310 ( -1.037 -4.178 -15.317) 15.911 ======================= Grid point 369 (62/293) ======================= q-point: ( 0.39 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( -1.944 -11.381 7.292) 13.656 4.710 ( -7.323 19.872 -3.129) 21.408 8.201 ( 1.993 1.049 8.883) 9.164 9.457 ( 13.961 21.950 -7.531) 27.082 11.445 ( 25.060 15.336 -22.325) 36.900 11.877 ( 3.642 -1.742 5.363) 6.713 12.559 ( -20.758 5.330 14.789) 26.039 13.097 ( 19.773 4.859 -16.891) 26.455 13.936 ( 12.490 11.984 -8.511) 19.289 14.661 ( -2.864 -3.736 -8.731) 9.919 15.401 ( -15.131 -13.184 14.106) 24.531 16.173 ( -3.840 4.199 0.053) 5.690 17.116 ( 1.483 -0.004 -0.665) 1.625 17.557 ( -9.095 -8.200 22.965) 26.026 19.305 ( 4.926 -3.689 -12.715) 14.126 ======================= Grid point 370 (63/293) ======================= q-point: ( 0.44 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( -4.469 -10.083 3.582) 11.596 4.774 ( -8.658 19.221 -2.661) 21.248 8.187 ( -2.628 -1.519 6.597) 7.262 9.838 ( 9.084 14.687 -6.923) 18.605 11.882 ( 1.658 -3.471 2.921) 4.830 11.996 ( 20.203 10.260 -14.525) 26.915 12.265 ( -21.164 9.728 10.443) 25.526 13.486 ( 20.873 3.306 -21.109) 29.870 14.179 ( 5.507 2.962 -4.746) 7.850 14.603 ( -2.037 -1.715 -5.162) 5.808 14.999 ( -16.252 -8.101 13.995) 22.926 16.144 ( -4.225 4.414 -0.175) 6.113 17.121 ( 0.140 -0.734 -0.103) 0.754 17.318 ( -10.204 -7.271 16.366) 20.612 19.396 ( 9.180 -3.029 -6.570) 11.688 ======================= Grid point 371 (64/293) ======================= q-point: (-0.50 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -0.632 -7.575 -1.634) 7.775 4.778 ( -12.536 18.082 -2.494) 22.143 8.096 ( -5.497 -2.539 2.374) 6.504 10.027 ( 0.057 5.845 -0.322) 5.854 11.804 ( -5.385 -2.615 5.246) 7.960 12.060 ( -14.039 10.229 0.461) 17.376 12.314 ( 7.172 1.897 -5.324) 9.131 13.849 ( 16.084 -5.102 -19.832) 26.039 14.122 ( -2.488 -9.237 -0.212) 9.569 14.503 ( -11.164 7.341 -2.460) 13.585 14.856 ( 2.206 2.673 9.125) 9.761 16.126 ( -2.821 4.547 -0.967) 5.438 17.071 ( -9.923 -6.058 6.582) 13.360 17.128 ( 0.929 0.075 -0.344) 0.994 19.539 ( 10.398 -2.872 -0.135) 10.789 ======================= Grid point 372 (65/293) ======================= q-point: (-0.44 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( 3.136 -7.115 -6.768) 10.308 4.702 ( -16.647 17.329 -3.266) 24.250 7.948 ( -8.811 -3.174 -2.579) 9.713 9.917 ( -15.123 -2.844 11.318) 19.102 11.717 ( -2.382 -0.291 -3.358) 4.127 11.948 ( -10.325 7.768 -3.626) 13.420 12.264 ( -9.927 -5.498 5.039) 12.416 13.600 ( -11.264 -23.518 5.382) 26.626 14.276 ( -3.589 2.401 2.667) 5.076 14.470 ( 9.227 11.030 -24.863) 28.722 15.002 ( 8.348 4.886 9.108) 13.286 16.137 ( -1.203 4.104 -1.741) 4.617 16.871 ( -6.966 -3.790 -5.942) 9.909 17.183 ( 4.257 2.533 1.958) 5.327 19.680 ( 9.402 -3.147 4.326) 10.818 ======================= Grid point 373 (66/293) ======================= q-point: (-0.39 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 1.887 -10.773 -9.108) 14.232 4.557 ( -20.370 17.442 -5.780) 27.433 7.720 ( -14.120 -4.262 -7.358) 16.483 9.481 ( -28.457 -7.745 19.140) 35.159 11.665 ( -3.074 -4.620 2.182) 5.963 11.759 ( -17.379 -13.402 8.640) 23.585 12.043 ( -8.956 12.964 -16.718) 22.973 13.220 ( -7.069 -19.258 8.501) 22.206 14.083 ( -14.604 1.150 11.896) 18.871 14.824 ( 15.278 6.404 -27.829) 32.387 15.190 ( 6.998 5.217 9.264) 12.728 16.155 ( -0.712 2.411 -1.904) 3.154 16.769 ( -2.135 -0.946 -18.670) 18.816 17.339 ( 9.434 5.909 7.211) 13.264 19.792 ( 7.429 -3.433 6.422) 10.403 ======================= Grid point 374 (67/293) ======================= q-point: (-0.33 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -5.232 -15.947 -7.140) 18.239 4.343 ( -24.933 16.201 -9.402) 31.185 7.356 ( -23.311 -6.865 -10.322) 26.402 8.847 ( -34.670 -9.392 21.862) 42.049 11.136 ( -30.934 -18.489 16.618) 39.685 11.590 ( 0.009 -4.163 3.606) 5.508 12.147 ( 0.759 14.354 -30.673) 33.874 13.001 ( 1.205 -15.435 10.295) 18.593 13.865 ( -12.322 2.898 17.104) 21.279 15.047 ( 5.256 0.893 -23.167) 23.772 15.329 ( 4.050 4.692 6.276) 8.821 16.157 ( -0.094 -0.514 -2.084) 2.149 16.778 ( 2.189 2.188 -25.810) 25.995 17.616 ( 14.129 8.473 12.259) 20.535 19.866 ( 5.255 -3.507 6.645) 9.169 ======================= Grid point 375 (68/293) ======================= q-point: (-0.28 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -14.193 -17.896 -2.872) 23.020 3.996 ( -32.578 11.861 -10.170) 36.131 6.751 ( -37.919 -11.841 -8.722) 40.671 8.156 ( -34.534 -9.374 22.160) 42.090 10.440 ( -28.901 -15.019 11.374) 34.499 11.632 ( 7.829 -0.254 6.640) 10.269 12.286 ( 0.659 9.893 -34.942) 36.322 12.941 ( 8.407 -14.227 10.041) 19.336 13.745 ( -7.684 8.094 20.613) 23.440 14.993 ( -9.110 -3.828 -18.092) 20.614 15.450 ( 5.205 3.848 -0.743) 6.515 16.148 ( 1.407 -3.240 -2.035) 4.077 16.865 ( 3.360 4.250 -24.933) 25.514 17.962 ( 15.702 8.947 15.023) 23.501 19.904 ( 3.324 -3.332 5.941) 7.579 ======================= Grid point 376 (69/293) ======================= q-point: (-0.22 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -22.743 -15.062 3.196) 27.465 3.462 ( -41.019 7.774 -6.217) 42.210 5.815 ( -54.835 -17.095 -1.523) 57.458 7.513 ( -29.295 -9.499 20.655) 37.082 9.911 ( -20.127 -6.481 1.824) 21.223 11.840 ( 15.392 0.489 8.772) 17.723 12.352 ( -1.920 6.067 -33.831) 34.425 12.990 ( 12.752 -13.617 6.654) 19.807 13.761 ( -3.294 13.135 20.762) 24.787 14.717 ( -16.137 -5.024 -21.061) 27.004 15.570 ( 5.196 2.224 -2.908) 6.357 16.144 ( 2.980 -5.162 -1.690) 6.195 16.942 ( -0.379 4.529 -19.171) 19.703 18.305 ( 14.547 7.595 15.262) 22.411 19.919 ( 2.129 -2.723 5.654) 6.627 ======================= Grid point 377 (70/293) ======================= q-point: (-0.17 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -29.731 -5.227 12.740) 32.765 2.778 ( -46.596 6.957 1.868) 47.150 4.580 ( -67.932 -18.502 8.343) 70.899 6.987 ( -20.656 -10.481 17.346) 28.938 9.605 ( -15.386 2.984 -10.647) 18.948 12.111 ( 15.733 -4.629 1.955) 16.516 12.370 ( 1.555 1.837 -17.339) 17.505 13.061 ( 6.605 -9.288 -5.542) 12.673 13.845 ( -4.315 13.837 18.770) 23.715 14.446 ( -7.028 -2.462 -23.865) 25.000 15.668 ( 4.613 0.635 -2.721) 5.393 16.148 ( 3.954 -5.903 -1.859) 7.345 16.918 ( -7.660 3.810 -11.973) 14.715 18.594 ( 11.708 5.052 13.278) 18.410 19.934 ( 2.334 -1.335 7.175) 7.662 ======================= Grid point 382 (71/293) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 19.896 17.225 12.384) 29.085 3.630 ( 28.244 32.546 -3.088) 43.203 5.604 ( 28.715 55.827 -0.609) 62.782 7.326 ( 6.949 31.669 13.518) 35.127 9.889 ( 10.343 10.191 1.329) 14.580 11.806 ( -9.477 -9.940 8.399) 16.098 12.416 ( 1.659 5.285 -27.718) 28.267 12.812 ( -8.819 -10.367 -2.516) 13.842 13.930 ( 0.396 -3.950 21.949) 22.305 14.663 ( 8.177 14.731 -21.267) 27.132 15.608 ( 0.126 -3.643 -1.348) 3.886 16.056 ( -2.733 -0.367 -4.012) 4.868 17.027 ( 3.352 -1.133 -15.804) 16.195 18.427 ( -2.761 -13.592 18.726) 23.302 19.850 ( -5.835 -1.879 2.674) 6.688 ======================= Grid point 383 (72/293) ======================= q-point: ( 0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 22.235 8.787 10.811) 26.239 4.333 ( 18.570 27.514 -4.148) 33.453 6.595 ( 30.504 40.127 -5.909) 50.750 7.833 ( 11.731 37.693 9.559) 40.617 10.165 ( 8.803 12.790 4.998) 16.311 11.618 ( -3.191 -5.645 7.968) 10.273 12.457 ( -3.431 -1.002 -9.119) 9.794 12.688 ( 5.265 0.805 -22.402) 23.026 13.825 ( -9.029 -0.767 22.896) 24.624 14.897 ( 3.775 8.012 -17.029) 19.195 15.624 ( 5.301 -2.042 3.217) 6.528 16.052 ( 2.035 0.670 -4.798) 5.255 17.021 ( -0.052 -4.420 -17.790) 18.331 18.238 ( -3.526 -13.884 23.322) 27.370 19.699 ( -8.788 -3.105 -2.712) 9.707 ======================= Grid point 384 (73/293) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 19.946 2.547 9.789) 22.364 4.786 ( 5.537 22.888 -4.245) 23.928 7.395 ( 25.176 24.643 -4.454) 35.510 8.433 ( 13.407 38.635 4.869) 41.184 10.444 ( 8.108 15.203 -1.142) 17.268 11.598 ( 4.298 -0.777 8.862) 9.880 12.384 ( 0.405 -2.157 -5.662) 6.073 12.930 ( 13.130 10.357 -26.759) 31.555 13.636 ( -13.661 3.475 23.645) 27.528 14.929 ( -3.394 -0.647 -15.783) 16.157 15.706 ( 5.554 -4.132 8.846) 11.233 16.132 ( 4.492 3.139 -2.751) 6.132 16.976 ( 0.562 -3.603 -16.466) 16.865 18.032 ( -4.529 -13.932 25.694) 29.577 19.503 ( -9.208 -4.718 -8.018) 13.089 ======================= Grid point 385 (74/293) ======================= q-point: ( 0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 13.883 -4.483 9.571) 17.448 5.000 ( -5.232 22.723 -4.066) 23.669 7.919 ( 15.247 11.533 2.419) 19.271 9.020 ( 12.040 35.563 -0.800) 37.554 10.767 ( 12.522 16.515 -11.866) 23.882 11.705 ( 6.436 0.823 8.136) 10.406 12.475 ( 10.411 2.190 -8.133) 13.391 13.202 ( -2.471 11.115 -11.923) 16.486 13.532 ( 0.826 11.544 11.429) 16.266 14.812 ( -5.615 -5.395 -14.399) 16.369 15.679 ( -1.328 -9.646 10.872) 14.595 16.231 ( 1.919 4.525 0.594) 4.951 16.998 ( 4.214 -0.443 -10.214) 11.058 17.812 ( -5.631 -12.808 25.456) 29.048 19.312 ( -5.964 -6.713 -11.869) 14.884 ======================= Grid point 386 (75/293) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 5.004 -12.051 8.977) 15.838 5.111 ( -9.703 27.525 -3.397) 29.382 8.157 ( 5.428 2.737 7.501) 9.655 9.525 ( 8.951 29.873 -5.329) 31.637 11.208 ( 19.930 16.026 -19.025) 31.875 11.798 ( 4.121 -0.419 6.518) 7.723 12.745 ( 14.675 4.322 -8.468) 17.485 13.084 ( -17.341 13.403 7.319) 23.106 13.845 ( 13.091 13.542 -8.779) 20.781 14.666 ( -3.707 -6.523 -11.239) 13.513 15.476 ( -8.910 -12.638 11.498) 19.270 16.280 ( -1.892 5.731 1.491) 6.217 17.075 ( 3.659 0.205 -2.439) 4.403 17.598 ( -6.162 -10.155 22.861) 25.763 19.188 ( 0.734 -8.521 -12.645) 15.266 ======================= Grid point 387 (76/293) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -0.547 -14.369 6.633) 15.836 5.214 ( -12.253 30.441 -2.140) 32.884 8.198 ( -0.238 -1.393 7.627) 7.756 9.900 ( 4.957 21.816 -6.926) 23.420 11.716 ( 21.135 10.979 -18.997) 30.465 11.844 ( 3.050 -0.845 6.016) 6.797 12.787 ( -20.909 16.816 7.701) 27.915 13.177 ( 16.572 4.725 -12.939) 21.549 14.118 ( 6.150 4.367 -7.476) 10.620 14.582 ( 0.384 -4.139 -6.628) 7.824 15.170 ( -12.629 -8.690 10.622) 18.651 16.286 ( -4.692 7.070 1.538) 8.623 17.106 ( 0.723 -0.836 0.554) 1.237 17.396 ( -7.497 -7.802 18.052) 21.047 19.179 ( 8.365 -9.195 -9.070) 15.388 ======================= Grid point 388 (77/293) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.802 ( -0.028 -12.030 2.654) 12.320 5.271 ( -16.218 29.805 -1.165) 33.952 8.147 ( -3.081 -2.609 4.757) 6.239 10.115 ( -0.107 12.821 -4.711) 13.660 11.820 ( -0.743 -2.673 5.213) 5.905 12.132 ( 14.157 2.586 -11.269) 18.279 12.583 ( -23.590 22.004 2.971) 32.396 13.524 ( 18.356 0.897 -16.376) 24.615 14.083 ( -4.690 -11.077 -0.978) 12.069 14.603 ( 3.416 1.487 -2.997) 4.781 14.951 ( -8.639 2.252 6.693) 11.158 16.265 ( -5.930 7.434 0.828) 9.545 17.105 ( 0.516 -0.764 0.570) 1.084 17.182 ( -9.114 -6.157 10.309) 15.075 19.277 ( 12.981 -8.985 -2.995) 16.069 ======================= Grid point 390 (78/293) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 2.644 -8.660 -1.981) 9.269 5.241 ( -20.070 26.908 -1.121) 33.587 8.049 ( -5.667 -2.226 0.613) 6.119 10.128 ( -9.121 4.460 1.867) 10.323 11.756 ( -3.131 -2.996 3.722) 5.713 12.190 ( -5.463 -4.758 0.132) 7.246 12.468 ( -15.365 20.889 -6.120) 26.644 13.537 ( -7.987 -20.688 2.009) 22.267 14.106 ( 16.403 3.713 -15.145) 22.632 14.646 ( -6.877 6.315 -5.559) 10.866 14.922 ( 3.912 3.218 9.712) 10.954 16.240 ( -4.760 6.432 -0.505) 8.017 16.966 ( -8.613 -4.356 0.645) 9.674 17.144 ( 2.878 1.673 1.206) 3.540 19.423 ( 13.787 -8.574 2.012) 16.360 ======================= Grid point 391 (79/293) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 2.290 -6.853 -5.075) 8.830 5.123 ( -22.366 22.892 -2.790) 32.125 7.902 ( -9.867 -1.273 -3.850) 10.668 9.876 ( -22.202 -1.359 9.930) 24.359 11.661 ( -3.514 -5.131 0.506) 6.240 11.937 ( -14.880 -10.310 9.871) 20.620 12.407 ( -14.944 20.296 -14.635) 29.145 13.150 ( -9.421 -21.290 5.733) 23.977 14.308 ( -6.431 0.472 6.740) 9.328 14.638 ( 9.521 5.830 -25.244) 27.602 15.104 ( 9.581 5.587 10.429) 15.224 16.226 ( -3.590 4.396 -1.195) 5.800 16.816 ( -4.963 -1.603 -11.039) 12.209 17.254 ( 6.726 4.730 5.526) 9.907 19.566 ( 12.355 -8.000 4.493) 15.389 ======================= Grid point 392 (80/293) ======================= q-point: (-0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( -3.478 -6.796 -4.431) 8.827 4.932 ( -24.016 18.302 -6.374) 30.860 7.667 ( -17.204 -0.931 -7.718) 18.879 9.368 ( -32.977 -4.180 15.155) 36.533 11.412 ( -20.409 -18.874 7.127) 28.697 11.600 ( -7.487 -2.396 9.577) 12.391 12.392 ( -9.634 19.526 -23.885) 32.320 12.848 ( -3.341 -17.055 5.801) 18.322 14.091 ( -12.842 -1.239 14.798) 19.632 14.907 ( 12.228 2.021 -24.958) 27.866 15.305 ( 6.198 6.532 9.608) 13.168 16.189 ( -3.818 0.746 -1.933) 4.345 16.775 ( 0.121 1.668 -20.498) 20.566 17.473 ( 11.749 7.435 11.630) 18.126 19.682 ( 10.005 -7.226 4.700) 13.207 ======================= Grid point 393 (81/293) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( -11.895 -5.947 -0.329) 13.302 4.647 ( -28.288 13.283 -9.449) 32.649 7.263 ( -29.541 -2.390 -9.404) 31.094 8.709 ( -37.712 -5.561 17.326) 41.873 10.786 ( -28.605 -16.177 11.077) 34.679 11.538 ( 1.454 -1.228 6.914) 7.171 12.441 ( -4.890 13.818 -27.785) 31.415 12.697 ( 2.756 -13.061 3.843) 13.891 13.914 ( -6.878 0.669 19.031) 20.247 15.034 ( 1.783 -1.844 -20.251) 20.413 15.437 ( 2.363 6.222 6.180) 9.082 16.123 ( -2.466 -2.381 -3.578) 4.955 16.842 ( 3.830 3.956 -23.381) 24.021 17.785 ( 15.017 8.450 16.459) 23.829 19.764 ( 7.488 -6.391 3.567) 10.471 ======================= Grid point 394 (82/293) ======================= q-point: (-0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -19.377 -1.386 5.447) 20.176 4.214 ( -35.597 9.340 -8.615) 37.797 6.583 ( -46.464 -4.612 -6.785) 47.183 8.001 ( -37.035 -7.678 16.808) 41.388 10.215 ( -22.933 -7.068 7.384) 25.108 11.624 ( 9.158 -0.500 7.477) 11.833 12.469 ( -4.092 6.495 -28.662) 29.672 12.682 ( 8.327 -8.947 1.321) 12.293 13.872 ( -0.491 2.933 21.042) 21.251 14.928 ( -10.858 -2.476 -18.004) 21.170 15.528 ( 2.551 4.281 1.246) 5.137 16.071 ( -0.132 -3.345 -4.025) 5.235 16.956 ( 3.814 4.360 -20.924) 21.711 18.125 ( 15.123 7.310 18.818) 25.225 19.815 ( 5.436 -5.476 2.406) 8.082 ======================= Grid point 402 (83/293) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 13.293 8.634 6.639) 17.186 4.821 ( 16.968 22.028 -7.648) 28.838 7.269 ( 19.771 27.782 -7.449) 34.903 8.590 ( 13.543 37.862 11.189) 41.738 10.533 ( 3.764 24.195 4.969) 24.985 11.541 ( 0.999 -1.391 8.838) 9.002 12.440 ( -7.286 1.195 0.498) 7.401 12.750 ( 15.428 3.660 -28.336) 32.471 13.853 ( -6.052 4.192 20.671) 21.943 14.985 ( -3.119 0.421 -17.959) 18.233 15.568 ( 5.681 -4.098 7.318) 10.130 16.097 ( 2.648 3.834 -3.930) 6.096 16.919 ( 0.972 -5.384 -19.913) 20.651 17.936 ( -1.849 -16.311 21.390) 26.963 19.629 ( -10.472 -4.201 -1.689) 11.408 ======================= Grid point 403 (84/293) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 12.365 -0.524 7.486) 14.464 5.229 ( 5.991 22.354 -5.441) 23.774 7.781 ( 15.467 14.383 -2.456) 21.264 9.177 ( 12.144 35.895 4.082) 38.113 10.814 ( 3.585 21.424 -4.195) 22.123 11.618 ( 5.651 3.091 9.729) 11.668 12.406 ( 0.923 4.233 -2.218) 4.867 13.119 ( 18.745 8.814 -24.814) 32.323 13.783 ( -10.130 11.818 20.007) 25.349 14.861 ( -6.839 -6.397 -17.788) 20.102 15.581 ( 2.099 -8.681 9.989) 13.399 16.215 ( 4.832 5.174 -0.645) 7.109 16.915 ( 3.694 -2.370 -15.005) 15.634 17.745 ( -2.530 -14.648 21.994) 26.546 19.388 ( -10.800 -7.094 -5.748) 14.142 ======================= Grid point 404 (85/293) ======================= q-point: ( 0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 7.112 -9.750 8.174) 14.576 5.500 ( -2.065 27.644 -3.268) 27.913 8.071 ( 8.222 3.974 3.908) 9.934 9.691 ( 8.626 31.519 -2.286) 32.758 11.113 ( 9.773 17.521 -12.515) 23.646 11.737 ( 4.026 2.494 7.661) 9.007 12.561 ( 10.405 6.659 -4.541) 13.162 13.439 ( 1.050 13.090 -10.827) 17.020 13.824 ( 1.214 17.649 7.490) 19.211 14.665 ( -5.694 -9.736 -15.160) 18.896 15.461 ( -3.695 -12.215 10.577) 16.575 16.332 ( 2.347 5.779 1.498) 6.414 16.993 ( 5.880 -0.100 -6.409) 8.698 17.568 ( -2.969 -11.396 20.374) 23.532 19.143 ( -7.020 -10.508 -8.765) 15.379 ======================= Grid point 405 (86/293) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( 2.193 -14.920 8.123) 17.129 5.715 ( -7.886 32.901 -1.601) 33.871 8.162 ( 2.386 -2.252 6.736) 7.492 10.071 ( 3.136 24.721 -5.416) 25.501 11.494 ( 16.912 12.129 -16.153) 26.344 11.800 ( 1.898 0.504 5.715) 6.043 12.851 ( 14.362 7.052 -6.904) 17.426 13.443 ( -17.170 22.194 1.842) 28.121 14.062 ( 5.867 7.576 -6.521) 11.590 14.517 ( -0.083 -8.322 -8.973) 12.239 15.248 ( -6.971 -9.786 9.612) 15.387 16.410 ( -0.845 7.444 2.255) 7.823 17.073 ( 2.926 -0.225 0.247) 2.945 17.417 ( -3.989 -7.833 16.972) 19.113 18.971 ( 1.533 -13.404 -9.052) 16.247 ======================= Grid point 406 (87/293) ======================= q-point: ( 0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 1.433 -14.393 6.530) 15.870 5.861 ( -14.345 34.056 -0.331) 36.955 8.140 ( -0.190 -4.720 5.908) 7.564 10.284 ( -2.020 16.830 -5.747) 17.898 11.797 ( 1.639 -0.675 2.339) 2.935 11.894 ( 15.393 3.116 -11.191) 19.285 13.124 ( 0.820 14.049 -6.586) 15.538 13.382 ( -8.793 18.581 -4.066) 20.954 14.064 ( -4.784 -9.035 -3.096) 10.682 14.510 ( 5.593 -2.587 -1.866) 6.439 15.091 ( -5.346 -0.198 4.728) 7.140 16.445 ( -4.764 8.953 2.348) 10.410 17.090 ( 0.406 -0.567 1.379) 1.545 17.260 ( -6.801 -5.825 12.007) 14.978 18.946 ( 11.272 -14.181 -5.276) 18.868 ======================= Grid point 407 (88/293) ======================= q-point: (-0.56 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 3.758 -10.313 3.433) 11.501 5.881 ( -20.760 30.399 0.432) 36.814 8.082 ( -1.383 -3.986 3.132) 5.255 10.336 ( -7.382 9.659 -3.733) 12.717 11.765 ( -1.863 -3.187 3.342) 4.979 12.094 ( 7.152 -5.804 -5.231) 10.592 13.086 ( -23.276 27.263 -6.036) 36.352 13.475 ( -1.776 -8.011 -2.174) 8.488 13.909 ( 6.047 -2.548 -9.854) 11.839 14.653 ( 9.251 4.007 2.078) 10.293 15.000 ( -7.492 0.676 3.324) 8.224 16.418 ( -7.627 7.663 1.284) 10.887 17.067 ( -6.995 -3.449 4.208) 8.861 17.121 ( 0.674 0.704 2.112) 2.326 19.055 ( 16.341 -13.095 -0.362) 20.943 ======================= Grid point 408 (89/293) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.578 ( 5.073 -5.453 0.297) 7.454 5.755 ( -24.604 23.298 -0.058) 33.885 8.013 ( -4.001 -1.167 -0.220) 4.174 10.207 ( -15.854 3.613 0.412) 16.265 11.674 ( -3.971 -5.634 1.280) 7.011 12.018 ( -5.825 -10.123 4.440) 12.495 12.946 ( -21.600 21.429 -9.021) 31.736 13.161 ( -13.552 -13.177 0.850) 18.921 14.198 ( 16.860 5.214 -13.122) 21.992 14.726 ( -10.612 0.205 -5.918) 12.152 14.973 ( 10.400 2.972 12.137) 16.257 16.359 ( -6.395 5.258 0.066) 8.280 16.907 ( -7.221 -1.357 -3.799) 8.271 17.200 ( 4.774 4.050 4.357) 7.628 19.221 ( 16.691 -11.304 2.267) 20.286 ======================= Grid point 409 (90/293) ======================= q-point: (-0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 1.678 -1.438 -0.579) 2.284 5.517 ( -25.154 15.280 -2.542) 29.541 7.905 ( -9.673 1.689 -3.398) 10.391 9.855 ( -26.808 -1.069 5.422) 27.372 11.484 ( -9.716 -12.959 -0.733) 16.213 11.763 ( -12.134 -5.176 11.474) 17.483 12.728 ( -11.023 -6.837 1.229) 13.029 12.915 ( -16.475 14.831 -16.678) 27.741 14.275 ( -11.623 -4.534 11.970) 17.290 14.695 ( 12.655 0.189 -24.134) 27.251 15.227 ( 10.879 6.933 10.933) 16.909 16.294 ( -6.221 2.433 -0.303) 6.686 16.817 ( -3.222 1.887 -12.876) 13.407 17.364 ( 8.776 6.117 10.380) 14.906 19.388 ( 14.641 -9.446 2.204) 17.563 ======================= Grid point 410 (91/293) ======================= q-point: (-0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -6.218 2.184 2.034) 6.897 5.206 ( -24.915 8.278 -6.177) 26.971 7.688 ( -19.460 3.011 -6.112) 20.618 9.291 ( -35.423 -4.328 9.481) 36.924 11.057 ( -21.436 -16.212 3.041) 27.048 11.580 ( -6.589 0.462 10.178) 12.133 12.523 ( -2.976 -9.443 2.755) 10.277 12.819 ( -14.051 16.977 -25.355) 33.593 14.008 ( -9.018 -7.663 17.363) 21.012 14.908 ( 10.265 -1.598 -21.372) 23.763 15.444 ( 5.880 7.357 9.717) 13.532 16.194 ( -6.632 0.323 -1.874) 6.899 16.832 ( 1.219 3.825 -18.669) 19.095 17.620 ( 13.238 7.230 16.916) 22.664 19.528 ( 11.708 -7.959 0.440) 14.164 ======================= Grid point 421 (92/293) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 3.959 -5.201 4.606) 7.996 5.669 ( 12.139 22.150 -2.817) 25.415 7.970 ( 8.476 5.318 -0.490) 10.018 9.813 ( 11.751 28.028 0.988) 30.408 11.229 ( -1.485 19.149 -4.844) 19.808 11.716 ( 3.419 6.539 9.196) 11.791 12.553 ( 0.530 10.975 1.041) 11.037 13.284 ( 23.254 8.104 -21.091) 32.423 14.099 ( -4.581 19.357 15.392) 25.152 14.676 ( -8.302 -12.041 -20.524) 25.202 15.365 ( -0.006 -13.033 10.742) 16.889 16.327 ( 4.634 5.904 0.619) 7.531 16.888 ( 5.604 -0.183 -10.836) 12.201 17.481 ( -0.387 -11.614 15.779) 19.596 19.221 ( -13.477 -9.765 -2.732) 16.865 ======================= Grid point 422 (93/293) ======================= q-point: ( 0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 1.200 -11.914 7.130) 13.936 6.063 ( 4.532 28.744 -0.751) 29.109 8.082 ( 3.564 -2.672 3.925) 5.937 10.228 ( 7.083 22.497 -4.064) 23.933 11.417 ( 5.712 12.695 -9.784) 17.015 11.796 ( 0.446 3.103 5.690) 6.496 12.750 ( 7.923 12.903 -1.189) 15.188 13.689 ( 11.229 11.201 -15.787) 22.378 14.221 ( -7.774 22.152 8.730) 25.047 14.428 ( -3.206 -14.074 -14.329) 20.339 15.211 ( -1.841 -12.789 10.484) 16.639 16.457 ( 3.338 6.866 1.858) 7.857 16.998 ( 5.867 0.967 -2.342) 6.390 17.379 ( -0.596 -7.774 13.320) 15.434 18.901 ( -9.490 -13.888 -5.206) 17.608 ======================= Grid point 423 (94/293) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 0.751 -13.450 8.437) 15.894 6.370 ( -4.879 32.851 0.369) 33.214 8.063 ( 1.350 -8.001 5.318) 9.701 10.480 ( -0.178 16.747 -5.333) 17.576 11.666 ( 11.959 5.402 -10.840) 17.021 11.805 ( -0.570 -0.303 3.094) 3.161 13.047 ( 11.292 13.104 -5.131) 18.043 13.856 ( -6.585 14.610 -13.885) 21.204 14.115 ( -12.026 -2.971 -3.008) 12.747 14.400 ( 3.091 1.143 4.420) 5.514 15.111 ( 0.704 -4.295 6.397) 7.737 16.575 ( 0.619 9.346 2.556) 9.709 17.074 ( 1.799 0.617 1.942) 2.718 17.293 ( -2.882 -4.956 10.606) 12.056 18.668 ( 1.416 -16.961 -5.374) 17.848 ======================= Grid point 424 (95/293) ======================= q-point: ( 0.39 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( 3.504 -10.387 7.755) 13.428 6.508 ( -16.460 30.448 1.275) 34.636 8.008 ( 2.772 -8.678 4.262) 10.057 10.562 ( -6.199 11.511 -5.359) 14.130 11.767 ( -1.787 -2.393 1.667) 3.420 11.888 ( 10.578 -2.928 -7.309) 13.187 13.358 ( 8.699 10.245 -8.774) 16.051 13.762 ( -22.222 10.798 -3.826) 25.001 13.862 ( -4.548 -4.944 -9.770) 11.857 14.529 ( 8.082 6.268 8.507) 13.303 15.089 ( -2.583 -1.709 2.585) 4.034 16.627 ( -6.229 9.027 2.462) 11.241 17.095 ( 0.639 1.320 1.811) 2.330 17.171 ( -6.068 -3.290 6.828) 9.709 18.640 ( 13.994 -16.145 -2.233) 21.482 ======================= Grid point 426 (96/293) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 6.964 -4.892 5.667) 10.225 6.399 ( -25.127 20.290 1.531) 32.333 8.000 ( 3.105 -3.638 2.348) 5.327 10.497 ( -12.137 6.559 -4.558) 14.530 11.686 ( -3.666 -4.784 -0.602) 6.057 11.950 ( 2.610 -7.336 -0.419) 7.798 13.249 ( -16.812 -12.056 4.332) 21.137 13.574 ( -17.969 20.437 -15.405) 31.271 13.974 ( 14.359 6.728 -13.678) 20.942 14.778 ( 11.890 8.463 9.710) 17.530 14.929 ( -10.880 -8.167 3.075) 13.947 16.547 ( -9.627 5.022 1.481) 10.959 17.024 ( -7.165 -0.583 1.164) 7.282 17.169 ( 3.563 3.840 3.658) 6.389 18.791 ( 19.141 -12.585 0.225) 22.909 ======================= Grid point 427 (97/293) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( 7.351 0.863 4.001) 8.414 6.084 ( -27.329 8.562 0.110) 28.639 8.016 ( -1.087 1.783 0.859) 2.258 10.261 ( -20.607 1.240 -2.395) 20.783 11.529 ( -8.098 -8.281 -3.318) 12.049 11.857 ( -4.932 -5.473 5.999) 9.501 12.844 ( -15.721 -9.772 3.857) 18.908 13.440 ( -19.789 18.871 -17.950) 32.709 14.303 ( 11.312 5.196 -7.462) 14.513 14.592 ( -10.933 -13.514 -3.084) 17.654 15.081 ( 13.575 7.332 11.374) 19.168 16.437 ( -7.612 2.538 1.011) 8.087 16.920 ( -5.728 2.665 -4.874) 7.979 17.293 ( 6.011 4.978 8.628) 11.635 19.011 ( 18.366 -9.085 -0.274) 20.492 ======================= Grid point 441 (98/293) ======================= q-point: ( 0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -2.901 -9.346 7.892) 12.572 6.601 ( 13.213 25.045 1.340) 28.349 7.978 ( -1.880 -7.478 3.405) 8.429 10.570 ( 7.186 12.475 -5.286) 15.336 11.606 ( 1.965 6.856 -6.032) 9.341 11.842 ( -3.395 1.136 2.281) 4.244 13.068 ( 4.549 18.839 0.732) 19.394 13.852 ( 11.997 5.045 -18.335) 22.485 14.121 ( -0.908 -16.200 -12.921) 20.742 14.642 ( -11.075 17.865 11.474) 23.947 14.985 ( 5.698 -8.813 7.842) 13.101 16.606 ( 5.785 8.382 2.010) 10.381 17.040 ( 4.058 3.347 0.966) 5.348 17.252 ( 1.317 -5.481 6.897) 8.907 18.612 ( -13.280 -14.766 -2.204) 19.981 ======================= Grid point 442 (99/293) ======================= q-point: ( 0.33 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 0.152 -7.784 9.765) 12.489 6.982 ( -1.996 28.741 1.920) 28.874 7.841 ( 0.933 -14.672 3.959) 15.226 10.733 ( -0.625 8.965 -5.480) 10.526 11.723 ( 6.326 1.095 -6.206) 8.929 11.784 ( -2.644 -1.744 0.083) 3.168 13.345 ( 6.813 15.927 -3.367) 17.648 13.902 ( -6.767 -5.927 -9.967) 13.427 13.969 ( 0.268 -8.692 -15.127) 17.449 14.646 ( -6.310 17.324 13.149) 22.646 15.041 ( 4.652 -4.078 4.897) 7.890 16.770 ( 1.174 9.714 2.404) 10.075 17.104 ( 0.476 2.474 2.610) 3.628 17.213 ( -1.702 -3.323 5.902) 6.983 18.336 ( 0.641 -15.450 -2.444) 15.655 ======================= Grid point 443 (100/293) ======================= q-point: (-0.61 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 5.352 -3.265 9.381) 11.284 6.991 ( -23.143 15.713 2.330) 28.070 7.827 ( 10.902 -7.424 3.309) 13.599 10.731 ( -7.611 5.058 -5.592) 10.713 11.709 ( -3.214 -2.550 -2.850) 4.996 11.824 ( 5.196 -2.793 -2.166) 6.284 13.426 ( -12.808 -4.081 0.315) 13.446 13.800 ( 5.367 7.962 -13.093) 16.236 13.938 ( -0.627 0.548 -14.802) 14.825 14.743 ( -0.053 10.442 13.740) 17.258 14.996 ( -3.943 -6.353 3.433) 8.227 16.767 ( -9.556 4.139 2.248) 10.654 17.125 ( -5.023 -1.293 3.869) 6.471 17.155 ( 2.369 4.248 3.002) 5.716 18.363 ( 16.008 -9.959 -1.176) 18.890 ======================= Grid point 460 (101/293) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -0.000 -0.000 10.597) 10.597 7.483 ( -9.720 -19.440 2.986) 21.938 7.483 ( 9.720 19.440 2.986) 21.938 10.825 ( -0.000 -0.000 -5.545) 5.545 11.745 ( -0.918 -1.835 -3.010) 3.643 11.745 ( 0.918 1.835 -3.010) 3.643 13.554 ( 0.000 -0.000 0.953) 0.953 13.833 ( -2.115 -4.230 -13.145) 13.970 13.833 ( 2.115 4.230 -13.145) 13.970 14.915 ( -3.982 -7.964 7.781) 11.825 14.915 ( 3.982 7.964 7.781) 11.825 16.885 ( -0.000 -0.000 2.461) 2.461 17.160 ( -0.839 -1.677 3.470) 3.944 17.160 ( 0.839 1.677 3.470) 3.944 18.154 ( 0.000 -0.000 -1.428) 1.428 ======================= Grid point 686 (102/293) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 -0.000 34.403) 34.403 1.814 ( 0.000 0.000 34.403) 34.403 2.666 ( -0.000 0.000 56.988) 56.988 6.822 ( 0.000 0.000 25.855) 25.855 6.822 ( 0.000 -0.000 25.855) 25.855 11.357 ( 0.000 0.000 -40.453) 40.453 11.357 ( 0.000 -0.000 -40.453) 40.453 14.154 ( -0.000 -0.000 -25.070) 25.070 14.451 ( 0.000 0.000 24.710) 24.710 14.451 ( -0.000 0.000 24.710) 24.710 16.124 ( 0.000 0.000 -7.133) 7.133 16.124 ( 0.000 -0.000 -7.133) 7.133 16.205 ( -0.000 0.000 11.217) 11.217 18.725 ( 0.000 0.000 -5.089) 5.089 20.378 ( 0.000 -0.000 5.544) 5.544 ======================= Grid point 687 (103/293) ======================= q-point: ( 0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 28.052 16.196 29.868) 44.060 2.154 ( 20.044 11.573 27.499) 35.943 2.928 ( 24.089 13.908 43.966) 52.026 6.766 ( 0.253 0.146 24.789) 24.791 8.064 ( 72.516 41.867 -5.816) 83.936 11.354 ( 1.142 0.659 -38.781) 38.803 11.633 ( 21.472 12.397 -43.781) 50.314 13.722 ( -36.241 -20.924 18.697) 45.835 14.163 ( -11.488 -6.633 -13.921) 19.229 14.554 ( 3.004 1.734 25.395) 25.631 15.848 ( -11.621 -6.709 -0.646) 13.435 16.042 ( -3.823 -2.207 -8.599) 9.666 16.520 ( 12.229 7.060 -0.283) 14.124 18.898 ( 10.345 5.973 0.593) 11.960 20.293 ( -6.495 -3.750 7.219) 10.409 ======================= Grid point 688 (104/293) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 23.367 13.491 16.763) 31.765 2.793 ( 30.491 17.604 23.207) 42.168 3.770 ( 47.761 27.575 19.016) 58.336 6.843 ( 6.783 3.916 23.839) 25.093 9.344 ( 38.982 22.506 -5.399) 45.336 11.419 ( 4.750 2.742 -36.827) 37.233 12.173 ( 18.625 10.753 -29.487) 36.497 12.955 ( -24.232 -13.990 12.511) 30.650 13.918 ( -8.088 -4.669 -19.557) 21.673 14.570 ( -1.915 -1.106 25.328) 25.424 15.648 ( -6.195 -3.577 -3.853) 8.125 15.967 ( -2.410 -1.391 -9.138) 9.552 16.729 ( 6.330 3.655 -6.338) 9.674 19.047 ( 2.357 1.361 11.663) 11.976 20.115 ( -9.017 -5.206 6.101) 12.068 ======================= Grid point 689 (105/293) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 21.177 12.226 7.213) 25.494 3.463 ( 28.208 16.286 13.388) 35.216 4.948 ( 53.280 30.761 3.162) 61.604 7.082 ( 14.354 8.287 22.292) 27.779 9.961 ( 18.205 10.511 4.145) 21.426 11.579 ( 9.425 5.442 -34.486) 36.163 12.131 ( -13.540 -7.817 14.454) 21.292 12.763 ( -4.490 -2.592 -14.776) 15.659 13.974 ( 14.760 8.522 -26.142) 31.207 14.460 ( -7.680 -4.434 24.015) 25.600 15.563 ( -1.015 -0.586 -7.039) 7.136 15.943 ( 0.372 0.215 -7.976) 7.987 16.813 ( 1.225 0.707 -10.542) 10.636 19.030 ( -3.172 -1.831 18.704) 19.059 19.877 ( -12.078 -6.973 2.065) 14.098 ======================= Grid point 690 (106/293) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 16.671 9.625 0.583) 19.259 4.045 ( 22.150 12.788 4.708) 26.006 6.118 ( 48.668 28.099 -5.285) 56.446 7.487 ( 20.870 12.049 19.158) 30.786 10.256 ( 8.820 5.092 8.886) 13.516 11.849 ( 14.341 8.280 -31.558) 35.639 11.896 ( -5.850 -3.377 14.176) 15.703 12.549 ( -11.385 -6.573 -7.407) 15.089 14.235 ( -11.646 -6.724 22.571) 26.274 14.386 ( 15.906 9.184 -21.643) 28.386 15.638 ( 8.685 5.014 -8.050) 12.860 15.976 ( 2.253 1.301 -6.038) 6.574 16.796 ( -2.284 -1.319 -12.240) 12.520 18.920 ( -6.518 -3.763 21.034) 22.341 19.576 ( -13.839 -7.990 -2.735) 16.213 ======================= Grid point 691 (107/293) ======================= q-point: ( 0.28 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 12.459 7.193 -3.059) 14.709 4.434 ( 11.551 6.669 -0.474) 13.346 7.127 ( 39.569 22.845 -7.846) 46.359 8.004 ( 23.919 13.810 14.187) 31.051 10.397 ( 4.420 2.552 8.099) 9.573 11.867 ( 2.556 1.476 12.139) 12.493 12.219 ( 17.708 10.224 -27.616) 34.362 12.342 ( -5.496 -3.173 -7.297) 9.671 13.954 ( -12.560 -7.252 21.902) 26.269 14.587 ( 2.457 1.419 -15.886) 16.137 15.934 ( 14.144 8.166 -0.733) 16.349 16.032 ( 2.415 1.394 -4.484) 5.280 16.744 ( -0.865 -0.500 -13.341) 13.378 18.723 ( -10.949 -6.321 18.323) 22.261 19.285 ( -10.960 -6.328 -5.261) 13.705 ======================= Grid point 692 (108/293) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 9.266 5.350 -4.636) 11.660 4.563 ( 0.019 0.011 -2.065) 2.065 7.888 ( 26.576 15.344 -3.725) 30.913 8.546 ( 23.243 13.419 8.169) 28.054 10.513 ( 7.355 4.246 1.048) 8.557 11.950 ( 3.351 1.935 9.981) 10.704 12.348 ( 6.477 3.740 -11.262) 13.519 12.611 ( 15.085 8.709 -20.336) 26.776 13.700 ( -8.404 -4.852 19.448) 21.735 14.569 ( -2.706 -1.563 -13.512) 13.869 16.077 ( 1.362 0.786 -3.418) 3.763 16.082 ( -3.203 -1.849 7.015) 7.930 16.849 ( 10.086 5.823 -9.529) 15.048 18.443 ( -12.735 -7.352 14.079) 20.358 19.095 ( -5.679 -3.279 -6.358) 9.134 ======================= Grid point 693 (109/293) ======================= q-point: ( 0.39 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( 6.467 3.734 -5.106) 9.046 4.462 ( -8.065 -4.656 -1.285) 9.400 8.309 ( 10.471 6.045 4.819) 13.015 9.044 ( 20.355 11.752 2.230) 23.610 10.791 ( 17.581 10.150 -10.812) 23.000 12.011 ( 2.441 1.409 7.831) 8.323 12.589 ( 13.058 7.539 -16.562) 22.397 12.783 ( -2.069 -1.194 -0.520) 2.445 13.669 ( 7.033 4.060 4.879) 9.474 14.506 ( -2.220 -1.282 -11.039) 11.333 15.857 ( -14.717 -8.497 7.026) 18.389 16.091 ( -0.118 -0.068 -2.588) 2.592 17.063 ( 6.282 3.627 -1.394) 7.386 18.175 ( -11.006 -6.354 17.145) 21.342 19.040 ( 1.468 0.847 -10.812) 10.944 ======================= Grid point 694 (110/293) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( -10.725 -6.192 -0.037) 12.384 4.472 ( 3.345 1.931 -5.099) 6.396 8.397 ( -1.522 -0.879 9.718) 9.876 9.466 ( 16.741 9.665 -2.621) 19.508 11.281 ( 24.009 13.862 -19.342) 33.803 12.067 ( 2.407 1.390 7.514) 8.011 12.573 ( -14.164 -8.178 13.737) 21.359 12.892 ( 13.101 7.564 -22.911) 27.455 13.932 ( 13.128 7.580 -4.895) 15.930 14.480 ( -0.335 -0.193 -8.449) 8.458 15.469 ( -18.210 -10.513 8.816) 22.800 16.075 ( -1.129 -0.652 -1.948) 2.344 17.119 ( -0.282 -0.163 -0.556) 0.645 17.903 ( -13.768 -7.949 21.497) 26.737 19.172 ( 9.515 5.493 -11.375) 15.815 ======================= Grid point 695 (111/293) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.011 ( -8.683 -5.013 0.105) 10.027 4.507 ( -0.400 -0.231 -4.989) 5.010 8.285 ( -7.673 -4.430 8.854) 12.526 9.802 ( 12.646 7.301 -5.206) 15.502 11.784 ( 17.173 9.915 -17.900) 26.714 12.129 ( 4.008 2.314 4.954) 6.779 12.195 ( -18.476 -10.667 15.617) 26.439 13.179 ( 12.373 7.143 -29.147) 32.460 14.185 ( 8.281 4.781 -4.163) 10.429 14.431 ( -6.472 -3.737 -5.815) 9.469 15.127 ( -8.636 -4.986 12.615) 16.081 16.049 ( -0.891 -0.515 -1.785) 2.061 17.105 ( -0.054 -0.031 -1.240) 1.242 17.537 ( -18.188 -10.501 19.349) 28.556 19.425 ( 11.752 6.785 -7.012) 15.275 ======================= Grid point 697 (112/293) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -4.517 -2.608 -1.509) 5.429 4.450 ( -4.683 -2.704 -4.968) 7.343 8.065 ( -11.530 -6.657 4.826) 14.161 10.022 ( 5.905 3.409 -2.555) 7.281 11.761 ( -18.718 -10.807 9.222) 23.498 11.953 ( -0.075 -0.043 0.026) 0.091 12.264 ( 4.001 2.310 -7.637) 8.926 13.455 ( 10.644 6.145 -33.959) 36.115 14.181 ( -11.202 -6.468 1.251) 12.995 14.292 ( 1.128 0.651 0.127) 1.309 15.125 ( 6.146 3.548 11.916) 13.870 16.043 ( 0.348 0.201 -2.304) 2.339 17.088 ( -17.058 -9.848 9.016) 21.662 17.159 ( 1.681 0.970 3.042) 3.608 19.674 ( 9.781 5.647 -2.908) 11.663 ======================= Grid point 698 (113/293) ======================= q-point: (-0.39 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( -1.741 -1.005 -4.149) 4.611 4.292 ( -9.252 -5.342 -5.027) 11.807 7.760 ( -15.420 -8.903 -0.549) 17.814 10.007 ( -8.854 -5.112 10.931) 14.967 11.413 ( -10.156 -5.864 -9.183) 14.895 11.892 ( -4.331 -2.501 5.493) 7.429 12.175 ( -12.182 -7.033 -4.400) 14.738 13.508 ( -6.223 -3.593 -14.299) 16.003 14.170 ( 10.673 6.162 -13.538) 18.307 14.253 ( -3.959 -2.286 5.727) 7.328 15.301 ( 7.812 4.510 11.295) 14.454 16.063 ( 1.281 0.739 -3.009) 3.352 16.665 ( -17.239 -9.953 -0.653) 19.916 17.327 ( 11.078 6.396 4.199) 13.464 19.861 ( 6.585 3.802 -0.254) 7.608 ======================= Grid point 699 (114/293) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( -2.914 -1.682 -5.668) 6.591 4.029 ( -13.890 -8.019 -4.868) 16.761 7.355 ( -20.557 -11.869 -6.034) 24.492 9.609 ( -24.605 -14.206 25.086) 37.902 11.320 ( 0.752 0.434 -28.527) 28.541 11.698 ( -22.348 -12.902 0.531) 25.810 11.833 ( -6.342 -3.662 11.488) 13.624 13.351 ( -5.478 -3.163 -0.153) 6.327 14.141 ( -5.234 -3.022 11.356) 12.864 14.460 ( 11.651 6.727 -22.402) 26.131 15.427 ( 2.085 1.204 9.571) 9.869 16.095 ( 1.461 0.843 -3.332) 3.735 16.358 ( -8.381 -4.839 -14.100) 17.101 17.647 ( 16.607 9.588 8.650) 21.037 19.976 ( 3.622 2.091 1.295) 4.379 ======================= Grid point 700 (115/293) ======================= q-point: (-0.28 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( -7.759 -4.480 -3.257) 9.533 3.661 ( -18.390 -10.617 -3.780) 21.569 6.810 ( -27.837 -16.072 -9.977) 33.656 8.974 ( -29.739 -17.170 29.689) 45.394 11.045 ( -31.697 -18.300 9.826) 37.896 11.379 ( 3.316 1.915 -37.699) 37.893 11.813 ( 3.261 1.883 11.511) 12.111 13.283 ( -0.625 -0.361 3.014) 3.099 14.040 ( -3.275 -1.891 16.213) 16.649 14.603 ( -1.191 -0.688 -22.135) 22.177 15.389 ( -3.168 -1.829 -0.947) 3.779 16.127 ( 1.373 0.793 -3.313) 3.673 16.322 ( 4.328 2.499 -17.368) 18.073 18.051 ( 18.221 10.520 12.393) 24.419 20.033 ( 1.606 0.927 2.386) 3.023 ======================= Grid point 701 (116/293) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -22.175 -12.803 -0.587) 25.612 3.391 ( -13.440 -7.760 5.030) 16.314 6.073 ( -37.253 -21.508 -9.761) 44.110 8.310 ( -27.883 -16.099 30.526) 44.368 10.324 ( -30.787 -17.775 12.339) 37.630 11.442 ( 1.906 1.100 -41.784) 41.842 11.988 ( 12.244 7.069 11.154) 18.008 13.301 ( 1.154 0.666 2.277) 2.639 14.004 ( 0.274 0.158 19.719) 19.722 14.363 ( -17.993 -10.389 -25.460) 32.862 15.392 ( 3.516 2.030 -8.856) 9.742 16.157 ( 1.265 0.730 -3.305) 3.613 16.471 ( 7.213 4.164 -14.361) 16.601 18.446 ( 15.996 9.235 14.603) 23.546 20.060 ( 1.026 0.592 3.745) 3.928 ======================= Grid point 702 (117/293) ======================= q-point: (-0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -23.710 -13.689 6.111) 28.052 3.040 ( -16.891 -9.752 18.744) 27.051 5.119 ( -46.249 -26.702 -3.171) 53.498 7.733 ( -22.503 -12.992 29.985) 39.677 9.662 ( -27.936 -16.129 6.307) 32.869 11.461 ( -0.185 -0.107 -43.138) 43.139 12.361 ( 19.720 11.385 8.692) 24.373 13.194 ( -15.531 -8.967 -8.495) 19.844 13.998 ( -7.468 -4.312 -24.083) 25.581 14.051 ( 3.677 2.123 21.811) 22.220 15.506 ( 5.814 3.357 -8.450) 10.793 16.183 ( 0.920 0.531 -3.625) 3.778 16.599 ( 3.243 1.872 -10.713) 11.349 18.757 ( 10.887 6.286 14.259) 19.010 20.093 ( 2.181 1.259 5.793) 6.317 ======================= Grid point 703 (118/293) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -20.211 -11.669 17.110) 28.938 2.650 ( -16.963 -9.794 33.833) 39.094 4.013 ( -49.489 -28.572 10.431) 58.089 7.294 ( -16.117 -9.305 28.719) 34.222 8.977 ( -35.696 -20.609 -5.999) 41.652 11.438 ( -1.639 -0.946 -42.893) 42.934 12.387 ( -32.098 -18.532 -39.205) 53.952 13.084 ( 25.599 14.779 19.518) 35.421 14.063 ( 9.065 5.234 -14.541) 17.917 14.162 ( 5.887 3.399 23.015) 23.998 15.647 ( 6.733 3.887 -6.013) 9.829 16.195 ( 0.006 0.003 -4.408) 4.408 16.598 ( -3.417 -1.973 -5.713) 6.943 18.920 ( 2.875 1.660 9.621) 10.177 20.169 ( 4.659 2.690 7.911) 9.566 ======================= Grid point 704 (119/293) ======================= q-point: (-0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -8.529 -4.924 29.757) 31.344 2.252 ( -20.024 -11.561 37.454) 44.016 3.009 ( -33.301 -19.226 36.591) 53.080 6.996 ( -10.265 -5.927 27.216) 29.685 7.853 ( -63.954 -36.924 -7.846) 74.263 11.395 ( -2.006 -1.158 -41.862) 41.926 11.638 ( -25.937 -14.975 -42.659) 52.122 13.801 ( 30.396 17.549 8.910) 36.212 14.297 ( 10.856 6.268 -2.708) 12.824 14.307 ( 6.606 3.814 23.892) 25.080 15.830 ( 10.168 5.871 -3.701) 12.311 16.178 ( -1.521 -0.878 -5.621) 5.889 16.449 ( -9.411 -5.433 0.782) 10.895 18.867 ( -7.210 -4.162 0.320) 8.331 20.296 ( 5.871 3.389 7.703) 10.261 ======================= Grid point 706 (120/293) ======================= q-point: ( 0.06 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 30.056 12.632 19.142) 37.807 2.593 ( 15.546 19.805 33.244) 41.702 3.620 ( 18.537 51.019 19.131) 57.555 7.003 ( -8.796 19.250 25.740) 33.324 8.913 ( 38.297 36.717 -8.103) 53.669 11.417 ( 0.568 3.846 -40.172) 40.360 12.112 ( 12.728 34.407 -41.050) 55.054 13.172 ( -24.465 -31.135 21.781) 45.192 14.000 ( -9.122 -8.565 -14.478) 19.136 14.452 ( 10.902 -8.493 21.100) 25.223 15.696 ( -3.915 -7.055 -4.046) 9.026 16.061 ( -9.428 1.554 -6.287) 11.438 16.647 ( 8.096 4.972 -4.785) 10.638 18.978 ( 5.044 0.172 8.144) 9.581 20.184 ( -5.153 -6.177 7.539) 11.025 ======================= Grid point 707 (121/293) ======================= q-point: ( 0.11 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 26.525 9.812 14.168) 31.632 3.168 ( 26.917 20.192 15.517) 37.054 4.582 ( 34.280 48.983 5.490) 60.039 7.138 ( -0.344 24.265 24.311) 34.350 9.694 ( 25.439 14.191 1.746) 29.182 11.509 ( 5.248 5.109 -36.832) 37.553 12.375 ( -18.736 2.366 9.099) 20.963 12.720 ( 3.434 -5.634 -15.128) 16.505 13.894 ( 3.375 4.933 -23.376) 24.128 14.484 ( 0.968 -5.943 22.368) 23.164 15.581 ( -2.855 -3.381 -5.534) 7.085 15.955 ( -3.372 -0.234 -7.396) 8.132 16.775 ( 3.830 0.423 -9.570) 10.317 19.003 ( 1.435 -6.039 15.857) 17.029 20.002 ( -9.500 -5.697 4.447) 11.937 ======================= Grid point 708 (122/293) ======================= q-point: ( 0.17 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( 21.980 7.950 8.725) 24.949 3.810 ( 23.906 18.821 2.908) 30.565 5.673 ( 40.515 39.870 -3.708) 56.964 7.462 ( 7.184 29.062 21.696) 36.972 10.125 ( 13.848 7.770 8.151) 17.848 11.698 ( 10.419 5.411 -29.783) 32.014 12.042 ( -12.822 -1.719 12.075) 17.697 12.633 ( -7.492 -8.745 -9.078) 14.664 14.193 ( 13.473 9.723 -19.520) 25.634 14.386 ( -5.551 -0.137 15.953) 16.892 15.563 ( 3.592 0.739 -7.641) 8.475 15.940 ( 1.679 -0.482 -6.497) 6.728 16.793 ( 0.161 -2.951 -11.968) 12.328 18.925 ( -1.617 -8.866 19.798) 21.753 19.746 ( -13.588 -5.867 -0.062) 14.801 ======================= Grid point 709 (123/293) ======================= q-point: ( 0.22 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 17.083 7.408 3.609) 18.966 4.308 ( 14.498 14.123 -3.291) 20.505 6.700 ( 38.833 29.566 -8.077) 49.471 7.931 ( 11.935 31.525 17.057) 37.779 10.352 ( 5.804 5.603 9.298) 12.310 11.838 ( 1.801 -1.297 9.857) 10.104 12.069 ( 11.017 11.623 -24.946) 29.644 12.411 ( -6.997 -5.988 -7.064) 11.606 14.114 ( -11.901 -4.717 20.279) 23.981 14.544 ( 5.711 5.546 -17.573) 19.292 15.755 ( 13.855 6.227 -4.576) 15.864 15.989 ( 3.894 0.447 -5.552) 6.796 16.743 ( -1.137 -3.803 -12.767) 13.370 18.773 ( -4.951 -11.056 19.961) 23.349 19.445 ( -14.346 -5.222 -4.170) 15.826 ======================= Grid point 710 (124/293) ======================= q-point: ( 0.28 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( 11.977 7.503 0.838) 14.158 4.565 ( 2.740 8.381 -5.574) 10.431 7.552 ( 31.735 19.983 -6.780) 38.110 8.455 ( 13.082 29.920 11.037) 34.470 10.472 ( 3.470 5.669 5.055) 8.350 11.893 ( 4.447 0.763 11.452) 12.309 12.276 ( 3.222 -0.222 -8.465) 9.061 12.489 ( 13.569 14.295 -24.582) 31.508 13.857 ( -13.107 -2.118 20.512) 24.434 14.583 ( -1.261 -2.008 -14.989) 15.175 15.962 ( 4.860 -4.574 1.746) 6.899 16.125 ( 6.138 6.804 -0.843) 9.202 16.746 ( 5.854 1.338 -12.885) 14.216 18.537 ( -8.936 -12.158 16.457) 22.327 19.186 ( -10.010 -4.267 -5.899) 12.377 ======================= Grid point 711 (125/293) ======================= q-point: ( 0.33 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 6.863 2.443 0.496) 7.301 4.596 ( -7.237 9.480 -5.854) 13.286 8.139 ( 18.613 10.247 0.274) 21.249 8.945 ( 12.360 25.272 4.828) 28.544 10.651 ( 10.289 9.943 -4.790) 15.088 11.962 ( 3.504 -0.546 8.502) 9.212 12.429 ( 11.613 4.822 -11.551) 17.074 12.822 ( 5.490 11.903 -14.301) 19.400 13.686 ( -4.839 3.616 14.041) 15.286 14.518 ( -1.989 -3.536 -12.552) 13.191 15.884 ( -4.049 -12.470 3.408) 13.547 16.188 ( -3.724 5.756 0.611) 6.883 16.960 ( 10.931 5.082 -4.555) 12.887 18.262 ( -9.073 -10.808 15.185) 20.730 19.033 ( -2.943 -3.580 -8.556) 9.730 ======================= Grid point 712 (126/293) ======================= q-point: ( 0.39 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( -4.183 -10.174 0.904) 11.037 4.623 ( -6.743 20.659 -4.953) 22.289 8.382 ( 4.055 1.604 7.885) 9.011 9.370 ( 11.160 20.117 -0.800) 23.019 11.038 ( 20.187 14.442 -15.454) 29.239 12.014 ( 3.572 -0.950 7.404) 8.276 12.698 ( 10.778 4.133 -13.197) 17.533 12.827 ( -10.584 5.779 1.715) 12.181 13.818 ( 9.664 9.864 -1.833) 13.930 14.472 ( 0.089 -1.998 -9.538) 9.745 15.599 ( -12.144 -15.135 5.620) 20.202 16.169 ( -5.248 6.363 -0.387) 8.257 17.109 ( 2.464 1.194 -0.043) 2.739 18.013 ( -9.310 -9.956 19.638) 23.905 19.042 ( 7.269 -1.246 -11.777) 13.895 ======================= Grid point 713 (127/293) ======================= q-point: ( 0.44 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( -7.443 -9.880 1.132) 12.421 4.701 ( -9.059 20.779 -4.156) 23.045 8.358 ( -4.757 -2.940 9.708) 11.203 9.718 ( 9.286 14.843 -4.415) 18.056 11.557 ( 21.903 13.346 -19.721) 32.354 12.061 ( 3.477 -1.907 7.404) 8.399 12.515 ( -21.710 2.681 12.617) 25.252 13.013 ( 13.414 4.912 -24.000) 27.930 14.077 ( 9.066 5.367 -4.860) 11.603 14.472 ( -0.115 -0.116 -7.247) 7.249 15.236 ( -12.446 -11.060 8.960) 18.908 16.137 ( -5.623 6.117 -0.453) 8.321 17.111 ( -0.836 -0.487 -0.696) 1.192 17.710 ( -14.321 -11.307 20.587) 27.510 19.234 ( 14.294 0.430 -9.181) 16.994 ======================= Grid point 714 (128/293) ======================= q-point: (-0.50 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -4.814 -7.781 0.489) 9.163 4.708 ( -13.674 19.550 -4.130) 24.213 8.193 ( -9.650 -4.752 7.027) 12.848 9.971 ( 6.216 8.912 -4.590) 11.795 11.903 ( 4.555 1.300 -4.116) 6.275 12.079 ( -9.660 0.777 3.289) 10.234 12.206 ( -5.605 4.166 1.428) 7.128 13.291 ( 13.653 4.377 -29.901) 33.160 14.136 ( -0.960 -11.020 -0.447) 11.071 14.436 ( -5.638 5.666 -4.412) 9.130 15.078 ( 1.336 0.416 11.197) 11.284 16.106 ( -4.489 5.601 -0.863) 7.230 17.115 ( 1.582 1.157 -0.598) 2.049 17.314 ( -18.045 -11.645 15.834) 26.683 19.490 ( 14.700 -0.300 -4.696) 15.435 ======================= Grid point 715 (129/293) ======================= q-point: (-0.44 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -1.241 -6.281 -1.299) 6.533 4.617 ( -18.435 17.792 -4.688) 26.045 7.942 ( -13.818 -5.600 2.192) 15.070 10.071 ( -1.793 0.927 2.426) 3.156 11.685 ( -20.833 2.311 2.734) 21.139 11.946 ( -4.936 0.047 1.823) 5.262 12.234 ( -2.214 -5.178 -7.933) 9.729 13.471 ( 2.757 -6.419 -21.633) 22.733 14.024 ( 6.765 -3.903 -6.644) 10.254 14.390 ( -7.799 5.870 1.589) 9.890 15.210 ( 8.236 4.887 10.801) 14.435 16.099 ( -2.489 4.875 -1.753) 5.747 16.874 ( -18.606 -10.474 5.604) 22.075 17.230 ( 7.268 5.443 2.748) 9.487 19.710 ( 12.121 -2.012 -1.472) 12.375 ======================= Grid point 716 (130/293) ======================= q-point: (-0.39 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -0.499 -6.898 -2.477) 7.346 4.432 ( -22.729 15.932 -6.044) 28.407 7.606 ( -18.952 -6.404 -3.387) 20.289 9.873 ( -17.892 -7.889 17.156) 26.013 11.446 ( -11.489 6.848 -15.981) 20.840 11.840 ( -6.958 -2.628 1.758) 7.643 11.980 ( -15.773 -11.017 1.131) 19.273 13.312 ( -2.875 -15.141 -1.393) 15.474 14.255 ( 2.466 4.536 -9.679) 10.970 14.309 ( 3.979 4.505 -5.074) 7.866 15.391 ( 6.024 4.760 10.440) 12.959 16.108 ( -1.592 2.987 -2.462) 4.186 16.499 ( -14.023 -6.274 -7.492) 17.092 17.485 ( 13.579 9.636 6.904) 18.025 19.861 ( 8.949 -3.637 0.376) 9.668 ======================= Grid point 717 (131/293) ======================= q-point: (-0.33 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -4.496 -8.983 -0.451) 10.056 4.160 ( -26.157 13.822 -7.823) 30.601 7.156 ( -26.086 -7.911 -8.371) 28.516 9.350 ( -29.907 -11.762 26.327) 41.544 11.321 ( -16.265 -13.390 -4.645) 21.573 11.483 ( -14.819 4.288 -20.852) 25.938 11.810 ( -1.478 0.890 9.597) 9.751 13.159 ( 2.834 -15.314 3.968) 16.071 14.164 ( -7.598 4.002 11.770) 14.570 14.553 ( 8.439 2.968 -22.728) 24.425 15.459 ( -3.151 2.553 6.285) 7.480 16.081 ( -0.612 -3.124 -5.484) 6.341 16.346 ( -1.874 3.845 -14.882) 15.485 17.860 ( 17.135 11.851 11.134) 23.623 19.948 ( 6.259 -4.694 1.413) 7.950 ======================= Grid point 718 (132/293) ======================= q-point: (-0.28 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -12.371 -8.927 4.809) 15.996 3.816 ( -28.158 10.414 -6.725) 30.766 6.542 ( -35.733 -10.702 -10.631) 38.787 8.687 ( -32.514 -12.515 28.965) 45.308 10.685 ( -30.285 -17.211 11.554) 36.700 11.475 ( -1.938 6.929 -36.021) 36.733 11.879 ( 6.665 4.715 8.887) 12.068 13.102 ( 8.092 -16.050 4.710) 18.582 14.113 ( -4.527 7.055 14.697) 16.920 14.556 ( -9.844 -2.811 -21.702) 23.996 15.402 ( -2.883 2.853 -5.080) 6.501 16.070 ( 3.696 -5.370 -5.127) 8.294 16.445 ( 4.433 8.182 -14.194) 16.972 18.271 ( 16.703 11.644 14.215) 24.832 19.991 ( 4.668 -4.928 2.370) 7.189 ======================= Grid point 719 (133/293) ======================= q-point: (-0.22 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -21.093 -3.725 9.588) 23.467 3.413 ( -28.318 6.240 2.797) 29.132 5.718 ( -46.640 -13.956 -7.571) 49.268 8.029 ( -28.730 -13.722 29.111) 43.141 10.039 ( -29.030 -9.590 10.591) 32.356 11.497 ( -2.182 4.105 -39.841) 40.112 12.135 ( 16.474 7.140 9.975) 20.539 13.076 ( 6.698 -19.252 1.145) 20.416 14.136 ( -4.297 4.434 0.734) 6.218 14.229 ( -18.918 2.360 -9.639) 21.363 15.451 ( 3.790 3.473 -8.553) 9.979 16.081 ( 4.467 -6.970 -4.045) 9.214 16.603 ( 3.640 7.632 -12.515) 15.104 18.634 ( 12.984 9.668 15.519) 22.425 20.022 ( 4.636 -4.116 3.906) 7.327 ======================= Grid point 720 (134/293) ======================= q-point: (-0.17 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -26.829 6.500 13.262) 30.626 2.990 ( -26.616 3.906 19.869) 33.443 4.698 ( -55.040 -15.065 1.920) 57.097 7.455 ( -20.928 -16.411 27.890) 38.538 9.500 ( -31.078 1.569 2.359) 31.207 11.478 ( -3.274 1.400 -41.071) 41.225 12.561 ( 20.497 8.504 4.588) 22.661 12.812 ( -12.486 -23.683 -10.343) 28.701 13.921 ( -2.644 -2.856 -20.203) 20.574 14.286 ( 0.262 14.936 19.068) 24.223 15.566 ( 5.900 2.348 -6.775) 9.285 16.081 ( 4.418 -8.525 -4.510) 10.608 16.688 ( -1.849 5.573 -9.452) 11.127 18.887 ( 6.684 6.772 13.935) 16.873 20.080 ( 6.116 -2.412 6.022) 8.915 ======================= Grid point 725 (135/293) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 20.018 11.848 14.826) 27.584 3.589 ( 25.364 22.224 0.661) 33.729 5.551 ( 24.908 47.416 -4.960) 53.789 7.730 ( 1.044 34.416 25.426) 42.803 9.987 ( 14.464 17.340 8.803) 24.236 11.589 ( 7.463 2.837 -34.079) 35.001 12.207 ( -10.445 -13.021 11.736) 20.405 12.729 ( -12.634 1.543 -6.082) 14.107 14.120 ( 8.545 14.027 -23.574) 28.731 14.388 ( 5.316 -1.685 15.558) 16.528 15.515 ( 1.357 -3.069 -7.130) 7.880 15.955 ( -4.610 0.229 -5.330) 7.051 16.730 ( 2.797 -4.954 -12.048) 13.324 18.813 ( 1.614 -13.097 17.367) 21.812 19.908 ( -10.560 -3.733 2.546) 11.486 ======================= Grid point 726 (136/293) ======================= q-point: ( 0.17 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 19.719 6.953 11.677) 23.948 4.199 ( 19.672 20.653 -7.997) 29.622 6.437 ( 29.566 36.516 -8.973) 47.834 8.151 ( 5.238 38.675 20.886) 44.266 10.325 ( 7.256 13.446 10.265) 18.407 11.755 ( 7.025 0.462 -7.664) 10.407 12.055 ( 2.066 2.737 -10.524) 11.068 12.495 ( -11.042 -3.986 -2.950) 12.105 14.221 ( -3.982 -2.027 11.905) 12.716 14.528 ( 4.474 8.402 -15.119) 17.866 15.601 ( 9.638 3.339 -5.505) 11.591 15.934 ( 1.701 0.195 -5.690) 5.942 16.699 ( 0.672 -6.154 -12.714) 14.141 18.684 ( -0.295 -15.382 18.833) 24.318 19.653 ( -14.573 -3.701 -1.463) 15.107 ======================= Grid point 727 (137/293) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 17.437 2.800 8.077) 19.420 4.633 ( 7.761 19.704 -9.944) 23.396 7.249 ( 29.118 25.608 -8.977) 39.802 8.636 ( 6.612 37.577 14.522) 40.825 10.509 ( 1.305 10.906 6.881) 12.961 11.825 ( 3.850 -0.074 12.033) 12.634 12.270 ( 1.976 6.465 -9.776) 11.886 12.388 ( 9.478 6.300 -20.690) 23.613 14.067 ( -11.295 0.308 17.883) 21.153 14.583 ( -1.205 -1.687 -17.160) 17.285 15.820 ( 8.268 -1.195 2.526) 8.728 16.042 ( 9.351 6.008 -6.020) 12.640 16.668 ( 2.771 -3.052 -12.856) 13.501 18.498 ( -3.167 -16.437 18.196) 24.724 19.360 ( -14.736 -3.950 -4.754) 15.980 ======================= Grid point 728 (138/293) ======================= q-point: ( 0.28 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 12.100 -3.942 5.261) 13.771 4.871 ( -3.323 23.294 -7.839) 24.802 7.902 ( 22.840 14.893 -4.159) 27.583 9.090 ( 5.758 32.686 7.549) 34.037 10.642 ( 3.109 11.888 -0.199) 12.289 11.893 ( 3.663 -0.466 9.410) 10.108 12.329 ( 5.123 5.608 -5.232) 9.223 12.786 ( 15.138 15.315 -22.975) 31.489 13.884 ( -11.975 5.079 16.943) 21.360 14.507 ( -2.097 -5.634 -14.718) 15.898 15.814 ( -0.928 -9.832 2.659) 10.227 16.248 ( 3.865 5.870 0.989) 7.098 16.802 ( 12.152 4.027 -8.970) 15.631 18.262 ( -5.600 -15.385 16.269) 23.081 19.097 ( -10.157 -5.188 -7.031) 13.398 ======================= Grid point 729 (139/293) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 3.244 -11.376 3.609) 12.368 5.026 ( -8.601 30.037 -4.466) 31.562 8.285 ( 10.700 4.326 4.052) 12.232 9.475 ( 4.863 27.187 0.777) 27.630 10.900 ( 12.305 14.827 -9.805) 21.620 11.941 ( 3.325 -1.409 6.709) 7.619 12.542 ( 11.147 6.648 -9.740) 16.227 13.066 ( -1.955 12.939 -9.596) 16.227 13.829 ( -0.951 9.891 6.583) 11.919 14.437 ( 0.320 -4.364 -10.586) 11.455 15.620 ( -7.644 -13.656 3.098) 15.954 16.311 ( -2.354 6.812 1.335) 7.330 17.043 ( 8.365 3.349 -0.792) 9.045 18.026 ( -5.508 -12.915 16.806) 21.899 18.939 ( -0.716 -6.242 -9.908) 11.732 ======================= Grid point 730 (140/293) ======================= q-point: ( 0.39 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( -3.170 -12.922 3.664) 13.800 5.163 ( -12.142 32.781 -2.633) 35.056 8.375 ( 0.078 -2.282 8.938) 9.225 9.786 ( 3.671 20.993 -3.691) 21.628 11.331 ( 19.746 14.524 -16.678) 29.648 11.979 ( 3.275 -2.624 6.263) 7.539 12.789 ( 7.957 5.300 -12.079) 15.405 12.997 ( -14.749 11.637 -0.168) 18.787 13.997 ( 6.722 6.549 -3.552) 10.034 14.441 ( 2.886 -0.547 -6.841) 7.445 15.322 ( -10.892 -11.707 4.571) 16.630 16.318 ( -5.639 8.581 1.506) 10.378 17.119 ( -0.076 0.109 0.750) 0.761 17.793 ( -8.682 -12.034 19.296) 24.342 18.976 ( 11.693 -5.668 -10.301) 16.582 ======================= Grid point 731 (141/293) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( -4.108 -10.355 3.736) 11.750 5.237 ( -17.021 31.842 -2.185) 36.172 8.285 ( -5.915 -4.495 8.403) 11.217 10.009 ( 2.193 13.858 -4.994) 14.893 11.773 ( 15.360 7.866 -14.747) 22.700 12.001 ( 4.210 -4.055 4.036) 7.104 12.667 ( -24.239 12.086 4.783) 27.504 13.114 ( 11.491 6.297 -21.744) 25.387 14.055 ( -1.054 -8.487 -1.468) 8.677 14.513 ( 2.611 4.771 -5.423) 7.680 15.100 ( -4.875 -2.157 6.923) 8.738 16.289 ( -7.689 8.741 1.456) 11.732 17.109 ( 0.083 0.495 0.049) 0.504 17.476 ( -14.280 -11.968 17.118) 25.302 19.181 ( 17.405 -5.836 -6.404) 19.443 ======================= Grid point 733 (142/293) ======================= q-point: (-0.50 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( -2.194 -6.534 2.694) 7.400 5.201 ( -22.012 28.465 -2.618) 36.078 8.103 ( -10.127 -4.265 4.644) 11.930 10.121 ( -1.103 5.927 -2.231) 6.429 11.868 ( -2.724 -4.199 5.656) 7.553 12.088 ( 3.848 -2.772 -9.442) 10.566 12.373 ( -23.421 14.220 -1.924) 27.468 13.346 ( 6.967 -0.122 -21.347) 22.456 13.883 ( 0.571 -11.182 -2.774) 11.535 14.571 ( -4.526 7.099 -3.028) 8.947 15.126 ( 5.828 3.680 9.365) 11.629 16.241 ( -6.799 7.386 0.648) 10.060 17.073 ( -15.041 -9.267 8.036) 19.409 17.186 ( 2.379 3.277 4.004) 5.695 19.415 ( 16.850 -7.146 -2.841) 18.522 ======================= Grid point 734 (143/293) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( -1.200 -3.243 1.372) 3.721 5.048 ( -25.859 23.429 -4.185) 35.144 7.855 ( -14.990 -2.964 -0.592) 15.292 10.053 ( -9.996 -2.452 6.448) 12.145 11.702 ( -10.297 -5.059 3.226) 11.918 12.005 ( -8.247 0.428 -1.983) 8.493 12.148 ( -17.652 5.662 -11.104) 21.609 13.218 ( -5.933 -16.963 -0.982) 17.997 14.050 ( 17.019 4.635 -21.623) 27.905 14.487 ( -10.347 3.491 3.304) 11.409 15.311 ( 8.976 5.291 9.383) 14.022 16.208 ( -4.896 5.623 -0.353) 7.464 16.699 ( -16.520 -6.743 -0.528) 17.852 17.373 ( 10.404 8.992 5.937) 14.978 19.603 ( 14.112 -8.510 -0.867) 16.502 ======================= Grid point 735 (144/293) ======================= q-point: (-0.39 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( -3.699 -0.996 1.999) 4.321 4.787 ( -28.326 17.767 -7.111) 34.185 7.522 ( -21.800 -1.868 -6.004) 22.689 9.714 ( -23.299 -8.156 17.450) 30.230 11.433 ( -12.519 -13.030 -2.182) 18.200 11.832 ( -14.089 -1.477 3.157) 14.513 11.923 ( -13.138 12.789 -14.902) 23.627 12.967 ( -1.503 -18.659 4.776) 19.319 14.332 ( -7.970 1.767 5.361) 9.766 14.387 ( 13.783 3.815 -20.866) 25.296 15.491 ( 4.679 5.488 8.574) 11.204 16.141 ( -7.802 -0.037 -2.418) 8.168 16.447 ( -7.369 1.331 -11.200) 13.472 17.700 ( 15.325 11.984 10.371) 22.046 19.729 ( 11.126 -9.379 -0.059) 14.552 ======================= Grid point 736 (145/293) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -9.396 1.268 6.067) 11.256 4.439 ( -29.993 12.873 -9.976) 34.129 7.055 ( -31.199 -2.132 -9.955) 32.818 9.136 ( -32.310 -10.601 23.632) 41.410 10.968 ( -22.267 -18.169 6.265) 29.414 11.659 ( -9.247 7.774 -10.597) 16.070 11.895 ( -3.481 9.105 -9.009) 13.273 12.813 ( 4.566 -18.271 5.188) 19.535 14.233 ( -4.253 1.816 11.674) 12.557 14.589 ( 4.736 0.934 -21.662) 22.194 15.537 ( -5.695 5.429 3.463) 8.596 16.004 ( -3.139 -3.607 -7.616) 8.993 16.460 ( 2.095 6.526 -12.822) 14.539 18.104 ( 16.952 12.544 14.056) 25.343 19.803 ( 8.806 -9.580 0.320) 13.016 ======================= Grid point 737 (146/293) ======================= q-point: (-0.28 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -15.763 5.128 11.717) 20.299 4.027 ( -31.318 10.367 -8.658) 34.107 6.402 ( -42.559 -3.196 -10.145) 43.868 8.441 ( -34.489 -13.518 25.478) 44.959 10.414 ( -24.611 -9.344 11.315) 28.654 11.622 ( -5.309 7.438 -24.414) 26.069 11.988 ( 6.156 5.633 0.192) 8.346 12.751 ( 8.286 -17.351 3.049) 19.468 14.220 ( -0.804 2.642 9.273) 9.676 14.529 ( -11.681 0.049 -16.654) 20.342 15.485 ( -4.013 5.245 -5.644) 8.688 15.963 ( 1.662 -4.279 -5.364) 7.060 16.597 ( 5.158 6.702 -13.018) 15.524 18.498 ( 15.027 10.981 16.495) 24.869 19.851 ( 7.837 -8.940 1.047) 11.935 ======================= Grid point 745 (147/293) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 14.885 4.080 9.636) 18.195 4.622 ( 18.597 22.160 -10.807) 30.882 7.080 ( 21.843 28.283 -10.185) 37.159 8.906 ( 5.865 36.487 19.100) 41.600 10.664 ( -1.821 20.599 7.264) 21.918 11.758 ( 4.745 1.037 8.469) 9.763 12.135 ( 17.641 5.298 -25.749) 31.659 12.491 ( -13.269 3.388 1.874) 13.822 14.211 ( -3.920 1.734 13.582) 14.243 14.593 ( -1.856 -2.267 -19.237) 19.459 15.667 ( 9.446 1.379 2.270) 9.813 15.974 ( 4.130 5.000 -7.520) 9.930 16.579 ( 3.131 -5.235 -12.456) 13.870 18.336 ( 0.893 -19.499 16.813) 25.762 19.588 ( -15.551 -3.290 -2.017) 16.023 ======================= Grid point 746 (148/293) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( 13.092 -3.168 7.101) 15.227 5.084 ( 8.304 25.448 -7.881) 27.904 7.680 ( 21.238 17.611 -7.023) 28.470 9.334 ( 4.437 32.068 11.048) 34.206 10.790 ( -3.750 17.381 1.643) 17.857 11.837 ( 3.186 1.393 10.256) 10.829 12.386 ( -4.075 7.939 0.955) 8.975 12.599 ( 22.598 12.467 -25.373) 36.192 14.139 ( -9.290 7.117 14.031) 18.271 14.483 ( -3.153 -8.171 -17.934) 19.958 15.721 ( 1.568 -8.076 3.827) 9.073 16.193 ( 9.378 8.326 -1.364) 12.615 16.647 ( 8.765 1.129 -10.951) 14.072 18.147 ( -0.862 -18.693 16.316) 24.827 19.274 ( -15.901 -5.104 -4.672) 17.341 ======================= Grid point 747 (149/293) ======================= q-point: ( 0.28 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 7.386 -9.976 5.952) 13.766 5.424 ( -0.595 31.234 -3.751) 31.464 8.114 ( 14.873 6.424 -0.353) 16.205 9.689 ( 3.094 27.381 2.693) 27.686 10.931 ( 1.821 16.664 -4.812) 17.440 11.885 ( 1.951 -0.266 5.873) 6.194 12.487 ( 4.425 10.255 -2.121) 11.368 13.079 ( 15.637 14.242 -19.649) 28.869 14.045 ( -10.702 9.615 7.376) 16.168 14.380 ( 0.183 -5.583 -9.691) 11.186 15.596 ( -4.140 -11.894 3.005) 12.947 16.367 ( 3.178 6.448 1.787) 7.407 16.890 ( 13.467 4.643 -3.798) 14.743 17.948 ( -2.031 -15.994 15.343) 22.256 18.970 ( -11.266 -7.832 -6.968) 15.389 ======================= Grid point 748 (150/293) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( 1.394 -13.131 6.619) 14.771 5.686 ( -7.491 35.659 -1.194) 36.457 8.303 ( 5.556 -2.448 6.180) 8.663 9.974 ( 0.977 22.798 -3.320) 23.059 11.201 ( 11.540 14.747 -11.303) 21.873 11.908 ( 2.048 -2.065 4.115) 5.039 12.697 ( 7.957 9.427 -7.712) 14.548 13.326 ( -3.631 12.748 -11.166) 17.332 14.010 ( -1.664 5.937 -1.426) 6.329 14.388 ( 2.411 1.651 -2.146) 3.625 15.373 ( -7.704 -10.777 3.097) 13.605 16.459 ( -0.628 8.241 2.344) 8.591 17.095 ( 5.032 2.096 1.785) 5.736 17.768 ( -2.921 -12.847 15.828) 20.594 18.779 ( 0.641 -10.090 -8.959) 13.509 ======================= Grid point 749 (151/293) ======================= q-point: ( 0.39 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( -1.299 -11.762 7.573) 14.049 5.855 ( -14.604 36.207 -0.241) 39.042 8.291 ( -0.792 -6.360 8.282) 10.473 10.162 ( -1.782 16.619 -5.462) 17.584 11.576 ( 16.472 9.610 -14.359) 23.872 11.908 ( 1.718 -4.644 3.721) 6.193 12.919 ( 6.520 8.385 -12.717) 16.569 13.268 ( -14.985 14.511 -6.762) 21.928 14.015 ( -2.454 -5.313 -1.255) 5.986 14.481 ( 4.791 5.546 -0.998) 7.396 15.176 ( -6.026 -2.994 3.440) 7.557 16.501 ( -5.357 9.788 2.875) 11.523 17.122 ( -0.984 0.366 1.655) 1.961 17.557 ( -8.571 -11.489 15.926) 21.427 18.815 ( 14.603 -10.623 -7.454) 19.536 ======================= Grid point 750 (152/293) ======================= q-point: (-0.56 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -0.716 -7.428 7.296) 10.436 5.884 ( -21.840 32.232 -0.150) 38.935 8.182 ( -4.376 -5.802 6.384) 9.673 10.242 ( -4.064 9.654 -4.702) 11.481 11.837 ( 1.631 -2.832 0.911) 3.393 11.911 ( 9.990 -3.592 -9.565) 14.290 12.942 ( -17.975 14.241 -8.073) 24.312 13.288 ( 2.307 11.265 -14.556) 18.550 13.800 ( -6.482 -15.092 -0.301) 16.428 14.650 ( 4.365 9.140 -1.641) 10.261 15.110 ( -1.205 1.324 6.148) 6.404 16.460 ( -9.338 8.183 2.631) 12.692 17.136 ( 0.983 1.979 2.046) 3.012 17.266 ( -11.889 -8.206 11.805) 18.656 19.010 ( 19.382 -11.152 -3.996) 22.715 ======================= Grid point 751 (153/293) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( 0.553 -2.061 5.766) 6.148 5.743 ( -27.246 24.498 -1.013) 36.654 8.035 ( -8.370 -2.229 2.215) 8.940 10.201 ( -8.240 2.308 -0.697) 8.586 11.728 ( -4.316 -10.344 3.211) 11.659 11.991 ( 2.361 -5.469 -6.494) 8.812 12.723 ( -25.525 19.385 -10.481) 33.722 13.211 ( -11.329 -12.739 0.849) 17.069 13.812 ( 15.023 3.627 -19.213) 24.658 14.692 ( -8.796 4.312 0.057) 9.796 15.196 ( 9.042 3.311 9.122) 13.264 16.377 ( -7.972 6.098 1.634) 10.170 16.914 ( -15.428 -5.610 4.124) 16.926 17.304 ( 7.572 7.910 5.595) 12.297 19.223 ( 18.307 -11.835 -2.029) 21.894 ======================= Grid point 752 (154/293) ======================= q-point: (-0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( -0.418 2.950 4.595) 5.476 5.451 ( -29.685 15.544 -3.523) 33.693 7.840 ( -14.836 1.841 -2.840) 15.217 9.984 ( -16.486 -4.502 6.864) 18.416 11.480 ( -9.886 -15.715 0.071) 18.566 11.920 ( -3.919 -3.909 3.204) 6.395 12.478 ( -25.632 20.435 -17.363) 37.096 12.875 ( -8.566 -16.629 5.151) 19.402 14.154 ( 17.051 5.297 -23.911) 29.842 14.503 ( -11.754 -2.516 6.921) 13.871 15.417 ( 9.916 5.474 7.324) 13.488 16.300 ( -7.886 3.402 0.992) 8.646 16.633 ( -13.080 0.492 -5.132) 14.059 17.574 ( 12.824 10.997 9.796) 19.528 19.393 ( 15.466 -12.204 -1.579) 19.764 ======================= Grid point 753 (155/293) ======================= q-point: (-0.39 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -4.766 7.230 5.892) 10.474 5.057 ( -29.685 8.283 -7.609) 31.745 7.542 ( -24.182 4.092 -7.569) 25.668 9.545 ( -26.749 -9.320 14.760) 31.941 11.095 ( -14.848 -18.083 1.283) 23.433 11.815 ( -5.419 0.143 10.324) 11.660 12.271 ( -20.913 18.784 -24.711) 37.428 12.621 ( -2.405 -15.480 4.540) 16.310 14.304 ( -6.079 -4.796 10.813) 13.299 14.450 ( 12.121 2.279 -21.838) 25.080 15.606 ( 4.766 6.062 6.057) 9.806 16.139 ( -12.382 0.962 -3.303) 12.851 16.524 ( -3.605 5.478 -11.003) 12.809 17.940 ( 16.278 11.864 13.875) 24.458 19.511 ( 12.573 -12.203 -1.859) 17.620 ======================= Grid point 764 (156/293) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( 6.880 -6.002 6.439) 11.172 5.602 ( 14.123 26.300 -3.282) 30.032 7.935 ( 13.752 8.571 -3.058) 16.491 9.871 ( 4.511 22.337 5.070) 23.345 11.158 ( -6.975 18.687 -2.009) 20.047 11.875 ( 0.277 2.116 5.137) 5.563 12.602 ( -3.875 13.976 3.769) 14.985 12.849 ( 25.992 12.754 -20.153) 35.276 14.229 ( -5.964 -10.384 -19.601) 22.970 14.389 ( -1.550 10.919 9.969) 14.867 15.523 ( -1.070 -11.709 4.717) 12.669 16.349 ( 6.271 7.131 1.538) 9.619 16.715 ( 11.876 5.903 -6.027) 14.568 17.785 ( 1.448 -17.441 13.267) 21.961 19.150 ( -17.756 -7.511 -3.814) 19.653 ======================= Grid point 765 (157/293) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( 3.040 -10.219 8.423) 13.587 6.053 ( 5.152 31.785 -0.045) 32.200 8.157 ( 8.083 -1.782 2.673) 8.698 10.149 ( 3.839 19.114 -2.704) 19.683 11.253 ( -0.551 15.023 -5.829) 16.123 11.878 ( -0.333 -0.756 1.820) 1.998 12.733 ( 1.628 14.768 -0.782) 14.878 13.331 ( 14.603 10.797 -16.958) 24.847 14.053 ( -1.854 -9.229 -15.967) 18.536 14.487 ( -3.516 16.416 10.332) 19.713 15.359 ( -3.559 -11.877 4.260) 13.110 16.503 ( 4.107 7.374 2.473) 8.795 16.984 ( 11.078 5.052 0.757) 12.199 17.650 ( 0.918 -13.855 12.221) 18.497 18.786 ( -13.233 -10.887 -5.521) 18.004 ======================= Grid point 766 (158/293) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 0.504 -10.645 10.700) 15.102 6.389 ( -5.015 35.002 1.363) 35.385 8.190 ( 3.040 -9.088 6.429) 11.540 10.354 ( -0.525 15.574 -6.262) 16.794 11.447 ( 8.605 9.841 -9.414) 16.110 11.853 ( -0.108 -3.641 1.021) 3.783 12.926 ( 4.028 13.956 -6.892) 16.078 13.514 ( -1.169 5.286 -16.989) 17.830 13.991 ( 1.027 -6.814 -7.211) 9.974 14.570 ( -4.879 15.365 9.236) 18.579 15.215 ( -2.362 -5.204 3.664) 6.789 16.636 ( 1.068 9.711 3.171) 10.271 17.132 ( 1.822 1.918 3.530) 4.411 17.535 ( -1.421 -10.546 12.136) 16.141 18.544 ( 0.936 -13.524 -6.468) 15.020 ======================= Grid point 767 (159/293) ======================= q-point: ( 0.39 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 0.778 -7.502 11.619) 13.853 6.541 ( -16.849 32.226 1.800) 36.410 8.125 ( 1.818 -10.350 6.738) 12.483 10.432 ( -5.333 10.838 -6.619) 13.774 11.698 ( 11.743 2.746 -10.284) 15.849 11.797 ( -0.816 -6.142 0.999) 6.276 13.125 ( 2.785 12.124 -13.193) 18.133 13.499 ( -4.862 7.685 -15.609) 18.065 13.823 ( -10.582 -12.148 0.821) 16.132 14.683 ( 1.953 14.388 6.131) 15.761 15.160 ( -2.655 -0.495 4.020) 4.843 16.692 ( -6.781 9.073 3.549) 11.870 17.145 ( 0.206 2.390 2.803) 3.690 17.359 ( -8.088 -8.261 10.992) 15.953 18.570 ( 16.331 -13.619 -4.546) 21.745 ======================= Grid point 769 (160/293) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 2.726 -2.179 10.475) 11.041 6.433 ( -26.543 21.423 1.692) 34.152 8.073 ( 0.608 -4.316 4.445) 6.225 10.389 ( -9.109 5.332 -5.168) 11.752 11.683 ( -2.826 -10.163 -0.356) 10.555 11.870 ( 6.737 -1.814 -6.506) 9.540 13.157 ( -9.674 4.516 -14.589) 18.078 13.437 ( -21.132 -1.608 3.586) 21.494 13.634 ( 10.121 6.127 -17.704) 21.294 14.857 ( -1.848 10.134 1.298) 10.383 15.098 ( 1.567 -2.693 9.197) 9.710 16.595 ( -10.808 5.264 2.979) 12.385 17.102 ( -11.387 -3.146 5.968) 13.235 17.265 ( 5.276 6.121 5.539) 9.798 18.765 ( 20.317 -12.922 -2.781) 24.238 ======================= Grid point 770 (161/293) ======================= q-point: (-0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( 3.767 3.677 8.092) 9.653 6.086 ( -30.422 8.595 0.160) 31.613 8.039 ( -4.951 3.190 1.005) 5.975 10.215 ( -14.260 -0.966 -1.295) 14.351 11.480 ( -7.673 -13.593 -1.797) 15.712 11.906 ( 1.055 -2.974 -1.073) 3.333 12.917 ( -12.903 -10.963 -0.658) 16.944 13.103 ( -23.833 13.927 -10.502) 29.534 13.936 ( 14.809 7.364 -21.208) 26.895 14.686 ( -14.318 -6.034 6.210) 16.732 15.274 ( 12.205 4.840 7.115) 14.934 16.471 ( -8.592 3.326 2.240) 9.482 16.878 ( -13.244 2.248 0.712) 13.452 17.478 ( 10.134 9.321 8.979) 16.438 18.977 ( 18.611 -12.212 -2.835) 22.440 ======================= Grid point 784 (162/293) ======================= q-point: ( 0.28 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( -0.363 -6.804 11.833) 13.654 6.641 ( 13.529 26.932 2.418) 30.236 8.062 ( 0.326 -7.235 4.270) 8.408 10.442 ( 5.724 10.894 -6.322) 13.835 11.498 ( -2.740 9.746 -4.401) 11.039 11.843 ( -2.540 -3.132 -2.035) 4.517 13.058 ( -0.415 17.559 -3.026) 17.823 13.483 ( 8.001 4.316 -15.832) 18.256 13.836 ( 5.568 -11.087 -13.528) 18.356 14.844 ( -3.830 17.315 8.196) 19.536 15.140 ( 1.696 -10.127 6.464) 12.133 16.660 ( 6.415 8.682 3.076) 11.224 17.096 ( 6.093 6.460 4.236) 9.839 17.410 ( 2.877 -10.576 7.849) 13.481 18.550 ( -15.709 -12.629 -3.676) 20.488 ======================= Grid point 785 (163/293) ======================= q-point: ( 0.33 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( 0.107 -5.528 14.276) 15.310 7.037 ( -2.283 30.348 3.271) 30.609 7.945 ( 1.610 -15.871 5.686) 16.935 10.588 ( -0.447 8.254 -8.050) 11.538 11.589 ( 4.498 5.057 -6.229) 9.198 11.764 ( -1.768 -5.204 -1.873) 5.806 13.234 ( 0.705 16.667 -7.927) 18.469 13.544 ( 1.094 -1.082 -18.719) 18.783 13.796 ( -0.084 -11.997 -5.583) 13.232 14.891 ( -6.399 14.782 10.285) 19.111 15.149 ( 3.233 -2.410 5.200) 6.580 16.834 ( 1.580 9.777 3.567) 10.527 17.179 ( -0.920 3.091 4.415) 5.467 17.358 ( -0.047 -7.410 7.690) 10.679 18.271 ( 0.437 -13.037 -3.712) 13.562 ======================= Grid point 786 (164/293) ======================= q-point: (-0.61 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 2.869 -1.781 14.253) 14.648 7.053 ( -23.919 16.548 3.458) 29.290 7.919 ( 10.452 -8.002 5.251) 14.172 10.586 ( -6.941 4.469 -7.862) 11.400 11.643 ( -2.244 -5.680 -3.669) 7.125 11.751 ( 6.037 0.375 -4.215) 7.373 13.333 ( -8.002 4.687 -11.549) 14.812 13.519 ( -0.186 -3.895 -13.314) 13.874 13.689 ( 0.001 2.134 -6.615) 6.951 14.973 ( 0.248 12.547 8.266) 15.028 15.101 ( -5.297 -6.132 6.473) 10.371 16.828 ( -10.089 3.996 3.498) 11.401 17.231 ( -2.509 3.366 5.172) 6.662 17.242 ( -0.195 -0.689 6.024) 6.067 18.321 ( 16.376 -9.959 -2.856) 19.378 ======================= Grid point 803 (165/293) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -0.000 -0.000 15.710) 15.710 7.564 ( -10.173 -20.346 4.657) 23.220 7.564 ( 10.173 20.346 4.657) 23.220 10.672 ( -0.000 -0.000 -8.786) 8.786 11.669 ( -1.619 -3.238 -3.926) 5.340 11.669 ( 1.619 3.238 -3.926) 5.340 13.514 ( -0.649 -1.297 -16.720) 16.783 13.514 ( 0.649 1.297 -16.720) 16.783 13.580 ( -0.000 0.000 1.467) 1.467 15.086 ( -2.047 -4.094 8.054) 9.263 15.086 ( 2.047 4.094 8.054) 9.263 16.953 ( -0.000 -0.000 3.913) 3.913 17.251 ( -1.316 -2.632 4.960) 5.767 17.251 ( 1.316 2.632 4.960) 5.767 18.114 ( 0.000 -0.000 -2.399) 2.399 ======================= Grid point 1029 (166/293) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.000 0.000 20.194) 20.194 2.375 ( 0.000 -0.000 20.194) 20.194 3.677 ( -0.000 0.000 40.160) 40.160 7.464 ( 0.000 0.000 35.630) 35.630 7.464 ( 0.000 0.000 35.630) 35.630 10.494 ( 0.000 0.000 -42.768) 42.768 10.494 ( 0.000 -0.000 -42.768) 42.768 13.670 ( -0.000 0.000 -20.752) 20.752 14.930 ( 0.000 0.000 21.804) 21.804 14.930 ( 0.000 0.000 21.804) 21.804 15.941 ( 0.000 -0.000 -10.775) 10.775 15.941 ( 0.000 -0.000 -10.775) 10.775 16.396 ( -0.000 0.000 7.150) 7.150 18.630 ( -0.000 0.000 -3.846) 3.846 20.482 ( 0.000 0.000 4.266) 4.266 ======================= Grid point 1030 (167/293) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 12.165 7.024 14.295) 20.042 2.632 ( 25.174 14.534 21.325) 36.052 3.731 ( 6.612 3.817 32.559) 33.442 7.407 ( 0.274 0.158 36.659) 36.660 8.288 ( 55.721 32.170 23.568) 68.522 10.529 ( 2.865 1.654 -41.010) 41.143 10.710 ( 19.348 11.171 -45.277) 50.489 13.582 ( -7.818 -4.514 -17.441) 19.639 14.382 ( -36.502 -21.074 21.187) 47.174 15.039 ( 2.914 1.682 21.614) 21.874 15.772 ( -11.103 -6.410 -6.537) 14.391 15.833 ( -4.585 -2.647 -11.729) 12.868 16.531 ( 6.193 3.575 1.143) 7.242 18.895 ( 17.795 10.274 -0.625) 20.557 20.408 ( -6.314 -3.646 4.202) 8.415 ======================= Grid point 1031 (168/293) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 14.972 8.644 6.405) 18.437 3.270 ( 25.405 14.668 22.347) 36.877 4.098 ( 28.429 16.413 11.220) 34.692 7.480 ( 6.278 3.625 37.231) 37.930 9.465 ( 41.358 23.878 16.349) 50.477 10.635 ( 6.698 3.867 -39.125) 39.882 11.372 ( 37.255 21.509 -42.233) 60.284 13.250 ( -24.096 -13.912 6.045) 28.473 13.647 ( -19.729 -11.391 -1.732) 22.847 15.034 ( -3.759 -2.170 19.194) 19.678 15.555 ( -8.075 -4.662 -5.053) 10.606 15.762 ( -1.062 -0.613 -10.182) 10.255 16.619 ( 1.894 1.094 -4.185) 4.722 19.226 ( 9.430 5.444 5.478) 12.189 20.211 ( -10.702 -6.179 3.622) 12.878 ======================= Grid point 1032 (169/293) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 14.874 8.588 -0.275) 17.178 3.732 ( 17.192 9.926 12.723) 23.579 4.969 ( 44.180 25.507 -2.022) 51.055 7.693 ( 12.268 7.083 36.173) 38.848 10.142 ( 20.585 11.885 12.933) 27.061 10.843 ( 11.786 6.805 -36.962) 39.387 12.143 ( 21.498 12.412 -17.013) 30.094 12.694 ( -19.145 -11.053 12.636) 25.463 13.512 ( 8.206 4.738 -18.301) 20.609 14.872 ( -9.926 -5.731 15.075) 18.937 15.409 ( -4.208 -2.430 -7.275) 8.749 15.786 ( 2.746 1.586 -6.298) 7.051 16.629 ( -0.901 -0.520 -7.385) 7.458 19.317 ( -0.980 -0.566 8.230) 8.308 19.929 ( -13.796 -7.965 3.741) 16.363 ======================= Grid point 1033 (170/293) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 13.191 7.616 -4.192) 15.798 4.087 ( 13.787 7.960 -0.331) 15.923 5.987 ( 44.069 25.443 -7.447) 51.429 8.025 ( 16.569 9.566 32.417) 37.642 10.480 ( 10.021 5.786 12.275) 16.869 11.175 ( 17.440 10.069 -34.073) 39.579 12.218 ( -5.607 -3.237 14.244) 15.646 12.433 ( -8.070 -4.659 -1.560) 9.448 13.960 ( 22.955 13.253 -18.896) 32.552 14.613 ( -12.335 -7.122 13.561) 19.666 15.425 ( 7.947 4.588 -11.470) 14.689 15.865 ( 3.782 2.183 -4.143) 6.020 16.584 ( -2.983 -1.722 -8.695) 9.352 19.180 ( -11.587 -6.690 2.526) 13.616 19.626 ( -11.552 -6.669 8.991) 16.086 ======================= Grid point 1034 (171/293) ======================= q-point: ( 0.28 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.842 ( 11.122 6.421 -5.578) 14.001 4.336 ( 7.642 4.412 -8.444) 12.214 6.937 ( 39.096 22.572 -10.093) 46.258 8.423 ( 17.905 10.338 25.950) 33.180 10.626 ( 3.420 1.974 13.286) 13.860 11.627 ( 21.995 12.699 -30.013) 39.317 12.150 ( 0.203 0.117 13.718) 13.720 12.252 ( -6.943 -4.009 -0.371) 8.026 14.284 ( 5.326 3.075 -12.844) 14.240 14.330 ( -12.281 -7.091 14.359) 20.182 15.825 ( 24.524 14.159 -9.305) 29.807 15.946 ( 3.215 1.856 -3.504) 5.104 16.502 ( -3.498 -2.020 -10.203) 10.974 18.815 ( -18.669 -10.779 -6.100) 22.404 19.418 ( -7.600 -4.388 14.973) 17.355 ======================= Grid point 1035 (172/293) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( 9.030 5.214 -5.553) 11.814 4.423 ( 0.048 0.028 -10.798) 10.798 7.743 ( 31.241 18.037 -9.539) 37.314 8.819 ( 16.687 9.634 17.963) 26.343 10.670 ( 1.443 0.833 13.096) 13.202 12.146 ( 22.757 13.139 -24.425) 35.876 12.147 ( -2.017 -1.164 1.381) 2.707 12.210 ( 4.491 2.593 5.511) 7.567 14.067 ( -10.545 -6.088 15.482) 19.697 14.308 ( -1.065 -0.615 -11.264) 11.331 16.006 ( 1.949 1.125 -3.257) 3.959 16.158 ( -3.154 -1.821 0.703) 3.710 16.639 ( 20.179 11.651 -11.156) 25.834 18.417 ( -14.491 -8.367 -11.177) 20.122 19.244 ( -8.158 -4.710 15.796) 18.392 ======================= Grid point 1036 (173/293) ======================= q-point: ( 0.39 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.250 ( 6.627 3.826 -5.096) 9.193 4.351 ( -5.889 -3.400 -8.898) 11.199 8.321 ( 18.655 10.771 -3.881) 21.888 9.172 ( 14.285 8.247 9.920) 19.248 10.748 ( 6.754 3.899 6.755) 10.317 12.151 ( 1.844 1.064 2.107) 2.995 12.333 ( 6.036 3.485 -4.436) 8.261 12.601 ( 15.406 8.895 -14.931) 23.225 13.876 ( -5.182 -2.992 12.863) 14.187 14.289 ( -0.072 -0.042 -9.636) 9.637 15.930 ( -13.802 -7.969 0.407) 15.943 16.033 ( 0.515 0.298 -2.828) 2.890 17.042 ( 10.267 5.928 -0.905) 11.890 18.241 ( -0.109 -0.063 -10.636) 10.637 19.050 ( -8.119 -4.688 11.777) 15.053 ======================= Grid point 1037 (174/293) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -8.278 -4.779 -4.981) 10.778 4.367 ( 3.558 2.054 -4.690) 6.235 8.564 ( 2.925 1.689 5.314) 6.296 9.468 ( 11.779 6.800 2.664) 13.859 11.010 ( 16.097 9.294 -5.639) 19.424 12.204 ( 2.276 1.314 3.349) 4.257 12.476 ( 6.454 3.726 -14.589) 16.382 12.753 ( -2.996 -1.730 2.651) 4.359 13.887 ( 6.239 3.602 1.313) 7.323 14.309 ( 1.403 0.810 -7.723) 7.891 15.591 ( -14.689 -8.481 3.378) 17.294 16.032 ( -0.574 -0.331 -2.138) 2.239 17.110 ( -1.411 -0.815 -0.300) 1.657 18.257 ( -4.961 -2.864 9.756) 11.313 18.980 ( 5.209 3.008 -4.543) 7.538 ======================= Grid point 1038 (175/293) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( -7.280 -4.203 -0.944) 8.459 4.406 ( -0.248 -0.143 -4.433) 4.442 8.490 ( -8.493 -4.904 10.234) 14.174 9.710 ( 9.546 5.511 -3.516) 11.570 11.425 ( 18.665 10.776 -14.956) 26.233 12.232 ( -0.202 -0.117 2.307) 2.319 12.511 ( -16.716 -9.651 14.173) 23.947 12.630 ( 7.353 4.245 -21.470) 23.088 14.086 ( 9.303 5.371 -5.175) 11.924 14.305 ( -3.070 -1.773 -5.802) 6.799 15.341 ( -5.472 -3.160 8.081) 10.258 16.014 ( -0.843 -0.487 -1.564) 1.843 17.080 ( 0.029 0.017 -1.073) 1.074 17.950 ( -19.847 -11.459 19.840) 30.313 19.244 ( 14.612 8.436 -10.376) 19.808 ======================= Grid point 1040 (176/293) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( -4.633 -2.675 1.916) 5.683 4.352 ( -4.550 -2.627 -4.200) 6.726 8.214 ( -15.249 -8.804 9.331) 19.928 9.902 ( 7.280 4.203 -8.090) 11.667 11.783 ( 11.635 6.718 -15.715) 20.675 12.041 ( -24.035 -13.876 16.560) 32.318 12.174 ( -5.357 -3.093 -2.259) 6.585 12.828 ( 10.250 5.918 -24.470) 27.182 14.167 ( -7.355 -4.246 -1.768) 8.675 14.256 ( 5.257 3.035 -3.648) 7.082 15.364 ( 6.118 3.533 10.477) 12.637 16.000 ( -0.258 -0.149 -1.657) 1.683 17.129 ( 2.618 1.511 -0.346) 3.043 17.438 ( -22.271 -12.858 18.564) 31.717 19.559 ( 12.391 7.154 -8.222) 16.503 ======================= Grid point 1041 (177/293) ======================= q-point: (-0.39 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -2.584 -1.492 3.200) 4.375 4.198 ( -8.934 -5.158 -3.739) 10.973 7.809 ( -20.297 -11.718 5.253) 24.018 10.031 ( 3.594 2.075 -8.373) 9.345 11.447 ( -27.387 -15.812 12.059) 33.845 11.930 ( -2.150 -1.241 -17.031) 17.210 11.994 ( -6.286 -3.629 2.588) 7.706 13.059 ( 8.468 4.889 -23.340) 25.305 14.062 ( -0.518 -0.299 -1.210) 1.350 14.326 ( 1.178 0.680 1.104) 1.752 15.543 ( 8.300 4.792 11.586) 15.037 16.003 ( 0.524 0.303 -2.489) 2.561 16.751 ( -27.475 -15.863 7.850) 32.682 17.426 ( 13.487 7.786 5.992) 16.686 19.795 ( 8.376 4.836 -6.011) 11.388 ======================= Grid point 1042 (178/293) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( -2.365 -1.365 3.920) 4.777 3.949 ( -12.952 -7.478 -2.681) 15.194 7.291 ( -25.337 -14.629 0.072) 29.257 10.011 ( -7.780 -4.492 7.174) 11.497 10.868 ( -20.659 -11.928 -8.780) 25.420 11.625 ( -17.636 -10.182 -8.218) 21.960 12.000 ( 0.844 0.487 5.211) 5.301 13.174 ( 2.118 1.223 -15.954) 16.140 14.148 ( 6.554 3.784 -7.999) 11.012 14.330 ( -0.310 -0.179 6.739) 6.748 15.663 ( -1.967 -1.136 13.479) 13.669 16.021 ( 0.924 0.534 -3.593) 3.748 16.180 ( -17.577 -10.148 -3.649) 20.621 17.814 ( 19.696 11.372 7.742) 24.025 19.945 ( 4.946 2.855 -4.209) 7.094 ======================= Grid point 1043 (179/293) ======================= q-point: (-0.28 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( -16.109 -9.300 -0.508) 18.608 3.669 ( -3.302 -1.906 6.338) 7.396 6.652 ( -31.047 -17.925 -4.800) 36.170 9.606 ( -25.708 -14.843 30.846) 42.810 10.603 ( -4.289 -2.476 -37.037) 37.367 11.163 ( -22.996 -13.277 1.626) 26.604 12.041 ( 3.665 2.116 9.265) 10.186 13.203 ( 1.388 0.801 -10.663) 10.783 14.232 ( -3.204 -1.850 -13.060) 13.574 14.331 ( 0.752 0.434 11.957) 11.989 15.348 ( -16.487 -9.519 -1.360) 19.086 16.043 ( 0.956 0.552 -4.678) 4.807 16.128 ( 6.724 3.882 -2.157) 8.059 18.282 ( 20.717 11.961 10.170) 25.994 20.031 ( 2.927 1.690 -2.551) 4.235 ======================= Grid point 1044 (180/293) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -17.656 -10.194 3.371) 20.664 3.586 ( -3.888 -2.245 12.705) 13.475 5.878 ( -36.962 -21.340 -8.102) 43.442 8.980 ( -27.502 -15.878 34.294) 46.739 10.562 ( -0.669 -0.386 -43.631) 43.638 10.586 ( -27.493 -15.873 11.926) 33.913 12.191 ( 9.391 5.422 7.543) 13.209 13.239 ( 0.080 0.046 -7.817) 7.818 13.881 ( -24.097 -13.912 -20.257) 34.418 14.374 ( 3.104 1.792 16.125) 16.519 15.197 ( 2.461 1.421 -8.055) 8.541 16.062 ( 0.733 0.423 -5.785) 5.846 16.307 ( 7.864 4.540 -2.548) 9.431 18.721 ( 17.141 9.897 12.066) 23.181 20.091 ( 2.672 1.543 -0.800) 3.187 ======================= Grid point 1045 (181/293) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -16.448 -9.496 9.221) 21.112 3.496 ( -4.167 -2.406 23.465) 23.953 4.987 ( -40.691 -23.493 -8.498) 47.748 8.402 ( -22.865 -13.201 34.388) 43.354 9.921 ( -31.283 -18.061 17.505) 40.140 10.547 ( -0.779 -0.450 -45.214) 45.223 12.318 ( -10.593 -6.116 -14.944) 19.312 13.017 ( -8.975 -5.182 -3.975) 11.099 13.623 ( 5.380 3.106 -13.829) 15.160 14.472 ( 5.417 3.128 19.034) 20.035 15.332 ( 7.627 4.403 -7.113) 11.321 16.073 ( 0.148 0.085 -6.983) 6.985 16.458 ( 5.061 2.922 -3.316) 6.719 19.028 ( 9.081 5.243 11.907) 15.866 20.165 ( 4.025 2.324 1.079) 4.772 ======================= Grid point 1046 (182/293) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -11.428 -6.598 16.055) 20.782 3.351 ( -11.573 -6.682 32.092) 34.764 4.110 ( -32.484 -18.755 -0.732) 37.516 7.952 ( -16.645 -9.610 34.432) 39.433 9.122 ( -40.604 -23.443 18.878) 50.544 10.525 ( -1.112 -0.642 -45.214) 45.233 11.553 ( -42.318 -24.432 -40.573) 63.513 13.263 ( 18.363 10.602 -2.259) 21.324 13.936 ( 22.227 12.833 1.826) 25.731 14.614 ( 6.871 3.967 20.751) 22.216 15.507 ( 7.546 4.357 -6.582) 10.920 16.065 ( -0.999 -0.577 -8.240) 8.320 16.526 ( 0.781 0.451 -1.525) 1.771 19.098 ( -3.607 -2.083 7.511) 8.589 20.279 ( 5.928 3.423 2.992) 7.471 ======================= Grid point 1047 (183/293) ======================= q-point: (-0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -3.051 -1.761 20.831) 21.127 2.833 ( -29.015 -16.752 18.474) 38.260 3.715 ( -5.099 -2.944 30.732) 31.291 7.643 ( -10.645 -6.146 34.820) 36.926 8.070 ( -47.329 -27.325 24.849) 60.035 10.501 ( -0.847 -0.489 -44.267) 44.278 10.760 ( -23.926 -13.814 -42.561) 50.742 13.576 ( 8.542 4.932 -17.233) 19.856 14.599 ( 30.407 17.556 19.308) 40.070 14.776 ( 7.175 4.142 21.541) 23.079 15.689 ( 9.677 5.587 -8.953) 14.319 16.023 ( -2.715 -1.568 -9.501) 10.005 16.493 ( -3.767 -2.175 2.757) 5.150 18.868 ( -14.867 -8.584 -0.058) 17.167 20.415 ( 5.293 3.056 4.148) 7.386 ======================= Grid point 1049 (184/293) ======================= q-point: ( 0.06 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 20.515 5.718 14.130) 25.559 3.217 ( 8.208 25.677 24.988) 36.757 3.937 ( 13.347 22.058 11.876) 28.386 7.644 ( -9.071 19.761 35.839) 41.919 9.035 ( 38.553 38.389 18.362) 57.422 10.558 ( 5.057 1.791 -42.798) 43.133 11.232 ( 15.772 40.212 -42.999) 60.948 13.374 ( -9.624 -17.601 -5.508) 20.802 13.908 ( -26.863 -22.753 9.346) 36.424 14.875 ( 11.420 -12.569 18.296) 24.963 15.586 ( -1.315 -7.654 -5.740) 9.657 15.911 ( -12.113 3.950 -8.389) 15.255 16.574 ( 4.033 0.482 -2.232) 4.635 19.112 ( 9.385 7.923 4.752) 13.169 20.295 ( -6.200 -6.988 3.605) 10.013 ======================= Grid point 1050 (185/293) ======================= q-point: ( 0.11 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 20.189 8.770 4.196) 22.408 3.569 ( 12.930 11.082 20.643) 26.761 4.624 ( 30.507 36.055 -1.781) 47.263 7.768 ( -1.734 23.803 36.153) 43.320 9.875 ( 26.570 18.370 15.068) 35.643 10.715 ( 9.973 4.342 -39.876) 41.333 11.983 ( 21.701 35.078 -30.915) 51.548 12.880 ( -20.266 -20.645 15.278) 32.716 13.511 ( -5.117 -1.953 -13.621) 14.681 14.865 ( 1.226 -11.491 13.248) 17.580 15.483 ( -4.427 -3.760 -2.521) 6.332 15.793 ( -4.025 2.595 -8.030) 9.349 16.612 ( 1.386 -1.967 -6.225) 6.674 19.261 ( 4.691 -2.767 8.803) 10.351 20.074 ( -11.383 -7.172 2.831) 13.748 ======================= Grid point 1051 (186/293) ======================= q-point: ( 0.17 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 14.798 12.175 -0.823) 19.181 3.903 ( 15.590 6.948 5.604) 17.965 5.568 ( 37.521 33.836 -6.407) 50.929 8.039 ( 3.802 26.758 33.741) 43.231 10.349 ( 14.038 9.983 12.871) 21.503 10.992 ( 15.394 8.403 -36.454) 40.453 12.346 ( -8.251 5.860 5.916) 11.723 12.470 ( -5.153 -10.455 2.256) 11.873 13.729 ( 19.613 16.461 -20.894) 33.048 14.706 ( -6.951 -9.532 10.193) 15.591 15.402 ( -0.900 1.179 -6.225) 6.399 15.815 ( 3.091 1.314 -5.102) 6.109 16.590 ( -0.715 -3.489 -8.040) 8.793 19.222 ( -2.436 -9.026 8.037) 12.329 19.778 ( -14.138 -7.041 4.004) 16.294 ======================= Grid point 1052 (187/293) ======================= q-point: ( 0.22 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 10.214 13.837 -2.470) 17.375 4.208 ( 12.195 5.153 -6.019) 14.543 6.519 ( 37.572 27.765 -9.106) 47.597 8.402 ( 6.857 27.235 28.247) 39.833 10.583 ( 5.484 5.076 12.433) 14.506 11.403 ( 20.003 13.240 -32.128) 40.095 12.196 ( -5.127 0.068 17.249) 17.995 12.314 ( -6.632 -5.839 -2.965) 9.320 14.184 ( 12.293 8.303 -13.988) 20.389 14.466 ( -10.904 -7.281 10.654) 16.894 15.585 ( 17.101 11.335 -10.378) 22.992 15.891 ( 4.188 0.510 -3.608) 5.551 16.526 ( -2.262 -3.882 -8.755) 9.841 18.987 ( -12.839 -12.137 0.220) 17.669 19.501 ( -9.790 -6.460 10.024) 15.429 ======================= Grid point 1053 (188/293) ======================= q-point: ( 0.28 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 6.757 14.000 -3.299) 15.892 4.394 ( 4.078 3.840 -10.586) 11.976 7.374 ( 33.757 21.411 -9.869) 41.174 8.785 ( 7.463 24.843 20.744) 33.214 10.666 ( 0.988 2.470 12.808) 13.082 11.906 ( 20.944 14.730 -25.295) 35.992 12.166 ( -0.765 -2.158 5.485) 5.944 12.200 ( -0.643 3.523 3.644) 5.109 14.209 ( -11.609 -5.113 11.683) 17.245 14.303 ( 0.675 -0.651 -9.876) 9.921 15.939 ( 3.339 -2.868 -2.475) 5.050 16.094 ( 17.804 11.434 -3.125) 21.388 16.488 ( 4.701 2.324 -12.097) 13.185 18.601 ( -16.940 -10.727 -6.974) 21.229 19.301 ( -6.508 -7.709 14.006) 17.261 ======================= Grid point 1054 (189/293) ======================= q-point: ( 0.33 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 3.740 6.258 -4.787) 8.722 4.440 ( -4.768 10.305 -8.640) 14.268 8.064 ( 25.410 14.323 -7.111) 30.023 9.132 ( 6.849 20.523 12.954) 25.217 10.712 ( 2.306 3.903 10.082) 11.054 12.098 ( 2.757 -2.891 1.340) 4.213 12.286 ( 3.971 4.954 0.785) 6.398 12.452 ( 17.145 16.826 -19.792) 31.126 13.985 ( -9.659 -2.211 12.619) 16.045 14.284 ( -0.314 -1.370 -9.024) 9.133 15.889 ( -1.906 -11.561 -1.898) 11.869 16.192 ( -5.837 5.345 -0.765) 7.952 16.866 ( 19.484 10.314 -4.887) 22.581 18.281 ( -8.450 -5.859 -10.730) 14.861 19.107 ( -6.587 -9.079 13.455) 17.517 ======================= Grid point 1055 (190/293) ======================= q-point: ( 0.39 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( -4.245 -6.836 -5.652) 9.834 4.524 ( -6.229 22.765 -4.253) 23.982 8.480 ( 11.178 5.338 0.748) 12.410 9.423 ( 6.299 16.015 5.686) 18.124 10.874 ( 10.269 8.973 0.423) 13.643 12.139 ( 4.421 -2.105 2.463) 5.481 12.413 ( 5.260 4.476 -8.861) 11.235 12.791 ( 4.011 9.895 -7.719) 13.175 13.880 ( -1.495 3.192 6.840) 7.694 14.289 ( 1.513 0.413 -7.598) 7.758 15.654 ( -8.379 -15.489 0.342) 17.614 16.156 ( -6.449 8.421 -1.042) 10.658 17.114 ( 2.351 1.928 0.486) 3.079 18.232 ( 3.521 -2.223 -1.935) 4.592 18.932 ( -1.722 -6.784 4.530) 8.337 ======================= Grid point 1056 (191/293) ======================= q-point: ( 0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( -6.719 -6.519 -1.708) 9.516 4.615 ( -9.809 22.379 -3.923) 24.747 8.555 ( -2.965 -2.496 8.377) 9.230 9.665 ( 5.747 12.459 -0.674) 13.738 11.226 ( 17.294 12.100 -10.989) 23.796 12.185 ( 3.401 -3.237 2.958) 5.549 12.550 ( 5.928 3.680 -16.889) 18.274 12.747 ( -14.017 1.677 7.191) 15.843 13.995 ( 6.952 5.973 -2.608) 9.529 14.325 ( 0.636 1.207 -6.531) 6.672 15.370 ( -6.793 -11.383 4.327) 13.944 16.128 ( -6.666 8.422 -0.449) 10.750 17.097 ( -2.002 -0.237 -0.588) 2.100 18.113 ( -11.830 -11.272 17.127) 23.671 19.032 ( 15.136 1.517 -9.611) 17.994 ======================= Grid point 1057 (192/293) ======================= q-point: (-0.50 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( -5.318 -5.079 1.884) 7.591 4.621 ( -14.543 20.681 -4.007) 25.598 8.373 ( -11.939 -6.671 10.017) 16.952 9.863 ( 4.812 9.392 -5.451) 11.878 11.627 ( 15.306 9.138 -16.295) 24.151 12.171 ( -0.488 -6.053 1.218) 6.194 12.388 ( -24.137 -2.434 12.943) 27.496 12.726 ( 7.884 5.765 -22.267) 24.315 14.101 ( 1.900 -6.506 -2.596) 7.258 14.332 ( -1.780 6.565 -5.339) 8.647 15.277 ( 4.136 -2.006 7.783) 9.039 16.096 ( -6.112 7.634 -0.035) 9.780 17.102 ( 2.049 2.318 -0.601) 3.152 17.683 ( -21.175 -14.910 19.299) 32.298 19.346 ( 17.397 1.672 -9.231) 19.766 ======================= Grid point 1058 (193/293) ======================= q-point: (-0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( -2.956 -3.841 4.012) 6.292 4.524 ( -19.192 18.071 -4.114) 26.680 8.039 ( -18.036 -8.660 7.148) 21.246 10.009 ( 3.125 5.930 -7.553) 10.099 11.854 ( -24.752 -4.078 7.287) 26.123 11.884 ( 1.356 2.424 -8.483) 8.926 12.061 ( -7.200 -7.783 -2.644) 10.927 12.947 ( 9.890 5.830 -23.721) 26.353 13.994 ( 0.428 -10.673 0.199) 10.684 14.386 ( -2.011 7.526 -1.983) 8.038 15.418 ( 9.860 2.450 8.801) 13.441 16.075 ( -4.538 6.640 -0.335) 8.049 17.039 ( -21.135 -12.645 7.806) 25.836 17.328 ( 4.216 4.460 8.642) 10.600 19.622 ( 14.143 -0.763 -6.940) 15.772 ======================= Grid point 1059 (194/293) ======================= q-point: (-0.39 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( -1.907 -3.390 5.058) 6.380 4.324 ( -23.047 14.737 -4.147) 27.668 7.593 ( -23.654 -9.800 2.263) 25.704 10.062 ( -1.884 0.078 -1.795) 2.604 11.275 ( -32.591 -1.128 2.964) 32.745 11.770 ( -12.401 -12.121 -11.568) 20.845 11.984 ( 1.681 0.289 1.933) 2.578 13.105 ( 4.719 -1.099 -17.060) 17.735 14.003 ( 9.272 -3.600 -4.936) 11.103 14.396 ( -3.643 4.726 2.827) 6.603 15.606 ( 8.169 2.210 9.760) 12.918 16.069 ( -3.546 5.083 -0.854) 6.256 16.454 ( -26.205 -13.269 2.639) 29.491 17.625 ( 16.152 12.240 6.956) 21.427 19.812 ( 10.454 -3.060 -5.044) 12.004 ======================= Grid point 1060 (195/293) ======================= q-point: (-0.33 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -3.676 -3.174 6.724) 8.294 4.038 ( -24.715 10.952 -3.815) 27.301 7.036 ( -29.984 -10.794 -2.913) 32.000 9.865 ( -17.535 -9.876 20.207) 28.519 10.827 ( -20.512 6.592 -23.639) 31.984 11.378 ( -17.949 -14.336 -4.012) 23.319 12.011 ( 1.744 0.823 7.479) 7.724 13.115 ( 3.265 -7.728 -8.788) 12.150 14.175 ( 9.385 0.869 -11.125) 14.581 14.366 ( -3.745 1.947 6.309) 7.591 15.600 ( -15.696 -3.124 7.819) 17.812 15.960 ( -1.467 -5.637 -4.769) 7.528 16.167 ( -1.728 6.033 -4.017) 7.451 18.067 ( 19.503 14.106 9.171) 25.758 19.927 ( 7.694 -4.509 -3.421) 9.551 ======================= Grid point 1061 (196/293) ======================= q-point: (-0.28 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -14.280 -0.941 7.585) 16.197 3.749 ( -16.696 6.394 1.098) 17.912 6.353 ( -37.171 -11.924 -7.011) 39.661 9.322 ( -28.914 -14.021 32.411) 45.641 10.675 ( -8.984 8.676 -39.729) 41.645 10.881 ( -23.463 -14.316 6.690) 28.288 12.096 ( 6.577 3.355 9.389) 11.944 13.101 ( 6.248 -11.404 -5.090) 13.964 14.140 ( -15.765 -6.446 -14.308) 22.243 14.371 ( 3.031 4.121 7.190) 8.824 15.282 ( -11.352 2.144 -4.258) 12.313 15.977 ( 4.628 -4.969 -3.648) 7.708 16.273 ( 4.346 7.944 -3.697) 9.781 18.532 ( 18.336 13.149 11.224) 25.201 19.998 ( 6.450 -4.826 -1.761) 8.246 ======================= Grid point 1062 (197/293) ======================= q-point: (-0.22 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -23.083 2.391 6.008) 23.972 3.603 ( -8.134 3.623 14.098) 16.675 5.539 ( -43.819 -12.510 -8.745) 46.401 8.685 ( -27.526 -15.293 34.254) 46.529 10.311 ( -28.570 -10.037 13.992) 33.358 10.633 ( -5.975 6.808 -42.766) 43.714 12.300 ( 9.956 5.414 3.625) 11.899 13.037 ( -1.462 -18.540 -3.369) 18.901 13.685 ( -19.650 -5.602 -21.315) 29.527 14.485 ( 3.024 8.625 11.712) 14.857 15.284 ( 3.303 6.231 -5.552) 8.976 15.988 ( 3.659 -6.859 -5.038) 9.264 16.430 ( 4.726 6.625 -4.776) 9.436 18.920 ( 12.808 10.158 12.186) 20.390 20.065 ( 6.859 -3.971 0.072) 7.925 ======================= Grid point 1063 (198/293) ======================= q-point: (-0.17 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -21.119 6.778 9.509) 24.132 3.496 ( -9.078 2.096 26.059) 27.674 4.647 ( -45.678 -10.129 -6.328) 47.214 8.108 ( -20.749 -17.664 34.964) 44.328 9.714 ( -35.909 -0.541 17.190) 39.815 10.597 ( -5.099 4.895 -43.809) 44.375 12.104 ( -38.811 -11.757 -31.619) 51.422 12.964 ( 20.539 -1.788 9.158) 22.559 13.606 ( 11.857 -4.701 -10.142) 16.296 14.650 ( 3.999 12.848 15.158) 20.269 15.433 ( 6.360 5.137 -4.751) 9.456 15.968 ( 3.370 -9.594 -6.588) 12.116 16.543 ( 1.662 4.652 -4.684) 6.808 19.139 ( 2.593 6.202 10.355) 12.346 20.162 ( 8.347 -2.459 1.985) 8.926 ======================= Grid point 1068 (199/293) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 18.907 15.353 4.234) 24.721 3.720 ( 12.733 5.973 11.421) 18.118 5.411 ( 24.285 41.524 -7.842) 48.739 8.346 ( -2.128 33.321 33.955) 47.621 10.239 ( 13.985 19.451 14.436) 27.970 10.803 ( 13.962 4.659 -40.216) 42.825 12.398 ( 0.864 -7.244 -3.109) 7.930 12.646 ( -16.668 8.294 6.223) 19.630 13.637 ( 10.269 16.270 -20.792) 28.328 14.649 ( 1.799 -10.020 7.021) 12.366 15.396 ( 1.785 -4.226 -1.987) 4.999 15.845 ( -5.347 2.358 -5.445) 7.987 16.538 ( 1.604 -5.462 -6.869) 8.922 19.108 ( 2.466 -12.545 11.073) 16.913 19.946 ( -12.144 -5.575 1.221) 13.418 ======================= Grid point 1069 (200/293) ======================= q-point: ( 0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 14.173 11.634 5.876) 19.255 4.049 ( 15.438 10.970 -5.510) 19.724 6.248 ( 29.183 34.166 -8.834) 45.793 8.671 ( -0.084 35.351 29.373) 45.961 10.560 ( 5.868 11.689 11.792) 17.610 11.177 ( 20.905 10.617 -34.765) 41.933 12.234 ( -3.405 -9.542 11.693) 15.471 12.463 ( -13.476 3.965 1.706) 14.150 14.067 ( 13.732 15.159 -15.412) 25.610 14.525 ( -4.835 -8.688 3.308) 10.478 15.467 ( 8.336 6.339 -4.996) 11.603 15.838 ( 1.698 0.819 -3.792) 4.235 16.497 ( 0.195 -5.511 -7.454) 9.272 18.972 ( -2.131 -16.029 8.660) 18.343 19.656 ( -14.709 -5.466 2.119) 15.834 ======================= Grid point 1070 (201/293) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( 11.575 4.041 2.943) 12.609 4.415 ( 8.399 19.919 -10.385) 23.983 7.054 ( 30.118 26.012 -9.394) 40.890 9.016 ( 0.531 32.844 22.136) 39.611 10.694 ( 0.337 6.653 10.373) 12.328 11.694 ( 22.773 16.090 -27.400) 39.093 12.136 ( -0.173 -5.220 6.573) 8.396 12.313 ( -7.749 5.461 5.835) 11.132 14.259 ( 0.394 -2.750 -13.625) 13.905 14.353 ( -6.458 -1.612 9.557) 11.646 15.822 ( 13.616 6.335 -2.301) 15.192 15.902 ( 10.363 5.806 -6.383) 13.485 16.456 ( 0.720 -2.317 -8.093) 8.449 18.716 ( -9.452 -15.379 2.558) 18.232 19.367 ( -11.507 -7.013 5.966) 14.737 ======================= Grid point 1071 (202/293) ======================= q-point: ( 0.28 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 7.770 -3.291 -2.101) 8.696 4.713 ( -1.100 28.342 -6.749) 29.156 7.766 ( 27.190 17.838 -8.366) 33.578 9.320 ( 0.137 27.552 14.533) 31.151 10.743 ( -0.563 6.013 9.346) 11.127 12.022 ( 2.458 -2.734 0.832) 3.770 12.296 ( 8.882 10.694 -11.178) 17.838 12.339 ( 9.711 14.702 -4.746) 18.248 14.106 ( -7.134 -6.313 -2.051) 9.744 14.302 ( -2.975 2.115 1.744) 4.045 15.816 ( -1.393 -9.160 -1.669) 9.414 16.263 ( 5.151 6.774 0.286) 8.514 16.621 ( 18.917 9.904 -8.941) 23.149 18.387 ( -11.872 -11.437 -3.598) 16.873 19.122 ( -7.775 -10.119 9.186) 15.723 ======================= Grid point 1072 (203/293) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 1.353 -7.590 -3.237) 8.361 4.944 ( -7.602 33.772 -3.236) 34.768 8.293 ( 18.232 8.501 -3.359) 20.395 9.563 ( -0.011 21.915 7.580) 23.189 10.839 ( 4.242 9.256 4.112) 10.980 12.034 ( 3.867 -3.659 1.427) 5.512 12.401 ( 2.135 6.773 -2.755) 7.618 12.790 ( 11.964 16.826 -15.216) 25.647 13.960 ( -4.360 -1.300 1.946) 4.949 14.291 ( -1.154 3.380 -1.003) 3.709 15.634 ( -6.390 -13.227 -1.032) 14.726 16.326 ( -2.855 7.891 -0.074) 8.392 17.033 ( 12.873 6.652 -0.511) 14.500 18.162 ( -1.891 -6.936 -5.003) 8.759 18.899 ( -5.189 -11.613 7.477) 14.754 ======================= Grid point 1073 (204/293) ======================= q-point: ( 0.39 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -3.527 -7.868 -0.533) 8.639 5.112 ( -12.888 35.238 -2.252) 37.588 8.527 ( 4.719 -0.703 4.742) 6.727 9.761 ( 0.648 17.421 1.280) 17.480 11.091 ( 12.342 12.452 -5.616) 18.409 12.072 ( 4.674 -4.701 1.930) 6.904 12.511 ( 3.501 5.708 -11.231) 13.076 12.978 ( -5.502 8.873 -3.659) 11.063 13.969 ( 3.045 4.502 -0.078) 5.436 14.327 ( 0.679 4.132 -3.348) 5.361 15.377 ( -7.692 -11.631 1.183) 13.995 16.342 ( -5.931 10.316 0.621) 11.916 17.137 ( -1.841 0.777 0.917) 2.198 18.117 ( -0.802 -9.695 9.433) 13.551 18.799 ( 7.857 -6.787 -4.628) 11.368 ======================= Grid point 1074 (205/293) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( -4.889 -5.885 3.009) 8.221 5.187 ( -18.457 33.818 -2.466) 38.606 8.471 ( -6.183 -5.848 9.077) 12.443 9.926 ( 0.957 13.237 -2.922) 13.589 11.458 ( 15.420 10.614 -13.608) 23.143 12.081 ( 2.765 -7.147 1.935) 7.903 12.625 ( 2.103 4.223 -14.669) 15.409 12.837 ( -16.348 7.595 1.836) 18.120 14.031 ( -0.176 -4.309 -0.668) 4.364 14.398 ( 1.744 7.329 -5.350) 9.240 15.215 ( -0.725 -3.478 4.156) 5.468 16.321 ( -8.543 10.542 1.563) 13.659 17.109 ( -0.568 1.700 -0.001) 1.792 17.844 ( -14.653 -15.197 17.826) 27.631 19.016 ( 19.517 -3.516 -9.446) 21.965 ======================= Grid point 1076 (206/293) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( -3.980 -3.136 5.484) 7.467 5.141 ( -23.843 30.016 -2.993) 38.450 8.235 ( -13.392 -7.233 7.940) 17.167 10.049 ( 0.566 8.700 -4.559) 9.839 11.760 ( 10.341 3.746 -16.132) 19.525 12.007 ( -1.944 -10.071 1.844) 10.421 12.414 ( -26.761 4.822 5.266) 27.697 12.873 ( 5.889 9.488 -20.333) 23.198 13.884 ( -2.708 -14.067 1.086) 14.366 14.502 ( -1.078 9.583 -3.803) 10.367 15.283 ( 7.847 2.194 5.629) 9.903 16.267 ( -8.480 8.847 1.866) 12.396 17.159 ( -0.627 1.454 1.191) 1.982 17.409 ( -15.151 -10.072 16.032) 24.249 19.307 ( 18.798 -5.508 -7.557) 20.995 ======================= Grid point 1077 (207/293) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( -2.970 -0.485 6.483) 7.147 4.964 ( -28.213 24.179 -3.701) 37.340 7.885 ( -19.453 -6.631 3.647) 20.874 10.103 ( -1.648 2.926 -2.096) 3.959 11.743 ( -11.796 -11.574 -5.463) 17.405 11.923 ( -4.986 2.128 -2.777) 6.091 11.979 ( -21.115 3.482 -1.238) 21.436 13.031 ( 3.028 1.474 -15.819) 16.174 13.794 ( 7.812 -8.151 -3.378) 11.785 14.525 ( -5.065 6.186 0.153) 7.997 15.470 ( 9.994 2.845 5.823) 11.912 16.218 ( -6.471 7.154 1.407) 9.749 16.771 ( -25.001 -12.517 6.535) 28.713 17.502 ( 12.169 11.784 7.053) 18.350 19.534 ( 15.510 -7.903 -5.711) 18.321 ======================= Grid point 1078 (208/293) ======================= q-point: (-0.39 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( -3.331 2.008 7.109) 8.103 4.661 ( -30.877 17.153 -4.801) 35.647 7.440 ( -26.057 -5.336 -1.618) 26.646 10.011 ( -9.400 -5.255 8.776) 13.892 11.340 ( -24.183 -0.376 -4.877) 24.673 11.548 ( -21.699 -2.904 -12.260) 25.092 11.986 ( 2.133 0.019 3.234) 3.874 12.991 ( -0.367 -10.308 -3.915) 11.032 13.974 ( 14.298 0.963 -13.053) 19.384 14.471 ( -5.749 2.495 3.976) 7.422 15.647 ( 6.697 2.128 6.082) 9.294 16.123 ( -16.618 -1.922 1.722) 16.817 16.301 ( -12.061 0.045 -3.832) 12.655 17.895 ( 17.430 14.769 8.703) 24.447 19.684 ( 12.388 -9.508 -4.197) 16.170 ======================= Grid point 1079 (209/293) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( -5.818 4.678 9.304) 11.929 4.267 ( -30.502 10.791 -6.193) 32.942 6.884 ( -33.809 -4.271 -6.141) 34.626 9.641 ( -23.167 -12.854 24.041) 35.776 10.999 ( -15.710 -1.189 -10.938) 19.179 11.150 ( -23.529 2.480 -16.681) 28.949 12.036 ( 3.585 1.765 8.268) 9.183 12.879 ( 2.928 -15.240 0.559) 15.528 14.203 ( 7.406 1.521 -14.685) 16.517 14.388 ( -4.724 0.780 3.868) 6.155 15.589 ( -18.620 2.061 2.014) 18.842 15.870 ( 0.945 -3.312 -4.210) 5.440 16.295 ( 1.108 6.201 -4.313) 7.634 18.354 ( 18.591 14.434 10.355) 25.714 19.779 ( 10.377 -9.992 -2.650) 14.647 ======================= Grid point 1080 (210/293) ======================= q-point: (-0.28 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( -15.171 6.784 10.779) 19.808 3.894 ( -21.192 7.904 -3.429) 22.877 6.201 ( -41.939 -3.090 -8.582) 42.920 9.025 ( -29.986 -16.823 31.008) 46.300 10.646 ( -19.671 -8.430 10.369) 23.781 10.907 ( -15.620 13.749 -38.095) 43.408 12.169 ( 9.215 3.932 9.196) 13.599 12.793 ( 5.274 -18.097 1.369) 18.899 14.044 ( -21.309 -2.227 -15.737) 26.583 14.469 ( 6.913 4.815 0.875) 8.469 15.374 ( -7.793 5.625 -2.584) 9.952 15.876 ( 2.006 -4.488 -3.412) 5.984 16.411 ( 4.640 5.812 -5.789) 9.424 18.784 ( 15.957 11.922 11.344) 22.923 19.854 ( 9.936 -9.297 -0.789) 13.630 ======================= Grid point 1088 (211/293) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 11.516 0.797 7.775) 13.918 4.417 ( 18.321 24.392 -8.363) 31.632 6.882 ( 22.024 29.633 -8.449) 37.876 9.350 ( -0.892 31.761 23.516) 39.529 10.809 ( -2.511 13.735 6.326) 15.329 11.424 ( 26.695 14.825 -29.033) 42.135 12.081 ( -0.200 -5.858 7.746) 9.714 12.565 ( -13.886 6.799 5.528) 16.420 14.227 ( -0.027 -2.559 -14.310) 14.537 14.400 ( -0.422 -0.369 3.650) 3.693 15.669 ( 14.032 12.426 -1.404) 18.796 15.841 ( 1.242 0.696 -4.294) 4.524 16.398 ( 2.591 -3.772 -5.853) 7.430 18.607 ( 0.100 -20.613 9.509) 22.700 19.558 ( -16.218 -4.734 -0.795) 16.913 ======================= Grid point 1089 (212/293) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 9.679 -3.602 2.759) 10.690 4.939 ( 10.447 30.471 -5.642) 32.703 7.519 ( 23.177 20.607 -7.980) 32.024 9.613 ( -1.786 26.215 15.461) 30.487 10.866 ( -4.303 11.284 5.265) 13.175 11.958 ( 6.565 3.354 -3.078) 7.989 12.122 ( 18.853 10.964 -16.746) 27.497 12.477 ( -6.502 10.904 8.079) 15.048 14.094 ( -3.363 -11.555 -14.931) 19.177 14.412 ( -3.076 5.900 8.188) 10.550 15.751 ( -0.606 -7.555 -0.389) 7.590 16.165 ( 15.918 14.236 -1.284) 21.394 16.465 ( 8.135 3.759 -6.964) 11.349 18.382 ( -3.813 -18.364 6.229) 19.763 19.228 ( -15.097 -7.130 0.726) 16.712 ======================= Grid point 1090 (213/293) ======================= q-point: ( 0.28 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( 5.416 -6.695 1.006) 8.670 5.361 ( 0.928 35.530 -2.183) 35.609 8.051 ( 20.237 10.599 -5.392) 23.473 9.809 ( -2.366 21.123 8.523) 22.900 10.919 ( -1.795 11.832 3.515) 12.473 11.952 ( 1.221 -3.865 0.637) 4.103 12.476 ( -0.395 9.688 -1.112) 9.759 12.714 ( 17.196 19.818 -13.098) 29.326 13.945 ( -0.744 -9.776 -11.820) 15.357 14.419 ( -4.719 9.792 8.250) 13.646 15.611 ( -4.676 -10.907 -0.788) 11.893 16.398 ( 2.853 7.244 1.015) 7.852 16.824 ( 19.543 10.117 -3.004) 22.210 18.137 ( -5.030 -14.003 2.180) 15.038 18.915 ( -11.036 -10.696 2.570) 15.583 ======================= Grid point 1091 (214/293) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 0.610 -7.746 2.473) 8.154 5.669 ( -7.700 38.550 -0.431) 39.314 8.381 ( 11.563 0.164 0.775) 11.590 9.958 ( -2.298 17.752 1.982) 18.009 11.064 ( 4.980 12.848 -1.475) 13.859 11.952 ( 3.415 -4.750 0.174) 5.853 12.556 ( -0.345 9.178 -5.422) 10.666 13.080 ( 5.144 11.491 -11.448) 17.016 13.917 ( 5.327 -2.677 -6.850) 9.081 14.444 ( -5.266 11.864 5.850) 14.238 15.401 ( -6.988 -9.756 0.205) 12.002 16.497 ( -0.541 9.429 1.183) 9.518 17.137 ( 6.086 4.228 2.070) 7.694 17.988 ( 2.239 -10.857 3.162) 11.527 18.665 ( -3.528 -12.002 -0.047) 12.510 ======================= Grid point 1092 (215/293) ======================= q-point: ( 0.39 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -2.284 -6.407 5.298) 8.622 5.849 ( -15.822 38.358 -0.334) 41.494 8.452 ( 1.419 -6.822 6.600) 9.597 10.079 ( -2.261 14.353 -2.361) 14.721 11.331 ( 11.380 11.076 -8.465) 17.995 11.956 ( 3.265 -6.980 0.741) 7.741 12.650 ( 0.948 8.695 -12.082) 14.916 13.126 ( -7.369 5.846 -6.548) 11.461 13.997 ( 2.112 -3.100 -1.029) 3.890 14.476 ( -2.833 11.638 0.656) 11.996 15.233 ( -4.141 -2.624 2.160) 5.357 16.554 ( -5.263 11.043 2.106) 12.413 17.155 ( -2.905 1.315 1.498) 3.524 17.873 ( -5.334 -14.168 13.602) 20.351 18.652 ( 14.496 -8.577 -7.757) 18.544 ======================= Grid point 1093 (216/293) ======================= q-point: (-0.56 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -2.770 -3.382 7.485) 8.668 5.873 ( -23.535 34.216 -0.863) 41.537 8.330 ( -6.085 -8.256 7.639) 12.788 10.159 ( -2.486 9.902 -3.315) 10.734 11.615 ( 11.022 4.861 -13.482) 18.080 11.912 ( 0.977 -9.522 1.537) 9.695 12.728 ( -3.733 6.287 -12.729) 14.680 13.038 ( -9.570 12.295 -7.378) 17.239 13.837 ( -8.387 -13.913 2.950) 16.511 14.606 ( 1.300 13.092 -2.474) 13.386 15.217 ( 2.045 2.206 3.915) 4.937 16.518 ( -10.091 8.961 2.820) 13.787 17.171 ( 1.768 4.488 1.266) 4.987 17.550 ( -13.806 -13.551 15.068) 24.521 18.891 ( 20.918 -8.987 -7.525) 23.978 ======================= Grid point 1094 (217/293) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( -2.131 0.324 7.975) 8.262 5.716 ( -29.752 26.292 -1.517) 39.733 8.103 ( -12.344 -5.576 4.416) 14.247 10.182 ( -3.428 4.496 -1.323) 5.807 11.704 ( -1.414 -11.442 -10.659) 15.702 11.860 ( 3.983 -2.108 -0.699) 4.560 12.555 ( -23.012 8.553 -5.532) 25.166 13.086 ( -4.590 10.592 -12.243) 16.827 13.597 ( 2.106 -13.158 -0.979) 13.362 14.687 ( -5.341 8.447 -0.910) 10.035 15.335 ( 8.566 2.455 4.403) 9.939 16.422 ( -9.316 6.599 2.594) 11.707 17.041 ( -18.912 -9.289 6.911) 22.174 17.436 ( 7.937 9.261 7.814) 14.485 19.140 ( 19.330 -11.006 -5.935) 23.021 ======================= Grid point 1095 (218/293) ======================= q-point: (-0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -1.934 4.039 7.083) 8.380 5.385 ( -33.437 16.486 -2.712) 37.379 7.799 ( -19.416 -1.407 -0.735) 19.481 10.111 ( -7.124 -2.180 4.559) 8.735 11.450 ( -9.424 -16.491 -4.298) 19.473 11.924 ( 3.522 -0.688 -1.101) 3.754 12.183 ( -31.785 13.779 -10.024) 36.064 12.958 ( -7.801 -8.867 0.997) 11.852 13.732 ( 15.128 2.118 -14.859) 21.310 14.610 ( -8.161 1.797 3.199) 8.948 15.524 ( 9.740 2.547 3.245) 10.578 16.336 ( -8.136 4.388 2.333) 9.534 16.597 ( -22.512 -4.048 1.274) 22.909 17.761 ( 14.932 13.690 8.452) 21.951 19.328 ( 16.326 -12.385 -4.612) 21.004 ======================= Grid point 1096 (219/293) ======================= q-point: (-0.39 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( -3.008 7.460 6.411) 10.287 4.922 ( -34.079 7.884 -5.061) 35.343 7.402 ( -27.829 1.868 -5.539) 28.436 9.860 ( -16.290 -10.095 14.484) 24.022 11.111 ( -11.015 -14.767 -0.020) 18.422 11.762 ( -30.778 15.146 -18.647) 39.044 11.997 ( 2.326 1.707 2.394) 3.750 12.736 ( -3.803 -14.291 5.616) 15.819 14.026 ( 14.220 3.641 -17.045) 22.494 14.483 ( -6.167 -1.445 5.638) 8.480 15.693 ( 6.251 2.578 2.385) 7.169 16.084 ( -22.690 0.629 -1.142) 22.728 16.372 ( -4.745 4.700 -4.425) 8.012 18.180 ( 17.864 13.398 9.534) 24.280 19.459 ( 13.713 -12.630 -3.085) 18.897 ======================= Grid point 1107 (220/293) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.897 ( 6.394 -3.972 5.034) 9.056 5.547 ( 16.498 30.230 -1.857) 34.489 7.852 ( 15.676 13.282 -4.461) 21.025 10.015 ( -0.443 14.724 8.159) 16.839 11.137 ( -7.546 15.526 -0.310) 17.266 11.919 ( -1.397 -3.370 -0.217) 3.654 12.441 ( 21.434 16.132 -16.040) 31.256 12.749 ( -1.506 17.064 6.974) 18.496 13.831 ( -1.103 -14.824 -17.330) 22.832 14.575 ( -0.357 10.373 7.000) 12.519 15.573 ( -3.008 -10.019 0.706) 10.485 16.389 ( 6.429 8.056 2.254) 10.551 16.629 ( 15.263 13.057 -2.723) 20.270 18.007 ( 0.933 -19.193 8.110) 20.857 19.080 ( -18.224 -8.115 -2.744) 20.136 ======================= Grid point 1108 (221/293) ======================= q-point: ( 0.28 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 3.118 -5.729 5.953) 8.831 6.062 ( 5.974 34.722 0.798) 35.241 8.172 ( 12.406 1.749 -1.253) 12.591 10.143 ( -0.477 13.141 2.183) 13.329 11.183 ( -3.405 13.872 -0.989) 14.318 11.873 ( 0.571 -4.276 -1.851) 4.695 12.683 ( -0.845 11.273 -5.066) 12.388 13.068 ( 9.378 14.935 -6.983) 18.968 13.745 ( 6.935 -9.584 -13.541) 17.981 14.674 ( -3.384 15.395 7.529) 17.468 15.405 ( -4.536 -9.745 0.764) 10.777 16.550 ( 4.161 8.214 1.889) 9.399 17.014 ( 14.056 9.317 1.728) 16.952 17.844 ( 0.513 -15.333 5.845) 16.417 18.701 ( -14.257 -11.210 -2.063) 18.253 ======================= Grid point 1109 (222/293) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 0.229 -5.613 8.199) 9.939 6.421 ( -5.768 37.133 1.660) 37.615 8.299 ( 6.646 -8.404 3.592) 11.301 10.252 ( -1.642 11.991 -3.143) 12.504 11.308 ( 3.648 11.140 -3.701) 12.292 11.846 ( 1.841 -6.045 -1.457) 6.485 12.770 ( -2.218 12.574 -7.718) 14.919 13.210 ( 0.214 1.970 -11.907) 12.071 13.856 ( 9.563 -4.346 -5.762) 11.981 14.736 ( -8.350 17.046 6.646) 20.111 15.269 ( -2.550 -3.499 1.906) 4.731 16.694 ( 1.397 10.553 2.308) 10.892 17.208 ( 0.520 3.207 3.586) 4.839 17.748 ( 3.409 -12.914 7.200) 15.174 18.426 ( -1.766 -12.237 -3.973) 12.987 ======================= Grid point 1110 (223/293) ======================= q-point: ( 0.39 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( -0.849 -3.513 10.064) 10.693 6.574 ( -18.093 34.118 1.306) 38.640 8.264 ( 2.199 -11.917 6.308) 13.662 10.312 ( -3.668 9.131 -4.758) 10.931 11.503 ( 7.839 6.157 -7.978) 12.767 11.804 ( 1.250 -8.065 -0.225) 8.164 12.853 ( -2.577 11.372 -12.341) 16.978 13.208 ( -1.341 2.798 -11.909) 12.307 13.844 ( -3.677 -11.066 1.025) 11.706 14.778 ( -4.888 17.604 3.223) 18.552 15.240 ( -1.283 1.603 3.476) 4.037 16.762 ( -6.830 9.481 3.035) 12.073 17.199 ( -0.726 3.590 2.301) 4.326 17.597 ( -6.678 -12.946 11.558) 18.595 18.457 ( 16.743 -10.948 -6.300) 20.973 ======================= Grid point 1112 (224/293) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( -0.368 -0.082 10.162) 10.169 6.462 ( -28.256 23.375 0.947) 36.684 8.170 ( -2.068 -6.756 4.822) 8.554 10.305 ( -5.257 4.761 -2.989) 7.696 11.610 ( 0.965 -7.078 -8.033) 10.750 11.768 ( 3.877 -2.422 -1.453) 4.797 12.856 ( -8.188 5.931 -13.074) 16.528 13.285 ( 3.720 10.675 -14.207) 18.156 13.551 ( -14.995 -12.154 5.368) 20.035 14.876 ( -4.870 12.700 0.563) 13.613 15.244 ( 2.828 -0.388 4.859) 5.636 16.659 ( -11.442 5.234 3.041) 12.945 17.227 ( -9.278 -1.885 4.919) 10.669 17.406 ( 2.728 2.631 8.696) 9.485 18.680 ( 20.681 -11.745 -5.407) 24.390 ======================= Grid point 1113 (225/293) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 0.387 3.820 8.157) 9.016 6.091 ( -33.450 9.741 0.253) 34.841 8.052 ( -9.469 1.463 0.421) 9.591 10.219 ( -7.397 -0.849 1.428) 7.581 11.431 ( -6.931 -14.370 -3.653) 16.368 11.847 ( 4.572 0.177 -3.465) 5.739 12.704 ( -15.190 4.965 -12.158) 20.079 13.137 ( -20.966 -6.224 6.027) 22.686 13.533 ( 12.125 8.307 -16.924) 22.415 14.787 ( -11.307 0.195 3.464) 11.828 15.373 ( 10.111 1.774 2.815) 10.644 16.522 ( -9.415 3.383 2.449) 10.299 16.931 ( -18.640 -0.617 3.790) 19.032 17.650 ( 12.542 11.199 7.633) 18.465 18.901 ( 18.900 -12.348 -4.415) 23.003 ======================= Grid point 1127 (226/293) ======================= q-point: ( 0.28 0.28 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( 1.054 -3.185 10.266) 10.800 6.693 ( 14.476 28.473 2.489) 32.038 8.134 ( 2.107 -4.973 2.457) 5.934 10.341 ( 2.680 7.228 -3.226) 8.357 11.426 ( -4.494 10.135 -2.660) 11.401 11.779 ( -0.533 -5.312 -3.538) 6.404 12.907 ( 2.989 10.610 -10.361) 15.128 13.249 ( -5.200 2.737 -7.847) 9.804 13.620 ( 13.369 -1.865 -6.689) 15.065 14.980 ( 1.707 14.014 5.083) 15.005 15.239 ( -1.349 -6.569 3.294) 7.472 16.722 ( 6.544 9.268 2.692) 11.661 17.196 ( 6.231 9.293 4.999) 12.255 17.554 ( 3.111 -13.628 5.791) 15.131 18.472 ( -16.122 -11.957 -3.665) 20.404 ======================= Grid point 1128 (227/293) ======================= q-point: ( 0.33 0.28 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 0.048 -2.566 12.187) 12.455 7.106 ( -3.017 31.917 3.135) 32.212 8.054 ( 3.102 -16.339 4.548) 17.242 10.430 ( -0.502 6.150 -6.662) 9.080 11.488 ( 1.497 7.113 -3.405) 8.026 11.718 ( 0.212 -6.729 -2.306) 7.116 13.034 ( -2.685 13.151 -10.417) 16.991 13.203 ( 0.708 -1.365 -13.696) 13.783 13.724 ( 4.289 -8.474 -1.841) 9.674 15.060 ( -7.007 13.994 6.138) 16.811 15.244 ( 3.163 -0.037 3.895) 5.017 16.905 ( 1.969 10.282 3.046) 10.903 17.271 ( -3.511 3.381 4.198) 6.433 17.506 ( 3.559 -11.007 6.086) 13.071 18.192 ( -0.601 -10.809 -3.601) 11.409 ======================= Grid point 1129 (228/293) ======================= q-point: (-0.61 0.28 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 0.692 -0.456 12.460) 12.488 7.122 ( -24.942 18.037 2.927) 30.919 8.026 ( 9.790 -9.384 4.790) 14.382 10.434 ( -4.473 3.148 -6.401) 8.420 11.557 ( -0.570 -1.963 -4.417) 4.867 11.683 ( 3.702 -1.827 -2.055) 4.612 13.050 ( -7.494 7.009 -13.137) 16.670 13.234 ( 3.203 -1.375 -13.113) 13.569 13.657 ( -2.370 -4.346 0.872) 5.027 15.093 ( -4.684 12.652 4.072) 14.092 15.231 ( -3.009 -3.851 5.346) 7.243 16.899 ( -10.601 3.867 3.143) 11.714 17.316 ( 2.679 8.397 3.256) 9.396 17.390 ( -3.632 -7.676 7.523) 11.345 18.251 ( 15.756 -8.661 -3.848) 18.387 ======================= Grid point 1146 (229/293) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -0.000 -0.000 13.527) 13.527 7.659 ( -10.642 -21.283 4.178) 24.160 7.659 ( 10.642 21.283 4.178) 24.160 10.492 ( -0.000 -0.000 -8.082) 8.082 11.600 ( -2.075 -4.150 -2.590) 5.314 11.600 ( 2.075 4.150 -2.590) 5.314 13.191 ( -0.400 -0.801 -13.799) 13.828 13.191 ( 0.400 0.800 -13.799) 13.828 13.610 ( -0.000 0.000 1.297) 1.297 15.227 ( -1.254 -2.507 5.487) 6.161 15.227 ( 1.254 2.507 5.487) 6.161 17.034 ( -0.000 0.000 3.661) 3.661 17.347 ( -1.779 -3.558 4.069) 5.691 17.347 ( 1.779 3.558 4.069) 5.691 18.062 ( 0.000 0.000 -2.394) 2.394 ======================= Grid point 1372 (230/293) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 293 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 0.000 6.472) 6.472 2.647 ( 0.000 -0.000 6.472) 6.472 4.253 ( 0.000 0.000 14.793) 14.793 8.186 ( 0.000 0.000 29.136) 29.136 8.186 ( 0.000 0.000 29.136) 29.136 9.684 ( 0.000 -0.000 -31.033) 31.033 9.684 ( 0.000 -0.000 -31.033) 31.033 13.360 ( 0.000 -0.000 -8.264) 8.264 15.339 ( 0.000 0.000 17.931) 17.931 15.339 ( 0.000 -0.000 17.931) 17.931 15.683 ( 0.000 -0.000 -14.202) 14.202 15.683 ( -0.000 -0.000 -14.202) 14.202 16.494 ( 0.000 0.000 2.426) 2.426 18.575 ( 0.000 0.000 -1.394) 1.394 20.544 ( 0.000 -0.000 1.565) 1.565 ======================= Grid point 1373 (231/293) ======================= q-point: ( 0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 6.436 3.716 1.474) 7.577 2.953 ( 26.683 15.405 9.942) 32.375 4.199 ( -3.716 -2.146 11.689) 12.452 8.180 ( 2.453 1.417 33.940) 34.059 8.873 ( 50.923 29.400 27.286) 64.823 9.737 ( 3.589 2.072 -32.093) 32.359 9.836 ( 14.762 8.523 -35.181) 39.093 13.307 ( -4.444 -2.566 -7.594) 9.166 14.767 ( -39.916 -23.045 14.698) 48.378 15.410 ( -2.166 -1.250 9.407) 9.733 15.589 ( -0.508 -0.293 -6.914) 6.939 15.607 ( -6.219 -3.591 -8.256) 10.942 16.551 ( 1.978 1.142 0.421) 2.322 18.880 ( 20.679 11.939 -0.738) 23.889 20.467 ( -6.421 -3.707 1.580) 7.581 ======================= Grid point 1374 (232/293) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 9.742 5.625 -3.121) 11.674 3.674 ( 29.171 16.842 16.354) 37.444 4.189 ( 8.884 5.129 -2.885) 10.656 8.294 ( 7.529 4.347 38.675) 39.640 9.857 ( 7.289 4.208 -33.982) 35.009 9.924 ( 28.355 16.371 22.633) 39.803 10.559 ( 54.597 31.521 -32.053) 70.724 13.176 ( -6.472 -3.737 -5.259) 9.139 13.829 ( -37.986 -21.931 11.364) 45.310 15.251 ( -9.637 -5.564 -2.931) 11.508 15.455 ( -7.291 -4.209 -4.040) 9.338 15.655 ( 4.295 2.480 4.574) 6.747 16.555 ( -1.268 -0.732 -2.283) 2.712 19.275 ( 11.499 6.639 -0.420) 13.285 20.273 ( -10.135 -5.852 2.384) 11.944 ======================= Grid point 1375 (233/293) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 11.729 6.772 -5.803) 14.734 3.949 ( 3.488 2.014 6.515) 7.659 4.874 ( 41.718 24.086 -5.701) 48.508 8.511 ( 11.131 6.427 41.679) 43.615 10.083 ( 12.947 7.475 -35.942) 38.927 10.391 ( 16.607 9.588 6.906) 20.381 11.804 ( 44.218 25.529 -9.095) 51.863 13.006 ( -13.482 -7.784 13.720) 20.751 13.229 ( -4.876 -2.815 -8.229) 9.971 15.012 ( -11.018 -6.361 -2.504) 12.967 15.286 ( -6.900 -3.984 -4.299) 9.054 15.752 ( 4.102 2.368 4.080) 6.251 16.507 ( -2.774 -1.601 -4.560) 5.572 19.362 ( -3.927 -2.267 -2.910) 5.388 20.036 ( -9.863 -5.695 5.960) 12.855 ======================= Grid point 1376 (234/293) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 12.277 7.088 -6.262) 15.497 4.030 ( 4.008 2.314 -5.534) 7.214 5.837 ( 41.712 24.082 -6.096) 48.549 8.779 ( 11.975 6.914 40.144) 42.458 10.458 ( 20.190 11.657 -35.547) 42.510 10.707 ( 11.186 6.458 8.202) 15.301 12.275 ( 1.611 0.930 -1.631) 2.474 12.683 ( -10.552 -6.092 18.696) 22.316 13.646 ( 29.457 17.007 -10.731) 35.666 14.761 ( -10.821 -6.247 0.513) 12.505 15.214 ( 3.561 2.056 -8.192) 9.166 15.838 ( 3.439 1.985 2.032) 4.460 16.430 ( -4.059 -2.343 -6.404) 7.936 19.111 ( -17.096 -9.870 -6.759) 20.866 19.852 ( -6.457 -3.728 10.632) 12.986 ======================= Grid point 1377 (235/293) ======================= q-point: ( 0.28 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 11.569 6.679 -5.234) 14.347 4.117 ( 3.207 1.851 -12.193) 12.743 6.742 ( 37.548 21.678 -8.242) 44.133 9.038 ( 10.620 6.131 33.289) 35.476 10.903 ( 6.219 3.591 12.741) 14.626 10.993 ( 26.337 15.206 -31.675) 43.910 12.199 ( -5.149 -2.973 -0.921) 6.016 12.526 ( -4.037 -2.331 18.178) 18.766 14.090 ( 7.398 4.271 -5.556) 10.190 14.526 ( -9.826 -5.673 4.461) 12.192 15.596 ( 29.476 17.018 -11.714) 35.995 15.907 ( 2.607 1.505 0.079) 3.011 16.317 ( -5.997 -3.462 -8.020) 10.596 18.651 ( -21.960 -12.678 -8.579) 26.769 19.718 ( -5.913 -3.414 12.808) 14.515 ======================= Grid point 1378 (236/293) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 9.853 5.689 -3.770) 11.986 4.160 ( 0.331 0.191 -13.853) 13.858 7.533 ( 31.850 18.389 -10.093) 38.137 9.257 ( 8.654 4.996 24.024) 26.019 11.000 ( 2.551 1.473 17.997) 18.236 11.623 ( 28.252 16.312 -26.259) 41.879 12.101 ( -2.904 -1.676 -1.589) 3.710 12.467 ( -1.672 -0.965 14.765) 14.890 14.129 ( -0.692 -0.399 -5.808) 5.862 14.315 ( -8.779 -5.068 8.353) 13.135 15.956 ( 1.692 0.977 -1.246) 2.317 16.122 ( -7.042 -4.066 -4.229) 9.165 16.390 ( 32.196 18.588 -12.656) 39.272 18.174 ( -18.506 -10.684 -11.083) 24.072 19.565 ( -7.879 -4.549 14.139) 16.813 ======================= Grid point 1379 (237/293) ======================= q-point: ( 0.39 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( -2.561 -1.479 -11.489) 11.864 4.168 ( 7.257 4.190 -2.613) 8.778 8.172 ( 23.757 13.716 -9.664) 29.085 9.432 ( 6.750 3.897 14.887) 16.803 11.033 ( 0.861 0.497 19.578) 19.603 12.075 ( 0.380 0.219 -3.851) 3.876 12.233 ( 24.353 14.060 -20.109) 34.571 12.438 ( -0.874 -0.505 9.141) 9.197 14.127 ( -7.696 -4.443 10.584) 13.820 14.129 ( 1.220 0.704 -5.602) 5.776 15.886 ( -12.029 -6.945 -4.478) 14.594 15.984 ( 0.804 0.464 -1.713) 1.948 17.013 ( 16.745 9.668 -2.404) 19.484 17.922 ( 0.406 0.235 -17.306) 17.312 19.350 ( -11.038 -6.373 14.873) 19.588 ======================= Grid point 1380 (238/293) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( -3.652 -2.109 -6.588) 7.822 4.295 ( 3.878 2.239 -2.000) 4.904 8.578 ( 11.159 6.443 -4.143) 13.535 9.565 ( 5.015 2.895 6.543) 8.737 11.075 ( 3.699 2.135 11.379) 12.154 12.096 ( 1.005 0.580 -6.874) 6.971 12.432 ( 0.426 0.246 4.203) 4.232 12.670 ( 12.406 7.163 -10.002) 17.472 13.986 ( -3.774 -2.179 7.398) 8.586 14.182 ( 2.872 1.658 -4.232) 5.377 15.612 ( -10.935 -6.313 -1.344) 12.698 15.994 ( 0.081 0.047 -1.366) 1.369 17.109 ( -2.683 -1.549 0.242) 3.108 18.198 ( 16.548 9.554 -13.364) 23.317 19.080 ( -11.322 -6.537 11.956) 17.716 ======================= Grid point 1381 (239/293) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( -2.782 -1.606 -0.655) 3.279 4.339 ( -0.072 -0.041 -1.762) 1.764 8.657 ( -4.033 -2.329 4.883) 6.748 9.661 ( 3.472 2.004 -1.189) 4.181 11.217 ( 8.387 4.842 -5.009) 10.903 12.108 ( -0.162 -0.093 -8.608) 8.610 12.457 ( 1.806 1.042 0.234) 2.098 12.731 ( -7.278 -4.202 6.125) 10.400 13.996 ( 4.645 2.682 -2.776) 6.039 14.216 ( -0.906 -0.523 -2.447) 2.661 15.453 ( -1.777 -1.026 2.772) 3.449 15.990 ( -0.349 -0.202 -0.615) 0.735 17.064 ( 0.037 0.021 -0.421) 0.423 18.295 ( -12.201 -7.044 11.556) 18.222 19.034 ( 10.209 5.894 -8.110) 14.309 ======================= Grid point 1383 (240/293) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( -1.310 -0.756 4.910) 5.138 4.291 ( -4.225 -2.439 -1.519) 5.109 8.422 ( -15.915 -9.188 9.969) 20.907 9.724 ( 2.093 1.209 -8.634) 8.966 11.410 ( 7.269 4.197 -19.093) 20.857 12.080 ( -2.251 -1.300 -4.859) 5.511 12.389 ( -21.394 -12.352 16.326) 29.611 12.529 ( 4.841 2.795 -6.485) 8.562 14.141 ( -4.577 -2.642 -0.086) 5.285 14.144 ( 7.053 4.072 -7.116) 10.815 15.536 ( 7.919 4.572 6.107) 10.996 15.981 ( -0.454 -0.262 -0.141) 0.543 17.118 ( 3.439 1.985 -0.577) 4.012 17.840 ( -23.103 -13.339 19.678) 33.150 19.345 ( 13.918 8.036 -12.376) 20.285 ======================= Grid point 1384 (241/293) ======================= q-point: (-0.39 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.915 ( -0.728 -0.421 9.002) 9.041 4.149 ( -8.137 -4.698 -0.851) 9.434 7.966 ( -23.703 -13.685 9.535) 28.983 9.758 ( 0.842 0.486 -16.010) 16.039 11.490 ( -1.134 -0.655 -23.504) 23.541 11.806 ( -29.081 -16.790 20.623) 39.407 12.035 ( -0.644 -0.372 1.032) 1.272 12.669 ( 6.786 3.918 -14.332) 16.334 14.061 ( -1.685 -0.973 1.296) 2.338 14.288 ( 5.551 3.205 -4.907) 8.072 15.752 ( 10.051 5.803 8.489) 14.380 15.971 ( -0.400 -0.231 -0.498) 0.679 16.920 ( -26.503 -15.301 7.006) 31.395 17.606 ( 8.578 4.952 12.329) 15.815 19.619 ( 10.080 5.819 -11.026) 16.033 ======================= Grid point 1385 (242/293) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -1.185 -0.684 11.176) 11.260 3.926 ( -11.371 -6.565 0.564) 13.142 7.359 ( -29.530 -17.049 6.304) 34.676 9.764 ( -0.277 -0.160 -23.518) 23.521 11.097 ( -32.674 -18.865 23.403) 44.398 11.364 ( -9.014 -5.204 -16.367) 19.396 12.070 ( 3.317 1.915 2.018) 4.329 12.804 ( 4.803 2.773 -18.028) 18.862 14.073 ( 2.163 1.249 -0.252) 2.510 14.402 ( 4.701 2.714 -0.130) 5.429 15.951 ( 3.877 2.238 12.916) 13.670 15.962 ( -0.420 -0.243 -1.787) 1.852 16.191 ( -30.666 -17.705 4.909) 35.749 17.976 ( 20.615 11.902 8.422) 25.250 19.806 ( 6.523 3.766 -9.295) 11.964 ======================= Grid point 1386 (243/293) ======================= q-point: (-0.28 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -13.481 -7.783 2.848) 15.825 3.864 ( -1.266 -0.731 11.772) 11.862 6.627 ( -34.839 -20.114 2.423) 40.301 9.745 ( -1.500 -0.866 -32.588) 32.634 10.353 ( -32.038 -18.497 28.039) 46.419 11.110 ( -13.168 -7.602 -6.733) 16.629 12.165 ( 4.850 2.800 3.085) 6.393 12.899 ( 4.178 2.412 -17.512) 18.165 14.066 ( -7.014 -4.050 -3.358) 8.768 14.514 ( 5.358 3.093 5.287) 8.138 15.397 ( -26.511 -15.306 6.570) 31.310 15.951 ( -0.609 -0.352 -3.798) 3.863 16.175 ( 7.161 4.134 5.403) 9.877 18.474 ( 22.218 12.828 8.767) 27.112 19.927 ( 4.469 2.580 -7.594) 9.182 ======================= Grid point 1387 (244/293) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( -13.936 -8.046 5.811) 17.109 3.851 ( 0.471 0.272 11.731) 11.743 5.778 ( -39.664 -22.900 -1.009) 45.811 9.586 ( -22.036 -12.723 -16.239) 30.185 9.780 ( -8.152 -4.707 8.604) 12.753 10.759 ( -17.967 -10.373 3.611) 21.059 12.267 ( 2.100 1.212 0.349) 2.450 13.026 ( 7.329 4.231 -13.218) 15.694 13.585 ( -31.960 -18.452 -6.467) 37.467 14.651 ( 6.772 3.910 10.300) 12.932 15.118 ( 0.741 0.428 0.651) 1.075 15.933 ( -0.961 -0.555 -6.273) 6.370 16.325 ( 5.948 3.434 3.516) 7.716 18.942 ( 17.906 10.338 9.516) 22.761 20.023 ( 4.309 2.488 -5.859) 7.687 ======================= Grid point 1388 (245/293) ======================= q-point: (-0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -12.212 -7.050 8.790) 16.616 3.897 ( 3.697 2.134 12.765) 13.460 4.838 ( -42.507 -24.541 -3.877) 49.235 9.033 ( -22.438 -12.954 15.317) 30.098 9.714 ( -1.558 -0.900 -24.142) 24.209 10.290 ( -23.362 -13.488 15.277) 31.001 11.916 ( -40.541 -23.406 -17.865) 50.106 13.036 ( -1.399 -0.807 3.895) 4.216 13.355 ( 17.386 10.038 -13.127) 23.986 14.819 ( 7.914 4.569 14.301) 16.971 15.248 ( 7.990 4.613 -0.937) 9.274 15.905 ( -1.527 -0.882 -8.916) 9.089 16.443 ( 4.420 2.552 1.457) 5.308 19.239 ( 7.065 4.079 8.479) 11.766 20.139 ( 6.132 3.541 -3.455) 7.879 ======================= Grid point 1389 (246/293) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -8.289 -4.786 10.580) 14.267 3.847 ( -35.898 -20.726 9.083) 42.435 4.049 ( 1.556 0.898 1.177) 2.148 8.600 ( -15.616 -9.016 20.711) 27.461 9.665 ( -33.689 -19.450 31.384) 49.982 9.685 ( -0.964 -0.556 -28.724) 28.746 10.761 ( -51.068 -29.484 -35.330) 68.743 13.160 ( 7.591 4.382 -3.827) 9.564 13.972 ( 35.963 20.763 -1.711) 41.562 15.004 ( 8.178 4.721 16.931) 19.386 15.420 ( 6.522 3.766 -1.244) 7.633 15.861 ( -2.464 -1.423 -11.339) 11.691 16.522 ( 2.364 1.365 0.853) 2.860 19.222 ( -8.900 -5.138 4.473) 11.208 20.303 ( 7.972 4.602 -0.367) 9.212 ======================= Grid point 1390 (247/293) ======================= q-point: (-0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 774 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -3.090 -1.784 9.907) 10.530 3.035 ( -29.562 -17.068 2.251) 34.209 4.183 ( 5.680 3.279 12.955) 14.520 8.321 ( -8.985 -5.188 24.782) 26.867 8.721 ( -42.833 -24.730 34.267) 60.170 9.672 ( -0.134 -0.077 -30.272) 30.272 9.926 ( -21.492 -12.409 -36.224) 43.910 13.305 ( 4.666 2.694 -7.431) 9.179 14.885 ( 39.708 22.925 5.560) 46.186 15.184 ( 7.526 4.345 18.078) 20.058 15.533 ( 3.776 2.180 -3.439) 5.553 15.789 ( -3.888 -2.245 -13.168) 13.912 16.540 ( -1.143 -0.660 1.540) 2.028 18.869 ( -19.532 -11.277 0.241) 22.555 20.471 ( 5.970 3.447 1.279) 7.011 ======================= Grid point 1392 (248/293) ======================= q-point: ( 0.06 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 9.752 5.358 5.121) 12.249 3.555 ( 15.787 39.146 7.738) 42.913 4.118 ( 1.666 -4.489 5.246) 7.103 8.389 ( -3.323 17.290 31.708) 36.269 9.542 ( 29.179 27.073 18.340) 43.826 9.764 ( 10.397 6.038 -19.592) 22.987 10.382 ( 17.494 47.675 -38.961) 64.007 13.210 ( -3.501 -6.913 -5.674) 9.604 14.129 ( -28.293 -37.508 7.333) 47.551 15.141 ( 2.260 -14.700 6.074) 16.065 15.542 ( 5.537 -4.018 3.974) 7.912 15.716 ( -11.340 5.682 -10.283) 16.329 16.548 ( 0.378 -1.609 -0.503) 1.728 19.174 ( 9.685 13.409 1.452) 16.604 20.342 ( -5.794 -8.365 1.105) 10.236 ======================= Grid point 1393 (249/293) ======================= q-point: ( 0.11 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 11.758 9.052 -1.535) 14.918 3.936 ( 1.033 4.025 13.170) 13.810 4.520 ( 31.159 31.814 -7.025) 45.082 8.562 ( 0.556 21.682 38.563) 44.244 9.896 ( 14.276 1.945 -35.662) 38.463 10.220 ( 16.984 14.746 11.063) 25.065 11.432 ( 37.984 49.004 -17.231) 64.351 13.074 ( -4.576 -6.523 1.866) 8.183 13.382 ( -21.308 -19.748 2.024) 29.122 14.979 ( -2.786 -15.532 -1.221) 15.827 15.498 ( -11.023 1.255 -0.039) 11.095 15.674 ( 4.300 1.145 0.085) 4.451 16.518 ( -1.149 -2.913 -2.999) 4.336 19.357 ( 2.654 0.285 0.705) 2.761 20.128 ( -8.913 -8.369 2.495) 12.478 ======================= Grid point 1394 (250/293) ======================= q-point: ( 0.17 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 11.091 14.009 -4.683) 18.472 3.981 ( 3.188 0.730 0.428) 3.298 5.439 ( 36.372 32.297 -5.064) 48.905 8.810 ( 2.137 22.782 40.409) 46.438 10.229 ( 19.384 8.466 -37.087) 42.695 10.583 ( 11.948 9.637 7.234) 16.969 12.229 ( 11.113 13.235 -4.432) 17.841 12.797 ( -12.391 -10.753 17.846) 24.241 13.374 ( 20.945 17.581 -13.058) 30.303 14.766 ( -4.134 -14.597 -2.870) 15.440 15.329 ( -9.573 4.501 -2.543) 10.880 15.772 ( 5.467 0.319 1.813) 5.769 16.457 ( -2.345 -3.375 -4.930) 6.419 19.258 ( -9.636 -8.250 -3.308) 13.110 19.904 ( -7.131 -7.807 6.985) 12.672 ======================= Grid point 1395 (251/293) ======================= q-point: ( 0.22 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 8.003 17.815 -4.715) 20.091 4.062 ( 4.881 1.226 -8.346) 9.745 6.351 ( 35.586 27.364 -6.546) 45.365 9.063 ( 2.123 20.631 35.532) 41.142 10.725 ( 24.170 16.120 -33.672) 44.473 10.821 ( 7.734 4.945 9.685) 13.344 12.259 ( -4.975 -2.588 -1.728) 5.868 12.577 ( -5.577 -3.782 18.180) 19.388 13.961 ( 16.654 12.664 -6.718) 21.974 14.573 ( -3.793 -10.245 -0.358) 10.931 15.392 ( 11.185 14.160 -7.682) 19.612 15.856 ( 4.055 -0.077 0.454) 4.081 16.371 ( -3.897 -3.279 -6.417) 8.192 18.897 ( -19.675 -11.420 -6.851) 23.759 19.738 ( -3.801 -8.070 10.893) 14.079 ======================= Grid point 1396 (252/293) ======================= q-point: ( 0.28 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 4.761 15.036 -4.958) 16.533 4.161 ( 2.389 6.393 -11.073) 13.007 7.177 ( 32.517 22.034 -8.652) 40.220 9.282 ( 1.491 17.358 26.875) 32.028 10.955 ( 4.442 1.855 14.489) 15.268 11.344 ( 26.179 20.682 -28.026) 43.572 12.139 ( -4.290 -3.346 -1.225) 5.577 12.497 ( -2.613 -0.194 16.422) 16.630 14.101 ( 0.553 -3.842 -5.859) 7.028 14.425 ( -6.757 -2.758 5.619) 9.210 15.897 ( 2.232 -3.242 -1.214) 4.119 15.979 ( 30.493 19.878 -8.018) 37.273 16.269 ( -4.418 0.204 -8.580) 9.653 18.421 ( -21.848 -10.427 -9.035) 25.839 19.592 ( -3.784 -9.378 12.860) 16.360 ======================= Grid point 1397 (253/293) ======================= q-point: ( 0.33 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 1.818 0.055 -10.587) 10.742 4.301 ( -2.566 22.062 -3.902) 22.551 7.881 ( 27.289 16.563 -9.781) 33.387 9.456 ( 0.804 14.059 17.948) 22.813 11.018 ( 1.782 0.758 18.603) 18.703 11.973 ( 21.410 16.278 -18.928) 32.888 12.083 ( 2.112 2.301 -5.708) 6.506 12.461 ( -1.998 0.623 11.497) 11.686 14.048 ( 1.099 -7.147 -4.492) 8.513 14.289 ( -8.384 2.315 7.391) 11.414 15.835 ( -1.888 -11.206 -3.007) 11.755 16.151 ( -6.565 6.171 -3.007) 9.499 16.744 ( 28.477 16.097 -7.281) 33.512 18.014 ( -13.786 -5.641 -12.970) 19.750 19.409 ( -6.118 -11.133 14.123) 18.996 ======================= Grid point 1398 (254/293) ======================= q-point: ( 0.39 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.084 ( -1.913 -2.426 -8.525) 9.067 4.461 ( -6.226 24.389 -1.657) 25.225 8.406 ( 18.073 9.763 -7.322) 21.807 9.588 ( 0.276 11.024 9.909) 14.825 11.053 ( 1.644 2.002 15.967) 16.176 12.074 ( 2.043 -0.380 -4.474) 4.933 12.404 ( 2.544 -0.295 2.599) 3.649 12.557 ( 12.860 15.475 -12.311) 23.588 14.003 ( 0.184 -4.766 2.472) 5.372 14.212 ( -4.109 4.904 1.749) 6.633 15.631 ( -5.937 -14.110 -2.356) 15.488 16.125 ( -6.188 9.720 -1.831) 11.667 17.125 ( 2.884 2.671 0.507) 3.963 17.995 ( 13.353 5.571 -17.244) 22.510 19.162 ( -8.897 -12.520 13.999) 20.782 ======================= Grid point 1399 (255/293) ======================= q-point: ( 0.44 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( -3.089 -1.900 -3.054) 4.741 4.555 ( -10.457 23.250 -1.565) 25.541 8.653 ( 3.999 1.125 0.402) 4.174 9.686 ( -0.085 8.777 2.486) 9.123 11.145 ( 5.548 5.005 3.203) 8.130 12.100 ( 1.026 -0.414 -6.776) 6.865 12.416 ( 2.072 -1.545 1.068) 2.797 12.805 ( -0.043 6.035 -2.380) 6.487 13.986 ( 0.407 2.406 1.667) 2.955 14.227 ( -0.041 2.640 -2.449) 3.601 15.419 ( -2.613 -10.469 0.489) 10.801 16.117 ( -6.509 10.269 -0.594) 12.172 17.089 ( -3.010 -0.185 -0.125) 3.018 18.301 ( 7.543 -0.570 -2.158) 7.866 18.935 ( -0.004 -7.034 3.311) 7.774 ======================= Grid point 1400 (256/293) ======================= q-point: (-0.50 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -2.295 -1.161 2.826) 3.821 4.558 ( -14.888 21.042 -1.787) 25.839 8.569 ( -9.993 -6.502 7.916) 14.311 9.759 ( -0.781 7.633 -4.499) 8.894 11.322 ( 7.897 5.351 -12.717) 15.897 12.091 ( -0.858 -1.907 -5.780) 6.147 12.458 ( 3.881 -0.517 -3.549) 5.285 12.662 ( -17.132 -1.986 10.545) 20.215 14.041 ( 2.438 -1.368 -3.093) 4.169 14.237 ( -1.667 5.036 -3.215) 6.203 15.391 ( 7.478 -3.488 3.328) 8.897 16.104 ( -6.613 9.786 0.642) 11.828 17.092 ( 2.047 2.818 -0.355) 3.501 18.068 ( -18.724 -14.866 17.061) 29.371 19.124 ( 17.496 2.417 -11.751) 21.214 ======================= Grid point 1401 (257/293) ======================= q-point: (-0.44 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( -1.268 -1.089 7.571) 7.754 4.462 ( -18.902 18.024 -1.677) 26.172 8.220 ( -19.912 -11.005 9.801) 24.772 9.808 ( -1.961 7.039 -11.025) 13.227 11.464 ( 3.578 0.657 -22.215) 22.511 12.040 ( -1.542 -2.812 -0.507) 3.247 12.186 ( -28.357 -7.725 16.719) 33.813 12.594 ( 6.090 4.318 -10.734) 13.075 14.002 ( 1.187 -8.574 0.679) 8.682 14.310 ( 0.460 9.268 -5.272) 10.673 15.558 ( 12.648 -0.631 4.960) 13.600 16.088 ( -5.844 8.917 1.502) 10.767 17.123 ( -8.138 -4.098 1.184) 9.188 17.618 ( -10.104 -5.796 18.021) 21.458 19.431 ( 15.577 0.619 -11.551) 19.402 ======================= Grid point 1402 (258/293) ======================= q-point: (-0.39 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -1.339 -1.579 10.222) 10.430 4.272 ( -21.730 14.088 -0.755) 25.908 7.697 ( -27.058 -13.242 7.509) 31.046 9.831 ( -3.237 6.599 -17.250) 18.751 11.424 ( -4.941 -6.076 -19.211) 20.746 11.545 ( -35.532 -9.447 19.019) 41.395 12.031 ( 2.441 -0.062 1.991) 3.150 12.744 ( 5.563 3.660 -16.245) 17.557 13.980 ( 5.449 -5.961 1.494) 8.214 14.400 ( 0.734 6.485 -2.638) 7.039 15.759 ( 11.298 -1.859 5.026) 12.504 16.087 ( -3.985 8.356 2.567) 9.607 16.577 ( -32.703 -18.060 8.212) 38.250 17.785 ( 15.739 12.449 9.187) 22.070 19.658 ( 11.874 -1.822 -9.905) 15.570 ======================= Grid point 1403 (259/293) ======================= q-point: (-0.33 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( -5.193 -0.587 9.699) 11.017 4.016 ( -19.710 8.285 2.172) 21.491 7.045 ( -33.402 -14.276 3.706) 36.514 9.828 ( -4.328 6.036 -22.942) 24.114 10.807 ( -38.260 -10.411 21.098) 44.915 11.224 ( -9.518 -8.652 -10.873) 16.843 12.107 ( 4.870 1.853 2.444) 5.756 12.839 ( 3.679 0.359 -16.318) 16.731 14.054 ( 5.738 -2.125 -1.354) 6.266 14.457 ( 1.207 1.342 2.007) 2.699 15.783 ( -28.347 -11.635 9.742) 32.153 15.902 ( -0.497 -5.110 -1.232) 5.280 16.152 ( 1.277 6.536 2.589) 7.146 18.244 ( 20.592 14.887 8.357) 26.748 19.808 ( 9.080 -3.309 -8.142) 12.637 ======================= Grid point 1404 (260/293) ======================= q-point: (-0.28 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -20.717 2.915 4.321) 21.362 3.873 ( -3.044 1.348 9.371) 9.945 6.279 ( -39.782 -14.577 0.039) 42.369 9.804 ( -4.849 5.071 -27.312) 28.199 10.061 ( -36.526 -10.427 21.983) 43.888 10.941 ( -13.774 -8.869 -1.425) 16.444 12.221 ( 5.357 2.870 2.993) 6.774 12.908 ( 6.358 -2.095 -13.272) 14.865 13.935 ( -21.393 -8.318 -4.612) 23.412 14.499 ( 8.164 -3.832 5.400) 10.512 15.277 ( -15.471 2.710 3.318) 16.054 15.903 ( 1.288 -3.958 -3.529) 5.457 16.270 ( 4.889 4.700 2.968) 7.403 18.736 ( 19.649 13.205 8.782) 25.250 19.916 ( 7.847 -3.435 -6.321) 10.646 ======================= Grid point 1405 (261/293) ======================= q-point: (-0.22 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -19.792 0.883 5.367) 20.526 3.879 ( 1.116 2.460 10.460) 10.803 5.409 ( -45.428 -13.715 -2.816) 47.537 9.379 ( -30.623 -11.031 24.747) 40.888 9.766 ( -4.947 4.369 -31.478) 32.163 10.575 ( -19.866 -6.949 8.042) 22.531 12.255 ( -10.647 -2.461 -5.378) 12.179 13.021 ( 8.236 -5.142 -0.240) 9.712 13.320 ( -23.447 -6.572 -12.138) 27.208 14.664 ( 12.041 -0.184 6.426) 13.650 15.263 ( 0.872 11.183 2.708) 11.540 15.870 ( 0.561 -5.876 -6.265) 8.608 16.394 ( 4.780 3.227 0.964) 5.847 19.132 ( 12.930 8.584 8.427) 17.661 20.023 ( 8.370 -2.119 -4.121) 9.568 ======================= Grid point 1406 (262/293) ======================= q-point: (-0.17 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -15.015 1.751 6.370) 16.404 3.945 ( 2.979 1.597 14.402) 14.794 4.491 ( -47.014 -9.105 -6.368) 48.309 8.812 ( -22.302 -12.053 27.498) 37.401 9.723 ( -5.000 3.776 -31.725) 32.338 10.139 ( -26.413 -0.683 16.678) 31.246 11.508 ( -58.055 -14.642 -22.440) 63.940 13.060 ( 6.846 1.820 1.571) 7.256 13.473 ( 29.481 0.584 -4.621) 29.847 14.884 ( 11.670 3.644 7.660) 14.427 15.419 ( 3.148 10.538 3.495) 11.540 15.808 ( 0.764 -8.925 -8.719) 12.501 16.491 ( 3.471 2.111 -0.482) 4.091 19.304 ( -0.297 2.898 5.550) 6.268 20.168 ( 10.074 -0.386 -1.111) 10.142 ======================= Grid point 1411 (263/293) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 13.437 16.840 0.508) 21.550 3.934 ( 2.022 -1.850 6.685) 7.225 5.274 ( 24.641 41.324 -4.265) 48.302 9.093 ( -1.658 30.735 37.575) 48.572 9.960 ( 18.628 4.961 -39.412) 43.874 10.515 ( 9.510 14.978 8.462) 19.656 12.204 ( 10.873 21.358 -8.106) 25.300 12.901 ( -11.501 -8.665 12.943) 19.362 13.279 ( 9.359 14.024 -13.999) 21.914 14.691 ( -4.423 -13.693 -0.587) 14.402 15.444 ( 1.258 -4.894 4.136) 6.530 15.738 ( -2.769 4.345 -4.228) 6.665 16.443 ( -0.682 -4.560 -2.377) 5.187 19.260 ( -1.521 -10.218 3.699) 10.972 19.961 ( -8.786 -8.194 0.324) 12.018 ======================= Grid point 1412 (264/293) ======================= q-point: ( 0.17 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 11.755 21.304 -1.421) 24.373 3.985 ( 5.253 1.093 -2.074) 5.752 6.103 ( 28.149 34.257 -4.590) 44.575 9.333 ( -3.939 27.955 34.449) 44.539 10.452 ( 26.354 15.098 -34.987) 46.331 10.763 ( 6.190 8.579 6.636) 12.488 12.299 ( -2.784 -4.009 -1.355) 5.065 12.661 ( -8.399 -2.143 12.315) 15.060 13.816 ( 18.966 22.497 -7.715) 30.419 14.495 ( -2.049 -12.017 -4.086) 12.857 15.428 ( 0.517 6.503 -0.367) 6.534 15.786 ( 3.393 1.076 -0.794) 3.647 16.381 ( -1.510 -3.961 -3.848) 5.725 19.044 ( -10.194 -13.417 -0.898) 16.874 19.733 ( -7.215 -9.273 4.610) 12.622 ======================= Grid point 1413 (265/293) ======================= q-point: ( 0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( 4.548 2.836 -3.982) 6.677 4.245 ( 8.000 25.546 -5.467) 27.322 6.889 ( 28.491 26.703 -6.160) 39.531 9.518 ( -3.995 23.493 25.666) 35.023 10.901 ( 4.617 3.639 8.755) 10.545 11.117 ( 26.679 23.744 -26.799) 44.651 12.170 ( -4.551 -6.127 -0.674) 7.662 12.565 ( -4.290 2.658 14.183) 15.054 14.052 ( -0.097 -4.865 -6.135) 7.830 14.455 ( 1.650 0.139 0.958) 1.913 15.730 ( 20.100 19.332 -5.161) 28.361 15.831 ( 2.099 -2.697 -1.283) 3.650 16.324 ( -1.939 -0.811 -4.891) 5.324 18.668 ( -18.100 -11.908 -5.281) 22.300 19.539 ( -3.748 -11.792 8.875) 15.227 ======================= Grid point 1414 (266/293) ======================= q-point: ( 0.28 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( 3.226 -1.091 -7.941) 8.640 4.615 ( 0.327 33.330 -2.717) 33.443 7.590 ( 26.813 19.497 -7.980) 34.099 9.660 ( -4.153 19.536 17.648) 26.652 10.989 ( 2.910 2.083 13.711) 14.170 11.796 ( 22.801 23.822 -20.119) 38.628 12.066 ( -0.423 -3.327 -2.719) 4.318 12.533 ( -3.950 4.317 12.660) 13.947 13.949 ( 0.218 -10.525 -7.389) 12.861 14.440 ( -5.237 3.881 6.027) 8.877 15.773 ( -2.081 -8.684 -2.132) 9.181 16.259 ( 3.719 7.503 -0.561) 8.393 16.429 ( 23.477 16.306 -9.633) 30.164 18.239 ( -18.976 -8.375 -8.622) 22.463 19.355 ( -3.185 -14.355 11.489) 18.661 ======================= Grid point 1415 (267/293) ======================= q-point: ( 0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( 0.551 -2.138 -7.491) 7.809 4.899 ( -7.295 36.370 -0.984) 37.107 8.168 ( 21.908 12.066 -7.993) 26.257 9.761 ( -4.306 15.769 10.954) 19.677 11.049 ( 1.687 2.884 15.400) 15.759 12.012 ( 2.969 -2.933 -2.164) 4.701 12.357 ( 9.300 11.018 -8.636) 16.806 12.556 ( 3.413 13.357 -0.932) 13.818 13.895 ( 4.411 -7.715 -5.217) 10.305 14.382 ( -7.433 7.027 6.545) 12.144 15.600 ( -5.689 -11.784 -1.971) 13.233 16.306 ( -3.131 9.151 -1.752) 9.829 17.006 ( 18.942 10.528 -2.507) 21.816 17.939 ( -5.743 -2.512 -13.476) 14.862 19.136 ( -5.049 -16.325 12.787) 21.342 ======================= Grid point 1416 (268/293) ======================= q-point: ( 0.39 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( -1.767 -1.986 -3.865) 4.691 5.080 ( -13.874 36.781 -0.642) 39.316 8.540 ( 11.803 3.465 -3.452) 12.777 9.830 ( -3.861 12.752 4.956) 14.215 11.125 ( 3.017 5.384 8.676) 10.647 12.045 ( 3.755 -3.013 -2.964) 5.653 12.400 ( -1.652 1.096 -0.050) 1.983 12.850 ( 5.347 12.688 -8.185) 16.018 13.951 ( 6.374 -0.306 -1.848) 6.643 14.329 ( -6.982 7.035 3.076) 10.378 15.384 ( -5.526 -10.079 -0.363) 11.500 16.340 ( -5.338 11.816 -0.838) 12.993 17.155 ( -3.482 0.999 0.809) 3.712 18.079 ( 16.309 1.750 -11.488) 20.026 18.875 ( -5.168 -15.959 10.407) 19.741 ======================= Grid point 1417 (269/293) ======================= q-point: ( 0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -2.489 -1.107 1.131) 2.950 5.147 ( -19.742 34.880 -1.147) 40.096 8.618 ( -1.831 -4.726 4.223) 6.597 9.888 ( -3.035 11.187 -0.880) 11.624 11.262 ( 5.702 6.309 -4.991) 9.860 12.059 ( 1.686 -4.352 -2.754) 5.419 12.407 ( 1.348 1.862 -4.403) 4.967 12.901 ( -8.621 3.896 2.121) 9.696 14.028 ( -0.732 -0.890 0.136) 1.161 14.312 ( -1.242 7.718 -2.490) 8.205 15.271 ( 1.512 -3.700 1.304) 4.204 16.346 ( -7.999 12.135 0.695) 14.551 17.109 ( -1.159 2.343 -0.012) 2.614 18.156 ( -6.947 -13.122 10.461) 18.163 18.825 ( 14.993 -4.772 -7.381) 17.379 ======================= Grid point 1419 (270/293) ======================= q-point: (-0.50 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( -2.180 -0.277 5.691) 6.101 5.091 ( -24.844 30.841 -1.674) 39.638 8.409 ( -13.504 -9.445 8.370) 18.483 9.942 ( -3.174 10.307 -5.630) 12.165 11.404 ( 4.558 2.434 -17.024) 17.791 12.017 ( -0.271 -5.716 -0.155) 5.724 12.459 ( -2.108 0.911 -4.075) 4.677 12.688 ( -16.063 5.399 4.728) 17.593 13.912 ( -2.792 -10.591 1.674) 11.080 14.415 ( -0.359 11.442 -4.602) 12.337 15.360 ( 9.544 0.454 2.166) 9.797 16.309 ( -8.679 10.009 1.983) 13.395 17.166 ( 1.222 3.817 -0.215) 4.014 17.764 ( -16.205 -14.031 17.492) 27.667 19.112 ( 19.555 -3.741 -11.204) 22.846 ======================= Grid point 1420 (271/293) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -1.970 0.195 8.517) 8.744 4.907 ( -28.805 24.741 -1.676) 38.008 8.002 ( -21.998 -10.710 7.430) 25.569 9.978 ( -4.109 9.293 -9.279) 13.760 11.421 ( -1.756 -4.943 -19.457) 20.151 11.975 ( 1.355 -3.401 1.539) 3.972 12.094 ( -32.005 -1.698 12.608) 34.441 12.714 ( 3.070 7.818 -12.904) 15.397 13.807 ( 4.247 -10.947 3.010) 12.122 14.491 ( -2.393 8.683 -3.583) 9.693 15.554 ( 11.507 0.371 2.729) 11.832 16.261 ( -6.985 7.755 2.443) 10.719 16.915 ( -25.242 -14.365 6.359) 29.731 17.681 ( 9.723 10.123 10.798) 17.709 19.373 ( 16.593 -6.219 -9.918) 20.306 ======================= Grid point 1421 (272/293) ======================= q-point: (-0.39 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.874 ( -2.142 0.889 9.243) 9.529 4.599 ( -31.086 16.908 -1.141) 35.405 7.464 ( -29.058 -9.840 3.920) 30.928 9.981 ( -5.257 7.213 -11.167) 14.296 11.264 ( -7.604 -9.556 -11.133) 16.525 11.443 ( -39.985 -0.849 10.403) 41.325 12.029 ( 5.409 -0.177 1.566) 5.634 12.804 ( 1.083 1.916 -12.740) 12.929 13.860 ( 11.094 -5.519 0.632) 12.407 14.507 ( -3.191 3.976 -0.581) 5.132 15.730 ( 8.890 -1.065 2.426) 9.276 16.224 ( -11.138 2.009 6.216) 12.913 16.269 ( -25.267 -8.899 1.557) 26.833 18.066 ( 17.835 15.138 8.197) 24.788 19.558 ( 13.535 -7.784 -8.079) 17.580 ======================= Grid point 1422 (273/293) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( -3.061 2.651 8.572) 9.480 4.197 ( -29.812 8.624 -0.615) 31.041 6.821 ( -36.111 -7.871 0.166) 36.959 9.927 ( -6.712 1.148 -5.555) 8.788 10.710 ( -42.146 1.386 3.479) 42.312 11.050 ( -9.482 -8.120 -4.449) 13.253 12.142 ( 6.680 1.654 2.512) 7.326 12.805 ( 1.406 -4.006 -8.140) 9.181 14.019 ( 7.444 -1.077 -3.265) 8.199 14.436 ( -6.134 -2.551 1.769) 6.875 15.641 ( -25.926 -2.330 3.401) 26.252 15.826 ( 3.347 -3.110 -0.704) 4.623 16.261 ( 1.039 4.294 0.897) 4.508 18.535 ( 19.478 13.706 7.553) 24.986 19.693 ( 11.570 -7.690 -5.878) 15.085 ======================= Grid point 1423 (274/293) ======================= q-point: (-0.28 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -24.563 4.418 2.864) 25.121 3.915 ( -3.865 2.924 4.286) 6.470 6.081 ( -43.114 -4.889 -2.589) 43.467 9.678 ( -18.506 -15.779 29.085) 37.913 10.142 ( -28.399 14.696 -32.790) 45.800 10.798 ( -12.845 -4.842 3.395) 14.141 12.275 ( 5.393 2.369 1.611) 6.106 12.808 ( 6.325 -7.471 -1.453) 9.896 13.799 ( -30.495 -3.782 -6.520) 31.413 14.449 ( 11.322 -0.089 -0.472) 11.332 15.393 ( -6.204 6.146 2.812) 9.174 15.812 ( -0.495 -4.485 -2.760) 5.289 16.346 ( 4.153 2.892 -0.603) 5.096 18.965 ( 16.872 9.092 6.382) 20.201 19.815 ( 11.010 -5.830 -3.062) 12.829 ======================= Grid point 1431 (275/293) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 4.441 -0.043 2.596) 5.145 4.302 ( 17.323 27.628 -2.692) 32.721 6.757 ( 20.237 31.619 -3.279) 37.683 9.809 ( -3.553 18.516 17.687) 25.851 10.838 ( 20.871 20.415 -12.615) 31.804 10.953 ( 9.374 15.150 -4.424) 18.356 12.169 ( -3.323 -7.593 1.304) 8.390 12.690 ( -5.718 4.081 4.619) 8.408 14.018 ( -2.281 -5.839 -5.395) 8.270 14.415 ( 4.938 6.211 -0.854) 7.980 15.649 ( 12.130 17.129 -0.248) 20.990 15.791 ( -0.527 -1.204 -1.081) 1.701 16.320 ( 0.857 -1.765 -1.923) 2.748 18.730 ( -5.548 -18.328 2.773) 19.349 19.553 ( -10.724 -8.813 0.066) 13.881 ======================= Grid point 1432 (276/293) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( 4.012 -0.943 -1.889) 4.534 4.862 ( 11.480 34.042 -1.881) 35.975 7.381 ( 21.310 22.893 -4.845) 31.649 9.922 ( -3.723 16.594 13.000) 21.406 10.985 ( 1.102 5.573 5.818) 8.131 11.646 ( 25.529 28.854 -15.454) 41.511 12.039 ( -2.529 -6.748 -0.713) 7.242 12.671 ( -4.241 7.882 9.150) 12.800 13.845 ( -2.617 -13.698 -8.234) 16.196 14.531 ( 0.336 5.966 3.232) 6.794 15.731 ( -2.038 -6.851 -1.073) 7.228 16.138 ( 19.726 21.085 -1.479) 28.911 16.356 ( 3.048 4.140 -3.620) 6.288 18.417 ( -12.118 -13.929 -1.872) 18.557 19.291 ( -7.297 -12.881 4.563) 15.492 ======================= Grid point 1433 (277/293) ======================= q-point: ( 0.28 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( 2.479 -1.485 -3.520) 4.554 5.335 ( 1.733 38.378 -0.376) 38.419 7.924 ( 20.653 13.865 -6.213) 25.639 10.001 ( -4.932 14.293 9.063) 17.628 11.060 ( 1.376 5.644 9.718) 11.322 11.937 ( 0.627 -5.067 -1.278) 5.263 12.290 ( 15.953 19.023 -12.361) 27.734 12.699 ( -3.313 13.938 7.058) 15.970 13.720 ( 4.025 -12.129 -9.074) 15.673 14.567 ( -4.150 9.001 5.431) 11.302 15.587 ( -4.879 -9.614 -1.229) 10.851 16.405 ( 1.316 8.011 -0.417) 8.129 16.754 ( 23.096 15.542 -4.018) 28.126 18.075 ( -13.384 -8.787 -6.385) 17.237 19.044 ( -4.954 -16.778 8.253) 19.343 ======================= Grid point 1434 (278/293) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.035 ( 0.222 -1.674 -2.293) 2.848 5.668 ( -8.299 40.464 0.422) 41.308 8.334 ( 16.104 4.294 -4.837) 17.354 10.040 ( -5.423 12.043 5.118) 14.165 11.145 ( 1.575 6.874 9.087) 11.502 11.928 ( 4.128 -5.446 -1.931) 7.102 12.487 ( -2.872 6.172 -1.351) 6.940 12.894 ( 4.297 15.025 -5.890) 16.700 13.774 ( 11.426 -3.723 -6.606) 13.713 14.565 ( -8.466 11.599 5.288) 15.303 15.399 ( -5.994 -8.066 -0.234) 10.053 16.503 ( -0.582 10.711 -0.618) 10.745 17.168 ( 8.144 6.314 0.641) 10.324 17.887 ( 2.710 -3.550 -10.622) 11.522 18.785 ( -4.773 -18.696 9.562) 21.534 ======================= Grid point 1435 (279/293) ======================= q-point: ( 0.39 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( -1.370 -1.153 0.810) 1.965 5.845 ( -17.292 39.602 0.046) 43.213 8.530 ( 6.658 -4.663 0.503) 8.144 10.066 ( -4.485 10.824 0.876) 11.750 11.255 ( 2.977 7.311 1.242) 7.991 11.946 ( 4.335 -6.828 -1.169) 8.172 12.477 ( -4.106 6.958 -3.900) 8.971 13.015 ( -0.752 3.932 -4.013) 5.669 13.962 ( 8.561 -0.773 -2.391) 8.922 14.506 ( -10.313 12.106 2.049) 16.035 15.266 ( -3.072 -1.599 0.968) 3.596 16.580 ( -4.493 12.317 0.327) 13.115 17.180 ( -4.621 1.724 0.818) 4.999 18.027 ( 9.348 -7.649 -1.138) 12.132 18.569 ( 3.296 -14.127 2.124) 14.661 ======================= Grid point 1436 (280/293) ======================= q-point: (-0.56 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -1.872 -0.192 4.192) 4.595 5.854 ( -24.994 35.311 -0.813) 43.269 8.473 ( -4.452 -9.714 5.575) 12.053 10.102 ( -3.444 9.936 -2.356) 10.777 11.371 ( 2.992 4.419 -9.511) 10.906 11.929 ( 2.346 -8.200 0.460) 8.541 12.507 ( -1.263 7.677 -6.859) 10.372 12.972 ( -8.016 3.802 -0.036) 8.872 13.903 ( -7.328 -10.870 3.219) 13.499 14.554 ( -1.504 15.744 -2.513) 16.014 15.267 ( 2.610 2.198 1.031) 3.564 16.566 ( -9.665 9.624 1.647) 13.739 17.186 ( 1.450 5.407 0.212) 5.603 17.851 ( -10.716 -16.072 13.329) 23.470 18.713 ( 20.111 -7.071 -9.295) 23.256 ======================= Grid point 1437 (281/293) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -1.906 0.759 6.334) 6.658 5.686 ( -31.029 27.609 -1.280) 41.554 8.214 ( -13.976 -9.755 6.152) 18.120 10.134 ( -3.622 8.402 -3.567) 9.820 11.407 ( -1.149 -2.234 -15.241) 15.447 11.889 ( 2.604 -6.337 1.861) 7.099 12.490 ( -11.605 2.087 -1.362) 11.869 12.879 ( -9.718 13.358 -5.253) 17.334 13.655 ( -2.870 -14.918 4.845) 15.945 14.649 ( -4.516 11.553 -2.863) 12.731 15.388 ( 8.719 1.590 1.134) 8.935 16.473 ( -9.615 6.446 2.165) 11.777 17.148 ( -14.555 -7.081 2.987) 16.459 17.641 ( 3.432 3.431 11.908) 12.858 18.985 ( 19.790 -8.706 -9.050) 23.438 ======================= Grid point 1438 (282/293) ======================= q-point: (-0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -1.956 1.705 6.415) 6.920 5.344 ( -34.932 17.543 -1.216) 39.109 7.823 ( -22.079 -6.594 3.172) 23.260 10.133 ( -4.914 5.441 -2.909) 7.888 11.284 ( -6.089 -8.242 -10.917) 14.973 11.919 ( 5.662 -2.023 0.407) 6.027 12.110 ( -33.128 3.033 3.479) 33.448 12.872 ( -5.837 6.545 -8.278) 12.060 13.602 ( 10.603 -8.335 1.370) 13.556 14.633 ( -6.305 5.206 -0.996) 8.237 15.564 ( 9.981 0.471 1.168) 10.060 16.381 ( -7.307 4.440 1.800) 8.738 16.663 ( -27.430 -9.504 4.441) 29.367 17.925 ( 15.162 12.842 7.727) 21.319 19.207 ( 17.088 -9.744 -7.144) 20.928 ======================= Grid point 1439 (283/293) ======================= q-point: (-0.39 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -1.827 2.921 4.692) 5.821 4.857 ( -36.033 7.632 -1.354) 36.857 7.336 ( -29.857 -2.485 -0.587) 29.966 10.054 ( -7.759 -1.083 2.066) 8.102 11.082 ( -7.452 -7.896 -3.129) 11.300 11.502 ( -41.287 6.141 -3.463) 41.885 12.026 ( 7.549 0.106 0.587) 7.573 12.792 ( -4.240 -3.668 -1.538) 5.813 13.796 ( 14.854 -0.298 -4.355) 15.482 14.551 ( -6.750 0.561 1.132) 6.867 15.716 ( 7.126 -0.202 0.484) 7.145 16.100 ( -29.448 -2.891 2.008) 29.657 16.323 ( -4.044 2.958 -0.466) 5.032 18.336 ( 18.279 10.727 5.762) 21.964 19.385 ( 14.680 -8.494 -4.183) 17.468 ======================= Grid point 1450 (284/293) ======================= q-point: ( 0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( 3.089 -0.360 1.825) 3.605 5.525 ( 18.205 32.166 -0.464) 36.963 7.779 ( 13.277 17.461 -2.099) 22.036 10.158 ( 0.333 7.587 4.405) 8.779 11.134 ( -1.624 9.399 -0.093) 9.539 11.902 ( -2.869 -5.769 -0.666) 6.477 12.195 ( 19.383 23.515 -6.773) 31.217 12.882 ( 0.774 14.055 4.496) 14.777 13.560 ( -2.875 -14.525 -7.819) 16.745 14.671 ( 2.551 8.024 2.346) 8.740 15.574 ( -4.301 -8.703 -0.208) 9.710 16.429 ( 4.356 6.921 1.276) 8.277 16.593 ( 15.463 20.887 -0.945) 26.005 18.115 ( -4.286 -16.533 2.529) 17.266 19.044 ( -12.913 -12.253 -0.840) 17.821 ======================= Grid point 1451 (285/293) ======================= q-point: ( 0.28 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 1.667 -0.863 1.027) 2.140 6.080 ( 6.734 36.371 0.858) 36.999 8.121 ( 12.901 6.023 -3.043) 14.559 10.211 ( -2.436 7.274 3.367) 8.378 11.212 ( -0.210 9.219 3.745) 9.953 11.826 ( 0.798 -5.750 -2.115) 6.178 12.556 ( 4.849 9.887 -5.117) 12.143 13.045 ( -4.244 16.152 3.477) 17.058 13.507 ( 12.866 -7.472 -9.699) 17.760 14.789 ( -1.623 13.195 3.674) 13.792 15.409 ( -4.525 -8.171 -0.082) 9.341 16.574 ( 3.528 9.144 0.343) 9.807 17.036 ( 15.129 13.234 0.005) 20.100 17.878 ( -6.189 -11.364 -2.090) 13.108 18.715 ( -9.040 -16.263 3.127) 18.867 ======================= Grid point 1452 (286/293) ======================= q-point: ( 0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 0.054 -0.916 2.109) 2.300 6.452 ( -6.738 38.379 1.236) 38.986 8.323 ( 10.204 -5.538 -1.182) 11.670 10.229 ( -3.480 7.335 0.649) 8.144 11.303 ( 0.582 8.394 3.101) 8.967 11.807 ( 3.501 -6.599 -2.004) 7.735 12.645 ( -3.948 10.015 -3.432) 11.299 13.047 ( -1.936 0.999 -3.586) 4.196 13.752 ( 14.121 -0.169 -4.618) 14.857 14.837 ( -9.987 15.715 3.249) 18.901 15.299 ( -1.615 -1.938 1.000) 2.714 16.723 ( 1.521 11.548 0.410) 11.655 17.269 ( -0.698 4.163 2.048) 4.692 17.776 ( 7.845 -7.972 -4.566) 12.081 18.427 ( -4.509 -16.991 4.113) 18.054 ======================= Grid point 1453 (287/293) ======================= q-point: ( 0.39 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( -0.878 -0.342 3.959) 4.070 6.592 ( -19.642 35.152 0.410) 40.269 8.361 ( 4.766 -12.084 2.650) 13.257 10.244 ( -3.109 7.119 -1.704) 7.953 11.390 ( 0.920 6.068 -2.794) 6.743 11.796 ( 3.294 -7.879 -0.329) 8.546 12.663 ( -5.541 11.169 -5.183) 13.503 13.036 ( 0.397 -0.541 -4.409) 4.460 13.860 ( 2.062 -9.069 0.444) 9.311 14.820 ( -9.180 18.403 0.967) 20.589 15.291 ( -1.199 2.613 1.350) 3.176 16.807 ( -6.332 10.043 1.188) 11.932 17.233 ( -1.816 4.069 0.868) 4.539 17.795 ( 0.168 -14.379 6.341) 15.716 18.335 ( 12.412 -9.938 -4.363) 16.489 ======================= Grid point 1455 (288/293) ======================= q-point: (-0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( -1.153 0.591 5.117) 5.279 6.468 ( -29.490 25.016 -0.291) 38.672 8.264 ( -2.892 -10.106 4.096) 11.281 10.258 ( -2.816 5.525 -1.813) 6.460 11.425 ( -1.875 0.748 -8.365) 8.605 11.773 ( 3.167 -6.424 1.167) 7.257 12.661 ( -6.439 6.594 -5.302) 10.632 13.072 ( 1.675 6.327 -6.027) 8.898 13.657 ( -11.517 -12.308 4.818) 17.531 14.876 ( -6.639 15.277 -0.747) 16.674 15.302 ( 2.160 0.153 1.040) 2.402 16.710 ( -11.382 4.914 1.683) 12.511 17.283 ( -4.501 2.283 0.798) 5.110 17.610 ( -0.377 -5.557 10.209) 11.629 18.551 ( 20.091 -8.717 -6.845) 22.945 ======================= Grid point 1456 (289/293) ======================= q-point: (-0.50 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( -1.232 1.652 4.470) 4.923 6.092 ( -35.065 11.400 -0.231) 36.872 8.070 ( -12.179 -3.323 1.666) 12.734 10.245 ( -3.666 2.301 0.265) 4.336 11.323 ( -6.570 -5.752 -6.294) 10.764 11.804 ( 5.168 -1.656 -0.357) 5.439 12.535 ( -14.089 2.197 -3.647) 14.719 13.169 ( -13.864 13.644 -6.549) 20.525 13.355 ( 4.119 -13.322 3.405) 14.354 14.825 ( -10.275 4.708 0.160) 11.304 15.404 ( 8.976 0.218 0.570) 8.997 16.563 ( -9.779 2.655 1.393) 10.229 17.006 ( -20.643 -4.133 2.896) 21.251 17.790 ( 13.201 8.203 5.878) 16.616 18.803 ( 19.174 -8.398 -4.918) 21.502 ======================= Grid point 1470 (290/293) ======================= q-point: ( 0.28 0.28 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 0.939 -0.248 4.044) 4.159 6.732 ( 15.846 28.915 1.081) 32.990 8.162 ( 1.440 -1.466 0.539) 2.124 10.307 ( 0.750 2.899 -0.502) 3.037 11.388 ( -0.382 7.683 -0.995) 7.756 11.722 ( -0.864 -4.549 -1.584) 4.893 12.733 ( 4.920 8.180 -4.953) 10.754 13.128 ( -6.971 -5.169 -3.471) 9.347 13.549 ( 10.553 8.733 -1.123) 13.743 15.052 ( 5.167 11.753 1.809) 12.965 15.280 ( -2.181 -4.145 0.876) 4.765 16.762 ( 6.162 9.878 1.055) 11.690 17.277 ( 6.217 11.034 2.288) 12.870 17.636 ( -1.579 -12.442 2.068) 12.712 18.414 ( -12.563 -14.126 -1.608) 18.973 ======================= Grid point 1471 (291/293) ======================= q-point: ( 0.33 0.28 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( 0.002 -0.275 4.641) 4.649 7.156 ( -3.844 32.669 1.520) 32.929 8.116 ( 4.721 -15.447 1.197) 16.196 10.335 ( -1.020 3.497 -2.320) 4.319 11.453 ( -0.446 6.660 -0.026) 6.675 11.679 ( 1.737 -6.254 -1.387) 6.638 12.862 ( -1.979 10.749 -5.173) 12.092 13.012 ( -1.249 -2.692 -4.419) 5.323 13.700 ( 5.642 -4.954 -0.840) 7.555 15.143 ( -7.714 13.513 2.015) 15.690 15.302 ( 3.725 1.281 1.654) 4.273 16.949 ( 2.220 10.924 1.119) 11.203 17.340 ( -6.541 3.193 2.255) 7.620 17.581 ( 8.167 -11.059 0.622) 13.762 18.144 ( -2.266 -11.024 -0.539) 11.267 ======================= Grid point 1472 (292/293) ======================= q-point: (-0.61 0.28 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 1458 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( -0.326 0.185 5.054) 5.068 7.163 ( -25.857 19.456 0.889) 32.372 8.102 ( 9.694 -11.128 2.386) 14.950 10.339 ( -2.032 2.344 -2.598) 4.046 11.481 ( -2.772 2.388 -2.648) 4.517 11.664 ( 3.440 -4.274 -0.004) 5.486 12.856 ( -7.958 6.483 -4.901) 11.375 13.030 ( 3.949 -0.149 -5.972) 7.161 13.681 ( -0.863 -6.273 1.151) 6.436 15.149 ( -7.015 13.136 1.296) 14.948 15.304 ( -2.937 -2.806 1.690) 4.400 16.947 ( -10.845 3.711 1.320) 11.538 17.357 ( 2.063 8.733 0.614) 8.994 17.528 ( 0.259 -11.530 5.287) 12.687 18.175 ( 13.784 -5.782 -3.109) 15.267 ======================= Grid point 1489 (293/293) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 3.43e-04 Number of triplets: 496 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( -0.000 -0.000 5.315) 5.315 7.721 ( -10.919 -21.838 1.671) 24.473 7.721 ( 10.919 21.838 1.671) 24.473 10.369 ( -0.000 -0.000 -3.302) 3.302 11.566 ( -2.263 -4.526 -0.724) 5.111 11.566 ( 2.263 4.526 -0.724) 5.111 12.985 ( -0.219 -0.437 -5.469) 5.491 12.985 ( 0.219 0.437 -5.469) 5.491 13.629 ( -0.000 0.000 0.514) 0.514 15.304 ( -1.172 -2.343 1.920) 3.248 15.304 ( 1.172 2.343 1.920) 3.248 17.090 ( -0.000 0.000 1.530) 1.530 17.406 ( -2.052 -4.104 1.543) 4.841 17.406 ( 2.052 4.104 1.543) 4.841 18.025 ( -0.000 -0.000 -1.045) 1.045 =================== 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 3/43740 10.0 1096.659 1096.659 676.892 -0.000 0.000 -0.000 3/43740 20.0 2067.255 2067.255 1622.690 -0.000 0.000 -0.000 3/43740 30.0 944.924 944.924 732.143 -0.000 0.000 -0.000 3/43740 40.0 538.897 538.897 389.926 -0.000 0.000 -0.000 3/43740 50.0 360.603 360.603 251.477 -0.000 0.000 -0.000 3/43740 60.0 259.200 259.200 175.468 -0.000 0.000 -0.000 3/43740 70.0 193.040 193.040 126.072 -0.000 0.000 -0.000 3/43740 80.0 147.260 147.260 91.940 -0.000 0.000 -0.000 3/43740 90.0 114.933 114.933 68.215 -0.000 0.000 -0.000 3/43740 100.0 91.835 91.835 51.808 -0.000 0.000 -0.000 3/43740 110.0 75.090 75.090 40.427 -0.000 0.000 -0.000 3/43740 120.0 62.726 62.726 32.430 -0.000 0.000 -0.000 3/43740 130.0 53.412 53.412 26.702 -0.000 0.000 -0.000 3/43740 140.0 46.252 46.252 22.508 -0.000 0.000 -0.000 3/43740 150.0 40.641 40.641 19.366 -0.000 0.000 -0.000 3/43740 160.0 36.163 36.163 16.961 -0.000 0.000 -0.000 3/43740 170.0 32.531 32.531 15.079 -0.000 0.000 -0.000 3/43740 180.0 29.540 29.540 13.579 -0.000 0.000 -0.000 3/43740 190.0 27.044 27.044 12.361 -0.000 0.000 -0.000 3/43740 200.0 24.934 24.934 11.356 -0.000 0.000 -0.000 3/43740 210.0 23.132 23.132 10.515 -0.000 0.000 -0.000 3/43740 220.0 21.576 21.576 9.801 -0.000 0.000 -0.000 3/43740 230.0 20.222 20.222 9.188 -0.000 0.000 -0.000 3/43740 240.0 19.032 19.032 8.655 -0.000 0.000 -0.000 3/43740 250.0 17.980 17.980 8.188 -0.000 0.000 -0.000 3/43740 260.0 17.042 17.042 7.775 -0.000 0.000 -0.000 3/43740 270.0 16.202 16.202 7.407 -0.000 0.000 -0.000 3/43740 280.0 15.445 15.445 7.076 -0.000 0.000 -0.000 3/43740 290.0 14.759 14.759 6.778 -0.000 0.000 -0.000 3/43740 300.0 14.135 14.135 6.506 -0.000 0.000 -0.000 3/43740 310.0 13.564 13.564 6.258 -0.000 0.000 -0.000 3/43740 320.0 13.040 13.040 6.031 -0.000 0.000 -0.000 3/43740 330.0 12.558 12.558 5.821 -0.000 0.000 -0.000 3/43740 340.0 12.111 12.111 5.627 -0.000 0.000 -0.000 3/43740 350.0 11.697 11.697 5.447 -0.000 0.000 -0.000 3/43740 360.0 11.312 11.312 5.279 -0.000 0.000 -0.000 3/43740 370.0 10.953 10.953 5.122 -0.000 0.000 -0.000 3/43740 380.0 10.618 10.618 4.974 -0.000 0.000 -0.000 3/43740 390.0 10.303 10.303 4.836 -0.000 0.000 -0.000 3/43740 400.0 10.007 10.007 4.706 -0.000 0.000 -0.000 3/43740 410.0 9.729 9.729 4.583 -0.000 0.000 -0.000 3/43740 420.0 9.467 9.467 4.467 -0.000 0.000 -0.000 3/43740 430.0 9.219 9.219 4.357 -0.000 0.000 -0.000 3/43740 440.0 8.984 8.984 4.253 -0.000 0.000 -0.000 3/43740 450.0 8.762 8.762 4.154 -0.000 0.000 -0.000 3/43740 460.0 8.551 8.551 4.059 -0.000 0.000 -0.000 3/43740 470.0 8.350 8.350 3.970 -0.000 0.000 -0.000 3/43740 480.0 8.159 8.159 3.884 -0.000 0.000 -0.000 3/43740 490.0 7.977 7.977 3.802 -0.000 0.000 -0.000 3/43740 500.0 7.803 7.803 3.723 -0.000 0.000 -0.000 3/43740 510.0 7.637 7.637 3.648 -0.000 0.000 -0.000 3/43740 520.0 7.478 7.478 3.576 -0.000 0.000 -0.000 3/43740 530.0 7.325 7.325 3.507 -0.000 0.000 -0.000 3/43740 540.0 7.179 7.179 3.440 -0.000 0.000 -0.000 3/43740 550.0 7.039 7.039 3.377 -0.000 0.000 -0.000 3/43740 560.0 6.905 6.905 3.315 -0.000 0.000 -0.000 3/43740 570.0 6.776 6.776 3.256 -0.000 0.000 -0.000 3/43740 580.0 6.651 6.651 3.199 -0.000 0.000 -0.000 3/43740 590.0 6.532 6.532 3.144 -0.000 0.000 -0.000 3/43740 600.0 6.416 6.416 3.091 -0.000 0.000 -0.000 3/43740 610.0 6.305 6.305 3.039 -0.000 0.000 -0.000 3/43740 620.0 6.198 6.198 2.990 -0.000 0.000 -0.000 3/43740 630.0 6.094 6.094 2.942 -0.000 0.000 -0.000 3/43740 640.0 5.994 5.994 2.896 -0.000 0.000 -0.000 3/43740 650.0 5.898 5.898 2.851 -0.000 0.000 -0.000 3/43740 660.0 5.804 5.804 2.807 -0.000 0.000 -0.000 3/43740 670.0 5.713 5.713 2.765 -0.000 0.000 -0.000 3/43740 680.0 5.626 5.626 2.724 -0.000 0.000 -0.000 3/43740 690.0 5.541 5.541 2.684 -0.000 0.000 -0.000 3/43740 700.0 5.458 5.458 2.646 -0.000 0.000 -0.000 3/43740 710.0 5.378 5.378 2.608 -0.000 0.000 -0.000 3/43740 720.0 5.301 5.301 2.572 -0.000 0.000 -0.000 3/43740 730.0 5.225 5.225 2.537 -0.000 0.000 -0.000 3/43740 740.0 5.152 5.152 2.502 -0.000 0.000 -0.000 3/43740 750.0 5.081 5.081 2.469 -0.000 0.000 -0.000 3/43740 760.0 5.012 5.012 2.436 -0.000 0.000 -0.000 3/43740 770.0 4.945 4.945 2.405 -0.000 0.000 -0.000 3/43740 780.0 4.879 4.879 2.374 -0.000 0.000 -0.000 3/43740 790.0 4.816 4.816 2.344 -0.000 0.000 -0.000 3/43740 800.0 4.754 4.754 2.314 -0.000 0.000 -0.000 3/43740 810.0 4.693 4.693 2.286 -0.000 0.000 -0.000 3/43740 820.0 4.634 4.634 2.258 -0.000 0.000 -0.000 3/43740 830.0 4.577 4.577 2.231 -0.000 0.000 -0.000 3/43740 840.0 4.521 4.521 2.204 -0.000 0.000 -0.000 3/43740 850.0 4.467 4.467 2.178 -0.000 0.000 -0.000 3/43740 860.0 4.413 4.413 2.153 -0.000 0.000 -0.000 3/43740 870.0 4.361 4.361 2.128 -0.000 0.000 -0.000 3/43740 880.0 4.311 4.311 2.104 -0.000 0.000 -0.000 3/43740 890.0 4.261 4.261 2.081 -0.000 0.000 -0.000 3/43740 900.0 4.213 4.213 2.057 -0.000 0.000 -0.000 3/43740 910.0 4.166 4.166 2.035 -0.000 0.000 -0.000 3/43740 920.0 4.119 4.119 2.013 -0.000 0.000 -0.000 3/43740 930.0 4.074 4.074 1.991 -0.000 0.000 -0.000 3/43740 940.0 4.030 4.030 1.970 -0.000 0.000 -0.000 3/43740 950.0 3.987 3.987 1.949 -0.000 0.000 -0.000 3/43740 960.0 3.944 3.944 1.929 -0.000 0.000 -0.000 3/43740 970.0 3.903 3.903 1.909 -0.000 0.000 -0.000 3/43740 980.0 3.862 3.862 1.890 -0.000 0.000 -0.000 3/43740 990.0 3.823 3.823 1.871 -0.000 0.000 -0.000 3/43740 1000.0 3.784 3.784 1.852 -0.000 0.000 -0.000 3/43740 Thermal conductivity related properties were written into "kappa-m18189.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:29:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|