----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:32:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 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 3.818701179419064 0.000000000000000 0.000000000000000 b -1.909350589709532 3.307092230838507 0.000000000000000 c 0.000000000000000 0.000000000000000 7.078047710000000 Atomic positions (fractional): *1 Er 0.66666666666667 0.33333333333333 0.19443219846559 167.259 2 Er 0.33333333333333 0.66666666666667 0.80556780153441 167.259 *3 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 *4 O 0.66666666666667 0.33333333333333 0.88016490975838 15.999 5 O 0.33333333333333 0.66666666666667 0.11983509024162 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.818701179419064 0.000000000000000 0.000000000000000 b -1.909350589709532 3.307092230838507 0.000000000000000 c 0.000000000000000 0.000000000000000 7.078047710000000 Atomic positions (fractional): *1 Er 0.66666666666667 0.33333333333333 0.19443219846559 167.259 > 1 2 Er 0.33333333333333 0.66666666666667 0.80556780153441 167.259 > 2 *3 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 3 *4 O 0.66666666666667 0.33333333333333 0.88016490975838 15.999 > 4 5 O 0.33333333333333 0.66666666666667 0.11983509024162 15.999 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.456103538257192 0.000000000000000 0.000000000000000 b -5.728051769128596 9.921276692515521 0.000000000000000 c 0.000000000000000 0.000000000000000 14.156095420000000 Atomic positions (fractional): *1 Er 0.22222222222222 0.11111111111111 0.09721609923280 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.09721609923280 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.09721609923280 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.09721609923280 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.09721609923280 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.09721609923280 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.09721609923280 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.09721609923280 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.09721609923280 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59721609923280 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.59721609923280 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.59721609923280 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.59721609923280 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.59721609923280 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.59721609923280 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.59721609923280 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.59721609923280 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.59721609923280 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.40278390076720 167.259 > 2 20 Er 0.44444444444444 0.22222222222222 0.40278390076720 167.259 > 2 21 Er 0.77777777777778 0.22222222222222 0.40278390076720 167.259 > 2 22 Er 0.11111111111111 0.55555555555556 0.40278390076720 167.259 > 2 23 Er 0.44444444444444 0.55555555555556 0.40278390076720 167.259 > 2 24 Er 0.77777777777778 0.55555555555556 0.40278390076720 167.259 > 2 25 Er 0.11111111111111 0.88888888888889 0.40278390076720 167.259 > 2 26 Er 0.44444444444444 0.88888888888889 0.40278390076720 167.259 > 2 27 Er 0.77777777777778 0.88888888888889 0.40278390076720 167.259 > 2 28 Er 0.11111111111111 0.22222222222222 0.90278390076720 167.259 > 2 29 Er 0.44444444444444 0.22222222222222 0.90278390076720 167.259 > 2 30 Er 0.77777777777778 0.22222222222222 0.90278390076720 167.259 > 2 31 Er 0.11111111111111 0.55555555555556 0.90278390076720 167.259 > 2 32 Er 0.44444444444444 0.55555555555556 0.90278390076720 167.259 > 2 33 Er 0.77777777777778 0.55555555555556 0.90278390076720 167.259 > 2 34 Er 0.11111111111111 0.88888888888889 0.90278390076720 167.259 > 2 35 Er 0.44444444444444 0.88888888888889 0.90278390076720 167.259 > 2 36 Er 0.77777777777778 0.88888888888889 0.90278390076720 167.259 > 2 *37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 3 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 3 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 3 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 3 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 3 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 3 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 3 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 3 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 3 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 3 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 3 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 3 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 3 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 3 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 3 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 3 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 3 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 3 *55 O 0.22222222222222 0.11111111111111 0.44008245487919 15.999 > 4 56 O 0.55555555555556 0.11111111111111 0.44008245487919 15.999 > 4 57 O 0.88888888888889 0.11111111111111 0.44008245487919 15.999 > 4 58 O 0.22222222222222 0.44444444444444 0.44008245487919 15.999 > 4 59 O 0.55555555555556 0.44444444444444 0.44008245487919 15.999 > 4 60 O 0.88888888888889 0.44444444444444 0.44008245487919 15.999 > 4 61 O 0.22222222222222 0.77777777777778 0.44008245487919 15.999 > 4 62 O 0.55555555555556 0.77777777777778 0.44008245487919 15.999 > 4 63 O 0.88888888888889 0.77777777777778 0.44008245487919 15.999 > 4 64 O 0.22222222222222 0.11111111111111 0.94008245487919 15.999 > 4 65 O 0.55555555555556 0.11111111111111 0.94008245487919 15.999 > 4 66 O 0.88888888888889 0.11111111111111 0.94008245487919 15.999 > 4 67 O 0.22222222222222 0.44444444444444 0.94008245487919 15.999 > 4 68 O 0.55555555555556 0.44444444444444 0.94008245487919 15.999 > 4 69 O 0.88888888888889 0.44444444444444 0.94008245487919 15.999 > 4 70 O 0.22222222222222 0.77777777777778 0.94008245487919 15.999 > 4 71 O 0.55555555555556 0.77777777777778 0.94008245487919 15.999 > 4 72 O 0.88888888888889 0.77777777777778 0.94008245487919 15.999 > 4 73 O 0.11111111111111 0.22222222222222 0.05991754512081 15.999 > 5 74 O 0.44444444444444 0.22222222222222 0.05991754512081 15.999 > 5 75 O 0.77777777777778 0.22222222222222 0.05991754512081 15.999 > 5 76 O 0.11111111111111 0.55555555555556 0.05991754512081 15.999 > 5 77 O 0.44444444444444 0.55555555555556 0.05991754512081 15.999 > 5 78 O 0.77777777777778 0.55555555555556 0.05991754512081 15.999 > 5 79 O 0.11111111111111 0.88888888888889 0.05991754512081 15.999 > 5 80 O 0.44444444444444 0.88888888888889 0.05991754512081 15.999 > 5 81 O 0.77777777777778 0.88888888888889 0.05991754512081 15.999 > 5 82 O 0.11111111111111 0.22222222222222 0.55991754512081 15.999 > 5 83 O 0.44444444444444 0.22222222222222 0.55991754512081 15.999 > 5 84 O 0.77777777777778 0.22222222222222 0.55991754512081 15.999 > 5 85 O 0.11111111111111 0.55555555555556 0.55991754512081 15.999 > 5 86 O 0.44444444444444 0.55555555555556 0.55991754512081 15.999 > 5 87 O 0.77777777777778 0.55555555555556 0.55991754512081 15.999 > 5 88 O 0.11111111111111 0.88888888888889 0.55991754512081 15.999 > 5 89 O 0.44444444444444 0.88888888888889 0.55991754512081 15.999 > 5 90 O 0.77777777777778 0.88888888888889 0.55991754512081 15.999 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4824883 -0.0000000 0.0000000 0.0000000 7.4824883 0.0000000 0.0000000 0.0000000 6.5433641 -------------------------- Born effective charges -------------------------- 1 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 2 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 3 Te -2.0499236 0.0000000 0.0000000 0.0000000 -2.0499236 0.0000000 0.0000000 0.0000000 -2.3652755 4 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 5 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 ---------------------------------------------------------------------------- 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: 200 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: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.115 --------------------------------- 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: 200 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 2026-01-08 23:32:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:32:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.818701179419064 0.000000000000000 0.000000000000000 b -1.909350589709532 3.307092230838507 0.000000000000000 c 0.000000000000000 0.000000000000000 7.078047710000000 Atomic positions (fractional): 1 Er 0.66666666666667 0.33333333333333 0.19443219846559 167.259 2 Er 0.33333333333333 0.66666666666667 0.80556780153441 167.259 3 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 4 O 0.66666666666667 0.33333333333333 0.88016490975838 15.999 5 O 0.33333333333333 0.66666666666667 0.11983509024162 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.456103538257192 0.000000000000000 0.000000000000000 b -5.728051769128596 9.921276692515521 0.000000000000000 c 0.000000000000000 0.000000000000000 14.156095420000000 Atomic positions (fractional): 1 Er 0.22222222222222 0.11111111111111 0.09721609923280 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.09721609923280 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.09721609923280 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.09721609923280 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.09721609923280 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.09721609923280 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.09721609923280 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.09721609923280 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.09721609923280 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59721609923280 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.59721609923280 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.59721609923280 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.59721609923280 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.59721609923280 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.59721609923280 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.59721609923280 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.59721609923280 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.59721609923280 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.40278390076720 167.259 > 19 20 Er 0.44444444444444 0.22222222222222 0.40278390076720 167.259 > 19 21 Er 0.77777777777778 0.22222222222222 0.40278390076720 167.259 > 19 22 Er 0.11111111111111 0.55555555555556 0.40278390076720 167.259 > 19 23 Er 0.44444444444444 0.55555555555556 0.40278390076720 167.259 > 19 24 Er 0.77777777777778 0.55555555555556 0.40278390076720 167.259 > 19 25 Er 0.11111111111111 0.88888888888889 0.40278390076720 167.259 > 19 26 Er 0.44444444444444 0.88888888888889 0.40278390076720 167.259 > 19 27 Er 0.77777777777778 0.88888888888889 0.40278390076720 167.259 > 19 28 Er 0.11111111111111 0.22222222222222 0.90278390076720 167.259 > 19 29 Er 0.44444444444444 0.22222222222222 0.90278390076720 167.259 > 19 30 Er 0.77777777777778 0.22222222222222 0.90278390076720 167.259 > 19 31 Er 0.11111111111111 0.55555555555556 0.90278390076720 167.259 > 19 32 Er 0.44444444444444 0.55555555555556 0.90278390076720 167.259 > 19 33 Er 0.77777777777778 0.55555555555556 0.90278390076720 167.259 > 19 34 Er 0.11111111111111 0.88888888888889 0.90278390076720 167.259 > 19 35 Er 0.44444444444444 0.88888888888889 0.90278390076720 167.259 > 19 36 Er 0.77777777777778 0.88888888888889 0.90278390076720 167.259 > 19 37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 37 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 37 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 37 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 37 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 37 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 37 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 37 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 37 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 37 55 O 0.22222222222222 0.11111111111111 0.44008245487919 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.44008245487919 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.44008245487919 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.44008245487919 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.44008245487919 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.44008245487919 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.44008245487919 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.44008245487919 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.44008245487919 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.94008245487919 15.999 > 55 65 O 0.55555555555556 0.11111111111111 0.94008245487919 15.999 > 55 66 O 0.88888888888889 0.11111111111111 0.94008245487919 15.999 > 55 67 O 0.22222222222222 0.44444444444444 0.94008245487919 15.999 > 55 68 O 0.55555555555556 0.44444444444444 0.94008245487919 15.999 > 55 69 O 0.88888888888889 0.44444444444444 0.94008245487919 15.999 > 55 70 O 0.22222222222222 0.77777777777778 0.94008245487919 15.999 > 55 71 O 0.55555555555556 0.77777777777778 0.94008245487919 15.999 > 55 72 O 0.88888888888889 0.77777777777778 0.94008245487919 15.999 > 55 73 O 0.11111111111111 0.22222222222222 0.05991754512081 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.05991754512081 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.05991754512081 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.05991754512081 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.05991754512081 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.05991754512081 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.05991754512081 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.05991754512081 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.05991754512081 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.55991754512081 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.55991754512081 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.55991754512081 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.55991754512081 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.55991754512081 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.55991754512081 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.55991754512081 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.55991754512081 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.55991754512081 15.999 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4824883 -0.0000000 0.0000000 0.0000000 7.4824883 0.0000000 0.0000000 0.0000000 6.5433641 -------------------------- Born effective charges -------------------------- 1 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 2 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 3 Te -2.0499236 0.0000000 0.0000000 0.0000000 -2.0499236 0.0000000 0.0000000 0.0000000 -2.3652755 4 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 5 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 ---------------------------------------------------------------------------- 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:32:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:32:56]------------------------- 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 3.818701179419064 0.000000000000000 0.000000000000000 b -1.909350589709532 3.307092230838507 0.000000000000000 c 0.000000000000000 0.000000000000000 7.078047710000000 Atomic positions (fractional): 1 Er 0.66666666666667 0.33333333333333 0.19443219846559 167.259 2 Er 0.33333333333333 0.66666666666667 0.80556780153441 167.259 3 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 4 O 0.66666666666667 0.33333333333333 0.88016490975838 15.999 5 O 0.33333333333333 0.66666666666667 0.11983509024162 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.456103538257192 0.000000000000000 0.000000000000000 b -5.728051769128596 9.921276692515521 0.000000000000000 c 0.000000000000000 0.000000000000000 14.156095420000000 Atomic positions (fractional): 1 Er 0.22222222222222 0.11111111111111 0.09721609923280 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.09721609923280 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.09721609923280 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.09721609923280 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.09721609923280 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.09721609923280 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.09721609923280 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.09721609923280 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.09721609923280 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59721609923280 167.259 > 1 11 Er 0.55555555555556 0.11111111111111 0.59721609923280 167.259 > 1 12 Er 0.88888888888889 0.11111111111111 0.59721609923280 167.259 > 1 13 Er 0.22222222222222 0.44444444444444 0.59721609923280 167.259 > 1 14 Er 0.55555555555556 0.44444444444444 0.59721609923280 167.259 > 1 15 Er 0.88888888888889 0.44444444444444 0.59721609923280 167.259 > 1 16 Er 0.22222222222222 0.77777777777778 0.59721609923280 167.259 > 1 17 Er 0.55555555555556 0.77777777777778 0.59721609923280 167.259 > 1 18 Er 0.88888888888889 0.77777777777778 0.59721609923280 167.259 > 1 19 Er 0.11111111111111 0.22222222222222 0.40278390076720 167.259 > 19 20 Er 0.44444444444444 0.22222222222222 0.40278390076720 167.259 > 19 21 Er 0.77777777777778 0.22222222222222 0.40278390076720 167.259 > 19 22 Er 0.11111111111111 0.55555555555556 0.40278390076720 167.259 > 19 23 Er 0.44444444444444 0.55555555555556 0.40278390076720 167.259 > 19 24 Er 0.77777777777778 0.55555555555556 0.40278390076720 167.259 > 19 25 Er 0.11111111111111 0.88888888888889 0.40278390076720 167.259 > 19 26 Er 0.44444444444444 0.88888888888889 0.40278390076720 167.259 > 19 27 Er 0.77777777777778 0.88888888888889 0.40278390076720 167.259 > 19 28 Er 0.11111111111111 0.22222222222222 0.90278390076720 167.259 > 19 29 Er 0.44444444444444 0.22222222222222 0.90278390076720 167.259 > 19 30 Er 0.77777777777778 0.22222222222222 0.90278390076720 167.259 > 19 31 Er 0.11111111111111 0.55555555555556 0.90278390076720 167.259 > 19 32 Er 0.44444444444444 0.55555555555556 0.90278390076720 167.259 > 19 33 Er 0.77777777777778 0.55555555555556 0.90278390076720 167.259 > 19 34 Er 0.11111111111111 0.88888888888889 0.90278390076720 167.259 > 19 35 Er 0.44444444444444 0.88888888888889 0.90278390076720 167.259 > 19 36 Er 0.77777777777778 0.88888888888889 0.90278390076720 167.259 > 19 37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 37 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 37 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 37 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 37 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 37 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 37 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 37 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 37 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 37 55 O 0.22222222222222 0.11111111111111 0.44008245487919 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.44008245487919 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.44008245487919 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.44008245487919 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.44008245487919 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.44008245487919 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.44008245487919 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.44008245487919 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.44008245487919 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.94008245487919 15.999 > 55 65 O 0.55555555555556 0.11111111111111 0.94008245487919 15.999 > 55 66 O 0.88888888888889 0.11111111111111 0.94008245487919 15.999 > 55 67 O 0.22222222222222 0.44444444444444 0.94008245487919 15.999 > 55 68 O 0.55555555555556 0.44444444444444 0.94008245487919 15.999 > 55 69 O 0.88888888888889 0.44444444444444 0.94008245487919 15.999 > 55 70 O 0.22222222222222 0.77777777777778 0.94008245487919 15.999 > 55 71 O 0.55555555555556 0.77777777777778 0.94008245487919 15.999 > 55 72 O 0.88888888888889 0.77777777777778 0.94008245487919 15.999 > 55 73 O 0.11111111111111 0.22222222222222 0.05991754512081 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.05991754512081 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.05991754512081 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.05991754512081 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.05991754512081 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.05991754512081 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.05991754512081 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.05991754512081 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.05991754512081 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.55991754512081 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.55991754512081 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.55991754512081 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.55991754512081 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.55991754512081 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.55991754512081 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.55991754512081 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.55991754512081 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.55991754512081 15.999 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4824883 -0.0000000 0.0000000 0.0000000 7.4824883 0.0000000 0.0000000 0.0000000 6.5433641 -------------------------- Born effective charges -------------------------- 1 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 2 Er 3.6100286 -0.0000000 0.0000000 0.0000000 3.6100286 0.0000000 0.0000000 0.0000000 4.5129005 3 Te -2.0499236 0.0000000 0.0000000 0.0000000 -2.0499236 0.0000000 0.0000000 0.0000000 -2.3652755 4 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 5 O -2.5850668 0.0000000 0.0000000 0.0000000 -2.5850668 0.0000000 0.0000000 0.0000000 -3.3302627 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (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 ... [ 15 15 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 313, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 9.958 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 13.861 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 18.316 10.575 4.147) 21.552 0.590 ( 24.989 14.427 2.754) 28.986 0.907 ( 38.547 22.255 -3.962) 44.686 3.029 ( -0.671 -0.387 -8.757) 8.791 3.117 ( 6.269 3.620 4.030) 8.285 3.216 ( 3.481 2.010 7.366) 8.392 3.548 ( 3.988 2.303 -2.389) 5.188 4.452 ( -1.714 -0.989 -0.796) 2.133 5.649 ( -3.995 -2.306 -0.103) 4.614 9.932 ( -2.331 -1.346 -2.020) 3.365 11.805 ( -20.906 -12.070 19.852) 31.254 12.225 ( -0.351 -0.203 1.730) 1.777 12.647 ( -1.579 -0.912 -127.831) 127.844 12.898 ( 13.604 7.854 106.286) 107.440 13.951 ( 7.106 4.103 0.971) 8.262 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 18.784 10.845 4.323) 22.117 1.156 ( 23.545 13.594 2.482) 27.301 1.785 ( 36.655 21.163 -4.334) 42.547 3.015 ( -0.495 -0.286 -11.238) 11.253 3.300 ( 8.518 4.918 9.243) 13.497 3.323 ( 5.623 3.246 8.448) 10.655 3.679 ( 7.059 4.075 -6.599) 10.487 4.402 ( -2.246 -1.297 -1.250) 2.879 5.523 ( -6.459 -3.729 -0.701) 7.491 9.841 ( -5.647 -3.260 -3.375) 7.342 11.347 ( -18.014 -10.400 8.378) 22.424 12.221 ( 0.206 0.119 2.891) 2.900 12.461 ( -10.915 -6.302 -44.352) 46.108 13.273 ( 15.290 8.828 30.381) 35.139 14.162 ( 10.461 6.040 4.405) 12.858 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 18.855 10.886 4.999) 22.338 1.681 ( 21.423 12.369 2.420) 24.856 2.602 ( 33.300 19.226 -4.595) 38.725 3.006 ( -0.289 -0.167 -11.978) 11.982 3.465 ( 4.933 2.848 13.989) 15.104 3.470 ( 6.824 3.940 7.700) 11.018 3.857 ( 7.216 4.166 -12.196) 14.771 4.376 ( 1.098 0.634 -0.538) 1.378 5.368 ( -6.427 -3.710 -1.733) 7.620 9.662 ( -9.825 -5.673 -3.654) 11.919 10.978 ( -13.547 -7.821 1.827) 15.749 12.182 ( -12.773 -7.374 -23.846) 28.039 12.243 ( 1.740 1.005 3.114) 3.706 13.577 ( 10.835 6.256 12.540) 17.714 14.417 ( 11.127 6.424 8.205) 15.245 ======================= Grid point 4 (5/165) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 17.950 10.363 6.331) 21.672 2.150 ( 18.793 10.850 3.127) 21.925 3.000 ( -0.348 -0.201 -12.412) 12.419 3.318 ( 27.569 15.917 -5.447) 32.297 3.525 ( 0.750 0.433 15.623) 15.647 3.633 ( 7.019 4.052 6.477) 10.375 3.951 ( 0.473 0.273 -14.558) 14.568 4.498 ( 9.161 5.289 -0.285) 10.582 5.242 ( -4.147 -2.395 -2.448) 5.378 9.389 ( -13.283 -7.669 -3.040) 15.637 10.718 ( -8.823 -5.094 -2.024) 10.387 11.875 ( -13.436 -7.757 -14.100) 20.965 12.302 ( 3.285 1.897 2.547) 4.569 13.783 ( 7.057 4.074 4.499) 9.308 14.663 ( 9.737 5.622 10.573) 15.434 ======================= Grid point 5 (6/165) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 15.795 9.119 8.157) 19.980 2.550 ( 15.493 8.945 5.148) 18.616 2.986 ( -0.969 -0.560 -12.765) 12.814 3.491 ( -1.944 -1.122 8.301) 8.599 3.789 ( 6.161 3.557 5.006) 8.699 3.891 ( 16.285 9.402 -2.907) 19.028 3.917 ( 1.081 0.624 -10.777) 10.849 4.747 ( 11.124 6.422 -1.923) 12.987 5.180 ( -1.193 -0.689 -2.088) 2.501 9.065 ( -14.021 -8.095 -2.108) 16.326 10.565 ( -4.343 -2.508 -3.988) 6.408 11.564 ( -13.079 -7.551 -7.589) 16.902 12.387 ( 3.790 2.188 1.692) 4.692 13.914 ( 4.333 2.502 0.358) 5.016 14.861 ( 7.143 4.124 10.515) 13.364 ======================= Grid point 6 (7/165) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 12.527 7.232 10.060) 17.619 2.860 ( 10.743 6.202 7.927) 14.721 2.948 ( -2.499 -1.443 -12.888) 13.207 3.446 ( -1.515 -0.875 1.583) 2.359 3.831 ( -3.587 -2.071 -8.874) 9.793 3.912 ( 4.285 2.474 3.241) 5.915 4.264 ( 11.163 6.445 -0.292) 12.893 4.983 ( 8.623 4.978 -2.712) 10.319 5.179 ( 0.806 0.466 -0.801) 1.228 8.767 ( -10.860 -6.270 -1.226) 12.600 10.511 ( -0.506 -0.292 -4.204) 4.244 11.280 ( -10.879 -6.281 -2.850) 12.881 12.468 ( 2.949 1.702 0.914) 3.525 13.990 ( 2.321 1.340 -1.092) 2.894 14.994 ( 4.216 2.434 7.763) 9.164 ======================= Grid point 7 (8/165) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 8.609 4.970 11.436) 15.152 2.861 ( -5.046 -2.913 -12.382) 13.685 3.032 ( 3.742 2.160 5.378) 6.898 3.432 ( 0.147 0.085 -2.128) 2.134 3.760 ( -2.017 -1.165 -3.046) 3.835 3.981 ( 1.550 0.895 1.136) 2.120 4.426 ( 3.198 1.847 -0.021) 3.693 5.127 ( 3.335 1.925 -1.531) 4.144 5.201 ( 0.689 0.398 0.191) 0.818 8.587 ( -4.118 -2.378 -0.408) 4.773 10.523 ( 0.876 0.506 -2.061) 2.295 11.087 ( -4.873 -2.813 -0.314) 5.635 12.517 ( 1.103 0.637 0.284) 1.305 14.025 ( 0.725 0.419 -0.609) 1.035 15.058 ( 1.378 0.795 2.863) 3.275 ======================= Grid point 16 (9/165) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 10.940 18.949 0.000) 21.880 1.016 ( 14.027 24.296 0.000) 28.054 1.548 ( 21.293 36.881 0.000) 42.586 3.074 ( 1.094 1.895 0.000) 2.188 3.121 ( 1.201 2.080 0.000) 2.402 3.374 ( 6.070 10.514 0.000) 12.140 3.624 ( 2.972 5.148 0.000) 5.945 4.415 ( -1.382 -2.394 0.000) 2.764 5.562 ( -3.477 -6.023 0.000) 6.955 9.877 ( -2.464 -4.269 0.000) 4.929 11.496 ( -10.477 -18.147 0.000) 20.954 12.047 ( -4.955 -8.583 0.000) 9.911 12.735 ( -1.888 -3.270 0.000) 3.776 13.107 ( 10.114 17.518 0.000) 20.228 14.093 ( 5.334 9.238 0.000) 10.667 ======================= Grid point 17 (10/165) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 14.262 17.205 2.445) 22.481 1.511 ( 16.417 20.203 1.425) 26.071 2.307 ( 26.444 28.889 -2.506) 39.245 3.068 ( -3.695 5.086 -11.383) 13.004 3.242 ( 10.168 -2.545 10.783) 15.038 3.575 ( 1.830 13.121 8.315) 15.642 3.760 ( 7.560 3.802 -8.449) 11.958 4.372 ( -0.676 -1.185 -0.530) 1.464 5.422 ( -5.105 -5.925 -0.731) 7.855 9.749 ( -6.480 -6.076 -1.987) 9.102 11.130 ( -13.294 -11.162 2.577) 17.549 11.906 ( 2.714 -17.706 -5.936) 18.870 12.606 ( -11.928 6.367 -10.037) 16.840 13.464 ( 11.913 11.603 10.650) 19.748 14.301 ( 8.611 7.232 3.749) 11.854 ======================= Grid point 18 (11/165) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 14.932 15.832 4.162) 22.157 1.984 ( 15.994 16.955 2.169) 23.409 2.990 ( 14.891 12.673 -5.526) 20.320 3.094 ( 7.791 13.912 -10.454) 19.066 3.388 ( 9.017 -2.750 12.109) 15.346 3.693 ( -0.899 10.213 10.737) 14.846 3.916 ( 4.783 1.581 -13.868) 14.754 4.413 ( 5.357 3.349 0.031) 6.318 5.283 ( -4.360 -4.387 -1.689) 6.412 9.526 ( -10.892 -7.986 -2.460) 13.728 10.828 ( -10.513 -7.036 -0.436) 12.658 11.754 ( 1.834 -21.113 -8.038) 22.666 12.495 ( -9.690 10.133 -3.237) 14.389 13.737 ( 6.813 9.998 5.108) 13.133 14.527 ( 10.372 4.069 7.803) 13.603 ======================= Grid point 19 (12/165) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 14.047 13.921 6.092) 20.693 2.405 ( 14.199 14.078 3.468) 20.293 3.030 ( -2.671 2.875 -11.652) 12.295 3.454 ( 4.205 -2.736 7.299) 8.857 3.670 ( 20.538 16.309 1.071) 26.247 3.784 ( 1.439 8.153 7.202) 10.973 3.940 ( -1.344 -0.760 -13.683) 13.770 4.615 ( 10.746 6.090 -1.170) 12.407 5.193 ( -2.009 -2.370 -1.966) 3.677 9.221 ( -13.488 -9.085 -1.997) 16.385 10.624 ( -6.391 -4.342 -3.012) 8.293 11.541 ( -2.232 -20.009 -6.893) 21.280 12.476 ( -4.597 10.229 0.317) 11.219 13.910 ( 2.593 8.428 0.486) 8.831 14.734 ( 10.020 1.250 9.998) 14.210 ======================= Grid point 20 (13/165) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 11.888 11.243 8.258) 18.328 2.754 ( 10.968 10.936 5.460) 16.423 2.999 ( -3.420 1.357 -11.342) 11.924 3.460 ( -0.193 -0.694 4.764) 4.818 3.864 ( -1.128 -0.283 -4.442) 4.592 3.913 ( 0.067 5.689 -1.352) 5.848 4.119 ( 14.330 9.839 -0.585) 17.392 4.864 ( 10.471 4.954 -2.738) 11.904 5.164 ( 0.451 -0.942 -1.046) 1.478 8.899 ( -12.460 -8.375 -1.301) 15.070 10.516 ( -2.030 -2.486 -4.232) 5.312 11.291 ( -4.367 -17.175 -3.642) 18.092 12.521 ( -1.941 9.145 0.945) 9.397 14.006 ( 0.157 6.324 -1.681) 6.545 14.895 ( 7.960 -0.741 9.114) 12.124 ======================= Grid point 21 (14/165) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 8.906 8.097 10.278) 15.827 2.926 ( -4.218 -0.634 -12.664) 13.363 2.998 ( 4.919 6.753 7.789) 11.423 3.461 ( -0.809 3.268 -0.936) 3.495 3.797 ( -3.490 -1.293 -5.816) 6.904 3.993 ( 0.642 5.398 2.145) 5.844 4.366 ( 6.592 3.427 -0.011) 7.430 5.058 ( 6.920 2.347 -2.975) 7.890 5.178 ( 1.579 -0.681 0.489) 1.788 8.649 ( -7.354 -5.450 -0.644) 9.176 10.495 ( 1.391 -1.478 -3.521) 4.064 11.067 ( -2.589 -13.494 -0.714) 13.759 12.575 ( -2.172 8.021 0.590) 8.331 14.050 ( -1.019 4.314 -1.528) 4.688 14.994 ( 5.121 -2.234 5.380) 7.756 ======================= Grid point 22 (15/165) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -1.005 1.740 0.000) 2.009 2.818 ( -0.647 1.120 -0.000) 1.293 3.078 ( -1.377 2.385 0.000) 2.755 3.480 ( -2.666 4.617 -0.000) 5.331 3.751 ( -0.180 0.311 -0.000) 0.359 4.028 ( -2.094 3.626 0.000) 4.187 4.437 ( 0.456 -0.789 0.000) 0.912 5.133 ( 0.739 -1.280 -0.000) 1.478 5.190 ( 0.832 -1.440 0.000) 1.663 8.554 ( 0.532 -0.921 0.000) 1.064 10.507 ( 1.195 -2.071 -0.000) 2.391 10.968 ( 4.787 -8.291 0.000) 9.574 12.598 ( -3.943 6.830 -0.000) 7.887 14.062 ( -1.842 3.190 0.000) 3.684 15.028 ( 2.172 -3.762 -0.000) 4.344 ======================= Grid point 33 (16/165) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 11.174 19.353 0.000) 22.347 1.931 ( 12.067 20.901 0.000) 24.135 2.890 ( 15.488 26.825 0.000) 30.975 3.194 ( 3.047 5.277 0.000) 6.093 3.223 ( 1.895 3.283 0.000) 3.791 3.803 ( 4.110 7.119 0.000) 8.220 3.833 ( 2.750 4.764 0.000) 5.501 4.382 ( 1.797 3.112 0.000) 3.593 5.300 ( -3.345 -5.794 0.000) 6.690 9.585 ( -5.997 -10.388 0.000) 11.995 10.901 ( -6.475 -11.214 0.000) 12.949 11.600 ( -7.439 -12.884 0.000) 14.877 12.651 ( -0.231 -0.401 0.000) 0.463 13.731 ( 7.871 13.632 0.000) 15.741 14.443 ( 3.913 6.777 0.000) 7.826 ======================= Grid point 34 (17/165) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 11.754 17.103 2.219) 20.871 2.339 ( 11.988 17.874 1.306) 21.561 3.122 ( -2.763 4.097 -7.357) 8.863 3.331 ( 6.918 0.978 4.459) 8.288 3.530 ( 16.230 20.552 1.301) 26.220 3.861 ( -1.033 5.326 9.281) 10.750 3.938 ( 2.442 2.182 -11.395) 11.856 4.516 ( 7.264 6.695 -0.354) 9.885 5.201 ( -2.353 -3.599 -0.803) 4.374 9.331 ( -10.212 -11.420 -0.800) 15.341 10.692 ( -6.853 -6.521 -1.126) 9.526 11.365 ( -2.646 -17.458 -2.549) 17.841 12.640 ( -2.952 5.014 -0.469) 5.837 13.972 ( 3.840 12.693 -0.548) 13.273 14.578 ( 7.167 1.103 5.014) 8.815 ======================= Grid point 35 (18/165) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 10.617 13.967 4.626) 18.144 2.700 ( 10.167 14.789 2.603) 18.135 3.084 ( -4.134 1.420 -7.837) 8.974 3.431 ( 3.517 1.469 4.860) 6.176 3.881 ( -0.478 0.692 -0.443) 0.950 3.976 ( 9.361 11.427 0.288) 14.774 3.999 ( 4.090 9.539 -3.429) 10.931 4.733 ( 9.705 5.388 -2.019) 11.282 5.149 ( -0.467 -1.971 -0.674) 2.135 9.018 ( -11.850 -11.070 -0.732) 16.233 10.540 ( -4.354 -4.042 -3.052) 6.679 11.144 ( -1.737 -18.740 -2.134) 18.941 12.661 ( -2.301 8.256 0.501) 8.585 14.110 ( -1.579 10.962 -3.362) 11.574 14.716 ( 9.485 -2.871 8.220) 12.875 ======================= Grid point 36 (19/165) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 8.449 10.195 7.224) 15.083 2.969 ( 3.907 8.299 -4.511) 10.222 3.020 ( -2.243 1.819 0.602) 2.950 3.504 ( 1.332 5.557 1.319) 5.864 3.849 ( -3.037 -0.304 -5.677) 6.446 4.067 ( -0.639 8.766 2.193) 9.058 4.278 ( 8.264 5.638 0.112) 10.005 4.940 ( 8.898 2.556 -3.730) 9.981 5.140 ( 1.213 -1.473 0.825) 2.079 8.726 ( -9.281 -8.742 -0.443) 12.758 10.462 ( -0.578 -2.952 -3.913) 4.936 10.934 ( -1.050 -17.297 -0.288) 17.331 12.715 ( -2.351 9.733 0.771) 10.042 14.153 ( -3.799 7.848 -3.488) 9.391 14.839 ( 8.489 -4.511 6.919) 11.844 ======================= Grid point 37 (20/165) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 6.064 6.632 9.379) 12.989 2.904 ( -5.829 -1.532 -10.405) 12.024 3.128 ( 0.551 5.925 3.360) 6.834 3.592 ( -0.801 9.337 0.284) 9.375 3.781 ( -3.589 -0.274 -3.236) 4.841 4.125 ( -2.521 7.579 1.047) 8.055 4.400 ( 3.094 -0.026 0.174) 3.099 5.075 ( 4.799 -0.575 -3.227) 5.812 5.148 ( 1.512 -2.350 2.022) 3.449 8.547 ( -2.806 -4.597 -0.150) 5.388 10.450 ( 1.979 -2.851 -2.184) 4.101 10.784 ( 2.753 -13.709 0.604) 13.995 12.760 ( -4.102 9.683 0.346) 10.522 14.154 ( -3.555 5.817 -1.392) 6.957 14.911 ( 5.515 -5.816 2.601) 8.426 ======================= Grid point 49 (21/165) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 8.944 15.491 0.000) 17.888 2.688 ( 9.450 16.368 0.000) 18.900 3.138 ( -1.290 -2.235 0.000) 2.580 3.398 ( 3.217 5.572 0.000) 6.434 3.889 ( -0.091 -0.158 0.000) 0.182 3.925 ( 10.063 17.429 0.000) 20.125 4.043 ( 3.649 6.320 0.000) 7.297 4.668 ( 4.609 7.983 0.000) 9.218 5.143 ( -1.250 -2.165 0.000) 2.500 9.069 ( -8.193 -14.191 0.000) 16.387 10.566 ( -3.440 -5.958 0.000) 6.880 11.049 ( -8.037 -13.920 0.000) 16.074 12.728 ( 2.454 4.250 0.000) 4.908 14.212 ( 5.786 10.022 0.000) 11.572 14.585 ( 0.145 0.252 0.000) 0.290 ======================= Grid point 50 (22/165) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 7.508 11.434 2.590) 13.922 2.981 ( 6.674 12.475 -0.794) 14.171 3.068 ( -3.060 -2.523 -0.817) 4.049 3.524 ( 3.589 7.148 0.902) 8.049 3.885 ( -0.758 0.689 -2.139) 2.372 4.163 ( 1.265 8.977 0.861) 9.106 4.209 ( 7.045 8.287 0.275) 10.880 4.827 ( 6.574 3.895 -1.956) 7.888 5.113 ( -0.048 -1.565 0.395) 1.615 8.782 ( -8.744 -11.937 -0.115) 14.797 10.460 ( -2.747 -3.865 -2.059) 5.169 10.800 ( -3.752 -15.153 0.270) 15.613 12.819 ( 1.081 7.567 0.402) 7.654 14.329 ( -4.573 10.209 -4.799) 12.172 14.628 ( 8.373 -5.482 6.110) 11.726 ======================= Grid point 51 (23/165) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 5.601 7.317 5.247) 10.604 2.975 ( -4.154 -2.082 -6.595) 8.068 3.172 ( 2.512 7.690 3.038) 8.641 3.665 ( 2.946 9.031 1.026) 9.555 3.866 ( -3.725 2.551 -3.403) 5.653 4.256 ( -1.679 9.699 0.904) 9.884 4.341 ( 3.412 0.675 0.953) 3.606 4.966 ( 6.621 0.151 -3.784) 7.628 5.102 ( 0.707 -2.472 2.070) 3.301 8.554 ( -5.071 -7.931 -0.059) 9.414 10.400 ( -0.023 -3.043 -3.033) 4.297 10.618 ( -0.144 -13.594 1.508) 13.678 12.906 ( -1.151 8.982 0.473) 9.068 14.305 ( -6.363 6.905 -3.397) 9.985 14.726 ( 8.318 -6.277 4.335) 11.286 ======================= Grid point 52 (24/165) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -0.434 0.751 0.000) 0.868 2.882 ( -1.093 1.893 -0.000) 2.186 3.231 ( -2.400 4.156 -0.000) 4.799 3.781 ( -0.679 1.176 0.000) 1.358 3.807 ( -5.814 10.071 -0.000) 11.629 4.292 ( -4.958 8.588 -0.000) 9.917 4.369 ( 1.607 -2.784 0.000) 3.214 5.038 ( 1.806 -3.128 -0.000) 3.612 5.086 ( 1.919 -3.324 0.000) 3.839 8.467 ( 1.868 -3.235 0.000) 3.735 10.389 ( 1.677 -2.905 -0.000) 3.354 10.542 ( 5.675 -9.830 0.000) 11.351 12.944 ( -4.638 8.033 -0.000) 9.276 14.280 ( -3.862 6.690 0.000) 7.725 14.769 ( 4.598 -7.964 0.000) 9.196 ======================= Grid point 66 (25/165) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 4.607 7.979 0.000) 9.214 3.002 ( -2.002 -3.467 0.000) 4.003 3.189 ( 4.406 7.632 0.000) 8.812 3.683 ( 4.406 7.631 0.000) 8.812 3.918 ( 1.546 2.678 0.000) 3.092 4.305 ( 1.453 2.516 0.000) 2.906 4.339 ( 3.882 6.723 0.000) 7.763 4.895 ( 1.822 3.157 0.000) 3.645 5.082 ( -1.004 -1.739 0.000) 2.009 8.560 ( -5.505 -9.536 0.000) 11.011 10.389 ( -1.733 -3.001 0.000) 3.466 10.543 ( -5.818 -10.076 0.000) 11.635 12.964 ( 3.739 6.477 0.000) 7.479 14.503 ( 2.249 3.895 0.000) 4.497 14.514 ( -1.456 -2.521 0.000) 2.912 ======================= Grid point 67 (26/165) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 3.066 4.082 2.158) 5.543 2.933 ( -2.726 -1.836 -2.284) 4.002 3.289 ( 0.516 3.882 0.359) 3.932 3.792 ( 1.339 3.002 0.266) 3.298 3.987 ( -1.628 9.183 -0.721) 9.354 4.303 ( 0.935 -4.246 0.010) 4.348 4.443 ( -1.311 7.898 0.613) 8.030 4.960 ( 3.675 -0.316 -1.727) 4.073 5.038 ( -0.696 -3.653 1.257) 3.925 8.422 ( -1.436 -4.841 0.000) 5.049 10.347 ( 0.017 -2.021 -1.660) 2.615 10.402 ( 0.019 -7.497 1.442) 7.634 13.062 ( -0.249 5.956 0.098) 5.962 14.424 ( -5.669 4.801 -1.468) 7.572 14.603 ( 6.090 -5.608 1.560) 8.425 ======================= Grid point 82 (27/165) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -0.895 -1.550 0.000) 1.790 2.899 ( 0.895 1.550 0.000) 1.790 3.328 ( -0.000 -0.000 0.000) 0.000 3.818 ( -0.000 -0.000 0.000) 0.000 4.174 ( -4.148 -7.185 0.000) 8.297 4.174 ( 4.148 7.185 0.000) 8.297 4.533 ( -0.000 -0.000 0.000) 0.000 4.974 ( -1.050 -1.819 0.000) 2.101 4.974 ( 1.050 1.819 0.000) 2.101 8.371 ( -0.000 -0.000 0.000) 0.000 10.325 ( -0.005 -0.009 0.000) 0.011 10.325 ( 0.005 0.009 0.000) 0.011 13.125 ( -0.000 -0.000 0.000) 0.000 14.508 ( -1.995 -3.455 0.000) 3.989 14.508 ( 1.995 3.455 0.000) 3.989 ======================= Grid point 241 (28/165) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.000 0.000 27.989) 27.989 0.575 ( 0.000 -0.000 27.989) 27.989 0.962 ( -0.000 0.000 47.153) 47.153 2.837 ( 0.000 0.000 -14.070) 14.070 2.837 ( 0.000 -0.000 -14.070) 14.070 3.307 ( 0.000 0.000 7.360) 7.360 3.307 ( 0.000 -0.000 7.360) 7.360 5.008 ( 0.000 0.000 -25.345) 25.345 5.912 ( -0.000 0.000 12.810) 12.810 10.011 ( 0.000 0.000 5.080) 5.080 10.011 ( 0.000 -0.000 5.080) 5.080 12.184 ( 0.000 0.000 -4.397) 4.397 12.184 ( 0.000 -0.000 -4.397) 4.397 13.868 ( -0.000 -0.000 0.630) 0.630 16.502 ( -0.000 0.000 1.901) 1.901 ======================= Grid point 242 (29/165) ======================= q-point: ( 0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 16.484 9.517 15.530) 24.566 0.762 ( 12.149 7.014 23.596) 27.451 1.337 ( 25.088 14.485 34.026) 44.687 2.780 ( -1.683 -0.972 -14.485) 14.614 3.023 ( 10.670 6.160 -13.958) 18.618 3.370 ( 3.417 1.973 6.574) 7.667 3.406 ( 7.891 4.556 1.550) 9.243 4.713 ( -16.502 -9.528 -0.882) 19.075 5.649 ( -10.322 -5.960 5.948) 13.321 9.944 ( -4.118 -2.377 3.175) 5.718 10.811 ( 37.077 21.406 -33.065) 54.094 12.043 ( -12.003 -6.930 -4.537) 14.584 12.214 ( 1.157 0.668 -2.775) 3.080 13.927 ( 4.243 2.450 1.827) 5.229 15.178 ( -56.852 -32.824 71.284) 96.907 ======================= Grid point 243 (30/165) ======================= q-point: ( 0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 16.071 9.278 17.907) 25.788 1.190 ( 22.463 12.969 3.801) 26.215 1.985 ( 29.418 16.985 20.596) 39.726 2.754 ( -0.678 -0.392 -14.353) 14.374 3.293 ( 11.911 6.877 -12.425) 18.535 3.467 ( 4.801 2.772 5.487) 7.800 3.591 ( 7.381 4.262 2.727) 8.949 4.441 ( -7.006 -4.045 0.710) 8.121 5.455 ( -7.593 -4.384 -3.909) 9.600 9.817 ( -6.906 -3.987 1.088) 8.049 11.294 ( 3.005 1.735 -14.571) 14.978 11.693 ( -12.407 -7.163 -17.027) 22.252 12.241 ( 1.283 0.741 -1.016) 1.797 13.986 ( -0.294 -0.170 14.800) 14.804 14.542 ( -3.660 -2.113 39.692) 39.916 ======================= Grid point 244 (31/165) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 17.748 10.247 14.098) 24.875 1.705 ( 21.410 12.361 0.946) 24.740 2.670 ( 28.815 16.636 10.260) 34.818 2.744 ( -0.229 -0.132 -13.845) 13.848 3.530 ( 7.257 4.190 -16.241) 18.276 3.590 ( 5.722 3.304 4.178) 7.817 3.739 ( 5.239 3.025 9.547) 11.303 4.377 ( 1.685 0.973 0.239) 1.960 5.285 ( -6.651 -3.840 -5.644) 9.531 9.618 ( -10.167 -5.870 -0.386) 11.746 11.028 ( -16.828 -9.716 3.377) 19.723 11.595 ( -2.018 -1.165 -27.431) 27.529 12.280 ( 2.116 1.221 0.341) 2.467 13.977 ( 0.405 0.234 18.224) 18.230 14.659 ( 9.018 5.207 16.170) 19.233 ======================= Grid point 245 (32/165) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 17.826 10.292 11.736) 23.694 2.181 ( 19.440 11.224 0.216) 22.448 2.740 ( -0.233 -0.135 -13.128) 13.131 3.293 ( 23.474 13.553 2.757) 27.245 3.612 ( 0.265 0.153 -17.790) 17.793 3.726 ( 5.767 3.329 2.724) 7.195 3.829 ( 2.871 1.658 13.135) 13.547 4.510 ( 8.823 5.094 1.762) 10.340 5.168 ( -2.989 -1.726 -4.386) 5.581 9.348 ( -12.840 -7.413 -0.805) 14.849 10.687 ( -11.776 -6.799 -1.118) 13.644 11.502 ( -5.792 -3.344 -18.734) 19.892 12.341 ( 3.106 1.793 1.041) 3.735 13.999 ( 1.310 0.756 13.264) 13.350 14.868 ( 8.149 4.705 9.099) 13.089 ======================= Grid point 246 (33/165) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 16.058 9.271 9.950) 21.043 2.609 ( 17.333 10.007 0.175) 20.015 2.730 ( -0.594 -0.343 -11.868) 11.888 3.544 ( -4.600 -2.656 -5.582) 7.705 3.656 ( 4.601 2.657 -6.533) 8.420 3.851 ( 4.743 2.738 1.141) 5.595 3.992 ( 13.258 7.654 7.123) 16.885 4.735 ( 9.567 5.523 1.605) 11.163 5.157 ( 1.992 1.150 -0.094) 2.302 9.039 ( -13.218 -7.631 -0.307) 15.266 10.489 ( -5.180 -2.991 -3.096) 6.735 11.339 ( -7.952 -4.591 -12.772) 15.730 12.419 ( 3.400 1.963 1.213) 4.109 14.032 ( 1.439 0.831 9.530) 9.674 15.018 ( 4.492 2.593 4.482) 6.855 ======================= Grid point 247 (34/165) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.992 4.037 -1.912) 8.297 2.735 ( 4.113 2.375 0.303) 4.759 2.983 ( 14.517 8.381 1.184) 16.804 3.378 ( -8.800 -5.081 -4.884) 11.274 3.698 ( 0.881 0.509 -3.123) 3.285 3.938 ( 2.621 1.513 -0.621) 3.090 4.292 ( 10.231 5.907 0.798) 11.841 4.929 ( 6.727 3.884 -0.045) 7.767 5.244 ( 4.955 2.861 5.692) 8.071 8.761 ( -10.019 -5.784 0.623) 11.585 10.441 ( 0.843 0.487 -2.176) 2.384 11.148 ( -8.000 -4.619 -9.337) 13.134 12.490 ( 2.549 1.472 1.119) 3.149 14.066 ( 1.510 0.872 7.623) 7.820 15.074 ( 0.337 0.195 -0.050) 0.392 ======================= Grid point 248 (35/165) ======================= q-point: ( 0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -4.016 -2.318 -12.228) 13.078 2.942 ( 9.035 5.216 11.701) 15.676 3.153 ( -9.241 -5.335 -0.520) 10.683 3.272 ( 8.789 5.075 -4.421) 11.070 3.729 ( 2.262 1.306 -0.640) 2.690 3.966 ( -0.355 -0.205 -2.620) 2.652 4.449 ( 3.549 2.049 0.309) 4.110 5.037 ( 2.471 1.427 -1.907) 3.432 5.351 ( 3.390 1.957 9.627) 10.392 8.599 ( -3.402 -1.964 1.500) 4.205 10.510 ( 4.262 2.460 0.898) 5.002 10.995 ( -4.265 -2.463 -8.127) 9.503 12.529 ( 0.705 0.407 0.899) 1.213 14.100 ( 1.332 0.769 7.287) 7.448 15.038 ( -3.206 -1.851 -4.676) 5.964 ======================= Grid point 249 (36/165) ======================= q-point: (-0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -7.177 -4.144 -10.553) 13.418 2.930 ( -9.633 -5.562 -6.519) 12.893 3.111 ( 5.462 3.154 11.951) 13.513 3.388 ( 0.911 0.526 -2.334) 2.560 3.826 ( 6.041 3.488 2.713) 7.485 3.921 ( -3.483 -2.011 -4.794) 6.258 4.466 ( -2.173 -1.255 2.246) 3.368 5.044 ( -1.747 -1.009 -3.393) 3.948 5.378 ( -1.220 -0.704 11.139) 11.227 8.613 ( 4.629 2.672 2.002) 5.707 10.580 ( 0.901 0.520 3.056) 3.228 11.011 ( 6.508 3.758 -6.878) 10.187 12.519 ( -1.579 -0.912 0.546) 1.903 14.123 ( 0.442 0.255 8.209) 8.225 14.934 ( -5.573 -3.218 -8.800) 10.903 ======================= Grid point 250 (37/165) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -10.316 -5.956 -7.829) 14.255 2.700 ( -10.423 -6.017 -7.948) 14.423 3.201 ( 2.452 1.416 11.983) 12.313 3.352 ( -3.153 -1.820 -5.397) 6.510 3.809 ( -5.991 -3.459 -6.927) 9.789 3.978 ( 6.339 3.660 4.982) 8.855 4.336 ( -9.303 -5.371 5.476) 12.057 4.959 ( -5.656 -3.265 -3.353) 7.341 5.310 ( -3.809 -2.199 9.761) 10.706 8.804 ( 11.281 6.513 2.141) 13.200 10.584 ( 0.550 0.318 2.395) 2.478 11.257 ( 13.263 7.657 -4.596) 15.989 12.458 ( -3.604 -2.081 -0.021) 4.161 14.113 ( -1.457 -0.841 10.119) 10.258 14.789 ( -6.646 -3.837 -11.322) 13.678 ======================= Grid point 251 (38/165) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -13.100 -7.563 -4.135) 15.681 2.428 ( -13.188 -7.614 -6.233) 16.455 3.233 ( 0.536 0.310 11.602) 11.618 3.270 ( -3.624 -2.093 -11.294) 12.044 3.649 ( -7.536 -4.351 -8.760) 12.348 4.018 ( -16.739 -9.664 8.679) 21.188 4.110 ( 3.557 2.053 6.631) 7.800 4.773 ( -10.229 -5.905 -0.034) 11.811 5.244 ( -1.222 -0.706 4.305) 4.531 9.113 ( 14.639 8.452 2.327) 17.063 10.632 ( 3.716 2.146 2.169) 4.808 11.589 ( 14.708 8.492 -5.360) 17.810 12.359 ( -4.694 -2.710 -0.910) 5.496 14.050 ( -3.937 -2.273 13.105) 13.871 14.631 ( -6.854 -3.957 -11.035) 13.580 ======================= Grid point 252 (39/165) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -15.075 -8.703 0.314) 17.409 2.077 ( -16.991 -9.810 -2.964) 19.843 3.172 ( -5.997 -3.462 -15.876) 17.320 3.233 ( -0.500 -0.289 10.380) 10.396 3.467 ( -7.920 -4.573 -9.813) 13.414 3.540 ( -22.390 -12.927 12.458) 28.698 4.172 ( 0.475 0.274 6.530) 6.553 4.513 ( -10.837 -6.257 1.093) 12.561 5.260 ( 2.520 1.455 -0.373) 2.933 9.455 ( 14.192 8.194 3.062) 16.671 10.756 ( 6.833 3.945 1.293) 7.995 11.926 ( 13.977 8.070 -9.200) 18.578 12.251 ( -4.347 -2.510 -2.210) 5.485 13.938 ( -5.294 -3.056 19.176) 20.127 14.470 ( -7.061 -4.077 -7.936) 11.378 ======================= Grid point 253 (40/165) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -15.775 -9.108 5.456) 19.015 1.643 ( -20.086 -11.597 0.557) 23.200 2.795 ( -27.089 -15.640 9.829) 32.788 3.178 ( -7.710 -4.451 -10.973) 14.130 3.200 ( -3.322 -1.918 2.255) 4.449 3.304 ( -4.805 -2.774 -3.867) 6.763 4.056 ( -10.517 -6.072 7.326) 14.183 4.379 ( 0.234 0.135 -1.259) 1.287 5.351 ( 5.031 2.904 -2.795) 6.446 9.749 ( 10.617 6.130 4.420) 13.032 10.932 ( 7.611 4.394 -3.205) 9.355 12.168 ( -2.554 -1.475 -3.788) 4.801 12.217 ( 10.059 5.808 -16.281) 20.000 13.845 ( -1.081 -0.624 33.999) 34.022 14.302 ( -7.199 -4.156 -3.496) 9.018 ======================= Grid point 254 (41/165) ======================= q-point: (-0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -14.490 -8.366 11.985) 20.581 1.160 ( -20.795 -12.006 6.318) 24.829 2.096 ( -31.421 -18.141 22.228) 42.549 3.020 ( -6.620 -3.822 -16.755) 18.416 3.070 ( -6.393 -3.691 -10.616) 12.930 3.261 ( -0.153 -0.089 7.051) 7.053 3.778 ( -12.322 -7.114 4.086) 14.803 4.464 ( 6.757 3.901 0.151) 7.804 5.483 ( 6.187 3.572 -2.593) 7.601 9.939 ( 5.662 3.269 5.735) 8.697 11.049 ( -0.126 -0.072 -17.311) 17.312 12.136 ( -0.229 -0.132 -5.054) 5.061 12.324 ( -1.841 -1.063 -20.668) 20.777 13.971 ( 8.132 4.695 37.526) 38.683 14.200 ( 6.550 3.782 23.463) 24.652 ======================= Grid point 255 (42/165) ======================= q-point: (-0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -9.147 -5.281 21.279) 23.756 0.731 ( -13.911 -8.031 19.839) 25.526 1.384 ( -28.251 -16.311 33.340) 46.644 2.880 ( -4.933 -2.848 -16.773) 17.714 2.934 ( -5.087 -2.937 -13.029) 14.292 3.272 ( 0.985 0.569 7.771) 7.854 3.497 ( -11.539 -6.662 2.063) 13.483 4.720 ( 15.767 9.103 -1.246) 18.249 5.654 ( 9.729 5.617 6.158) 12.812 10.018 ( 1.333 0.770 6.062) 6.255 10.728 ( -31.571 -18.228 -33.923) 49.797 12.150 ( 1.241 0.717 -5.298) 5.488 12.218 ( -3.665 -2.116 -7.619) 8.716 13.927 ( -4.490 -2.593 1.550) 5.412 15.094 ( 66.229 38.237 74.943) 107.074 ======================= Grid point 257 (43/165) ======================= q-point: ( 0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 14.101 12.175 16.345) 24.783 1.040 ( 12.726 20.465 7.506) 25.241 1.851 ( 13.632 31.914 24.490) 42.475 2.835 ( -5.640 5.528 -14.743) 16.725 3.156 ( 11.096 6.720 -11.940) 17.631 3.332 ( 7.042 -1.133 5.049) 8.739 3.643 ( 0.936 13.346 2.980) 13.707 4.502 ( -6.007 -8.681 1.123) 10.617 5.513 ( -4.886 -6.698 -2.050) 8.540 9.916 ( -6.997 -2.426 3.589) 8.229 11.129 ( 12.917 4.407 -23.837) 27.468 11.921 ( -18.857 -4.800 -7.368) 20.807 12.307 ( 0.014 8.199 -9.617) 12.638 13.989 ( 0.315 1.591 11.455) 11.569 14.454 ( -0.449 -26.070 53.204) 59.250 ======================= Grid point 258 (44/165) ======================= q-point: ( 0.13 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 15.498 13.315 14.174) 24.867 1.517 ( 17.592 18.479 0.927) 25.530 2.449 ( 20.012 26.678 14.332) 36.299 2.807 ( -3.967 5.259 -13.972) 15.447 3.404 ( 10.656 3.089 -3.056) 11.508 3.470 ( 8.055 1.174 -5.208) 9.664 3.789 ( 0.730 12.207 6.650) 13.920 4.378 ( -1.698 -1.677 -0.241) 2.399 5.354 ( -6.131 -5.287 -4.988) 9.509 9.740 ( -9.282 -4.586 1.057) 10.407 11.163 ( -6.223 -11.055 0.776) 12.710 11.580 ( -8.447 -6.065 -20.698) 23.164 12.367 ( -2.800 9.114 -7.302) 12.009 13.976 ( 0.197 -0.254 22.198) 22.201 14.488 ( 12.305 -1.550 18.419) 22.205 ======================= Grid point 259 (45/165) ======================= q-point: ( 0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 16.035 13.608 11.889) 24.159 1.996 ( 17.153 15.856 -0.319) 23.361 2.798 ( -3.265 5.188 -13.019) 14.390 3.054 ( 21.390 19.762 5.374) 29.613 3.586 ( 7.138 -1.294 1.914) 7.503 3.595 ( 5.398 3.133 -11.860) 13.401 3.898 ( -1.248 9.593 9.363) 13.463 4.425 ( 5.829 3.878 1.241) 7.111 5.210 ( -4.651 -3.370 -5.035) 7.638 9.497 ( -11.970 -6.690 -0.236) 13.715 10.842 ( -14.124 -8.411 1.678) 16.524 11.455 ( 0.187 -10.645 -18.137) 21.031 12.408 ( -2.568 8.852 -3.624) 9.903 14.000 ( 0.672 2.491 15.328) 15.544 14.712 ( 12.454 0.493 10.460) 16.271 ======================= Grid point 260 (46/165) ======================= q-point: ( 0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 15.375 12.676 10.455) 22.503 2.426 ( 15.424 12.284 -1.530) 19.777 2.799 ( -2.868 6.137 -10.890) 12.825 3.508 ( 10.792 4.460 2.805) 12.010 3.610 ( 0.249 0.900 -17.248) 17.273 3.788 ( 10.441 7.495 4.561) 13.638 3.952 ( -0.759 7.544 8.866) 11.666 4.621 ( 9.539 5.755 2.198) 11.355 5.143 ( -0.333 -0.711 -2.574) 2.691 9.197 ( -13.535 -7.887 -0.295) 15.668 10.571 ( -8.825 -4.787 -2.016) 10.240 11.329 ( -1.610 -12.087 -12.219) 17.262 12.462 ( -1.256 8.478 -1.162) 8.649 14.037 ( 0.191 3.097 9.880) 10.355 14.905 ( 9.378 -0.857 6.362) 11.365 ======================= Grid point 261 (47/165) ======================= q-point: ( 0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 12.679 10.740 8.796) 18.801 2.699 ( 3.951 1.558 -9.571) 10.472 2.900 ( 6.767 13.800 -0.036) 15.370 3.478 ( -6.451 -3.084 -2.949) 7.735 3.676 ( 2.208 0.725 -6.313) 6.727 3.958 ( 0.045 6.835 1.058) 6.917 4.160 ( 12.163 7.949 2.484) 14.741 4.834 ( 8.420 4.192 1.234) 9.487 5.183 ( 4.145 1.209 2.484) 4.981 8.889 ( -12.094 -7.382 0.389) 14.174 10.442 ( -2.150 -1.931 -2.610) 3.894 11.162 ( -3.407 -11.732 -8.371) 14.810 12.529 ( -0.852 7.956 -0.083) 8.002 14.070 ( 0.144 2.930 6.975) 7.566 15.013 ( 5.101 -2.822 2.269) 6.255 ======================= Grid point 262 (48/165) ======================= q-point: ( 0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -3.474 1.475 -11.645) 12.241 2.836 ( 10.102 6.667 10.543) 16.052 3.181 ( 7.509 9.327 7.515) 14.137 3.308 ( -8.988 -0.196 -10.228) 13.618 3.709 ( 1.326 0.941 -2.471) 2.958 4.004 ( -1.519 4.550 -1.173) 4.939 4.384 ( 6.683 3.104 -0.187) 7.371 4.985 ( 5.181 1.713 -0.749) 5.508 5.285 ( 5.381 0.898 7.415) 9.206 8.655 ( -6.868 -4.770 1.242) 8.453 10.450 ( 3.648 0.183 -0.574) 3.698 10.991 ( -2.826 -10.179 -6.471) 12.389 12.582 ( -1.939 7.073 0.169) 7.336 14.103 ( 0.372 2.749 6.095) 6.697 15.027 ( 0.873 -4.632 -2.206) 5.204 ======================= Grid point 263 (49/165) ======================= q-point: ( 0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -6.948 -0.042 -10.417) 12.521 3.041 ( 5.020 3.430 10.582) 12.205 3.084 ( -9.390 -0.268 -2.108) 9.627 3.392 ( 1.980 6.156 -3.368) 7.291 3.767 ( 3.951 2.624 0.915) 4.831 3.991 ( -4.049 2.608 -3.455) 5.928 4.464 ( 1.256 -0.586 0.916) 1.662 5.044 ( 0.941 -0.541 -2.542) 2.764 5.354 ( 2.304 -1.817 10.006) 10.428 8.574 ( 1.004 -0.614 1.848) 2.191 10.538 ( 4.389 0.222 2.869) 5.248 10.900 ( 3.834 -6.534 -6.238) 9.814 12.597 ( -3.956 5.804 -0.021) 7.024 14.136 ( 0.076 2.974 6.676) 7.309 14.957 ( -2.437 -6.044 -6.587) 9.266 ======================= Grid point 265 (50/165) ======================= q-point: (-0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -10.466 -0.533 -7.868) 13.104 2.858 ( -12.075 -1.640 -6.967) 14.037 3.174 ( 3.353 2.923 11.410) 12.246 3.403 ( -3.599 0.983 -3.578) 5.170 3.861 ( 0.069 -0.455 -2.198) 2.245 3.948 ( -0.633 4.788 0.036) 4.829 4.415 ( -4.768 -3.631 3.494) 6.937 5.010 ( -3.239 -2.183 -3.533) 5.267 5.324 ( -1.599 -4.493 10.317) 11.366 8.678 ( 8.840 3.574 2.027) 9.748 10.569 ( 0.857 -1.313 3.064) 3.442 11.027 ( 14.544 -2.351 -4.031) 15.275 12.562 ( -5.970 4.724 -0.542) 7.632 14.158 ( -1.623 3.585 8.315) 9.199 14.830 ( -4.304 -6.947 -9.949) 12.875 ======================= Grid point 266 (51/165) ======================= q-point: (-0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -14.359 -0.720 -4.389) 15.032 2.614 ( -13.882 -2.544 -7.485) 15.975 3.230 ( 0.969 0.918 9.031) 9.129 3.325 ( -4.808 -0.464 -5.188) 7.088 3.750 ( -7.581 -2.302 -8.443) 11.578 4.053 ( 3.938 3.244 5.140) 7.242 4.212 ( -12.631 -6.292 7.210) 15.847 4.881 ( -8.022 -4.453 -1.367) 9.277 5.244 ( -1.406 -3.971 6.496) 7.742 8.935 ( 14.123 6.246 1.975) 15.568 10.589 ( 2.753 0.301 2.458) 3.703 11.296 ( 18.465 -3.839 -3.135) 19.118 12.493 ( -7.194 5.099 -1.546) 8.952 14.142 ( -4.890 3.962 10.894) 12.582 14.679 ( -4.749 -6.869 -11.081) 13.875 ======================= Grid point 267 (52/165) ======================= q-point: (-0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -17.694 -0.803 -0.207) 17.714 2.311 ( -17.355 -3.922 -5.055) 18.496 3.205 ( -2.654 -4.114 -11.435) 12.439 3.265 ( -2.575 2.072 8.804) 9.404 3.579 ( -9.203 -2.755 -10.022) 13.883 3.826 ( -20.441 -8.089 9.756) 24.051 4.149 ( 2.286 1.266 6.576) 7.076 4.649 ( -11.552 -6.158 1.620) 13.191 5.220 ( 1.905 -1.551 0.962) 2.638 9.267 ( 15.701 6.501 2.176) 17.133 10.680 ( 5.969 2.710 2.212) 6.918 11.561 ( 18.992 -9.825 -5.081) 21.979 12.432 ( -6.830 8.069 -3.607) 11.170 14.064 ( -8.082 3.505 15.005) 17.399 14.533 ( -5.034 -4.957 -9.008) 11.448 ======================= Grid point 268 (53/165) ======================= q-point: (-0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -19.725 -0.333 4.490) 20.232 1.929 ( -21.324 -4.565 -1.985) 21.897 3.059 ( -11.924 -6.850 -10.748) 17.454 3.177 ( -9.089 -9.092 4.191) 13.521 3.338 ( -10.524 0.420 9.811) 14.395 3.477 ( -11.834 2.017 -8.437) 14.673 4.139 ( -4.231 -3.840 7.625) 9.528 4.415 ( -6.844 -3.040 0.113) 7.490 5.274 ( 5.038 -0.172 -2.299) 5.541 9.584 ( 13.789 4.096 2.906) 14.675 10.846 ( 8.278 5.038 0.758) 9.720 11.742 ( 17.094 -16.736 -7.957) 25.211 12.429 ( -4.359 10.172 -8.302) 13.835 13.953 ( -7.800 3.775 23.692) 25.227 14.400 ( -6.609 -1.354 -4.539) 8.131 ======================= Grid point 269 (54/165) ======================= q-point: (-0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -19.979 1.593 9.959) 22.380 1.486 ( -24.288 -3.377 1.347) 24.558 2.519 ( -32.167 -10.070 15.319) 37.024 2.977 ( -3.407 -10.222 -13.617) 17.365 3.267 ( -6.865 5.299 2.114) 8.926 3.349 ( -7.250 5.122 -7.101) 11.368 3.919 ( -11.735 -7.017 6.382) 15.089 4.386 ( 3.265 0.075 -0.781) 3.358 5.382 ( 7.082 0.030 -3.751) 8.014 9.811 ( 9.767 -0.394 3.707) 10.454 11.047 ( 6.364 7.231 -5.727) 11.207 11.839 ( 14.663 -17.699 -9.298) 24.794 12.435 ( -4.567 2.885 -14.576) 15.545 13.925 ( 0.639 5.640 36.468) 36.908 14.287 ( -6.957 4.881 4.525) 9.628 ======================= Grid point 274 (55/165) ======================= q-point: ( 0.13 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.098 15.848 9.694) 23.321 1.904 ( 13.463 19.300 -1.622) 23.587 2.935 ( -2.018 9.419 -13.702) 16.749 2.995 ( 8.163 23.082 7.921) 25.733 3.432 ( 8.890 1.638 9.423) 13.058 3.538 ( 6.765 4.985 -14.003) 16.331 4.028 ( -1.664 10.142 8.178) 13.135 4.390 ( 2.475 3.581 0.455) 4.376 5.254 ( -4.554 -4.376 -4.155) 7.560 9.602 ( -8.443 -9.544 1.385) 12.818 10.931 ( -4.971 -11.142 2.733) 12.504 11.452 ( -13.520 -6.293 -13.093) 19.845 12.513 ( 0.628 4.653 -9.200) 10.329 14.010 ( 3.054 4.134 19.909) 20.562 14.485 ( 11.786 0.701 5.393) 12.980 ======================= Grid point 275 (56/165) ======================= q-point: ( 0.20 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 14.221 14.542 9.155) 22.305 2.319 ( 13.293 15.723 -2.802) 20.780 2.938 ( -4.262 8.237 -10.564) 14.058 3.374 ( 10.813 8.825 2.357) 14.154 3.588 ( 4.796 2.638 -8.955) 10.496 3.713 ( 7.492 10.374 2.225) 12.988 4.069 ( -2.704 6.737 8.222) 10.969 4.537 ( 6.936 7.248 2.594) 10.362 5.155 ( -2.535 -2.069 -3.475) 4.773 9.328 ( -11.165 -10.414 0.389) 15.273 10.691 ( -10.228 -6.635 0.977) 12.230 11.231 ( -3.505 -10.876 -9.684) 14.978 12.569 ( -0.445 6.696 -4.992) 8.364 14.087 ( -0.318 6.172 9.393) 11.244 14.690 ( 12.176 -2.481 5.977) 13.789 ======================= Grid point 276 (57/165) ======================= q-point: ( 0.27 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 13.238 12.074 8.867) 19.991 2.647 ( 7.690 9.435 -7.213) 14.149 2.985 ( -0.216 11.644 -2.943) 12.012 3.504 ( 1.264 -1.393 3.594) 4.057 3.663 ( 1.233 3.563 -13.727) 14.235 4.002 ( 8.695 11.166 1.359) 14.218 4.100 ( 0.332 7.012 6.193) 9.361 4.737 ( 7.667 5.661 2.925) 9.969 5.134 ( 1.638 -0.333 -0.657) 1.796 9.017 ( -11.951 -10.092 0.594) 15.654 10.489 ( -6.436 -3.414 -1.524) 7.443 11.069 ( -1.740 -12.999 -5.172) 14.097 12.636 ( -0.642 8.409 -2.415) 8.773 14.127 ( -1.813 5.778 4.317) 7.437 14.844 ( 9.404 -4.857 4.057) 11.335 ======================= Grid point 277 (58/165) ======================= q-point: ( 0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 11.223 8.057 8.785) 16.373 2.745 ( -2.110 4.335 -10.384) 11.449 3.178 ( 5.519 12.242 6.871) 15.084 3.455 ( -5.545 2.106 -4.758) 7.604 3.707 ( 0.466 2.327 -5.975) 6.429 4.103 ( -2.459 7.323 0.672) 7.754 4.290 ( 8.141 4.642 -0.594) 9.390 4.902 ( 6.243 2.516 1.329) 6.861 5.195 ( 4.948 -0.236 3.819) 6.255 8.734 ( -9.132 -7.977 1.272) 12.192 10.407 ( -0.095 -1.587 -1.018) 1.888 10.907 ( -1.633 -12.898 -2.675) 13.274 12.707 ( -1.797 9.313 -1.281) 9.571 14.149 ( -1.554 4.859 2.836) 5.837 14.915 ( 5.284 -6.607 0.396) 8.469 ======================= Grid point 278 (59/165) ======================= q-point: ( 0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -5.667 2.217 -8.909) 10.789 2.964 ( 7.998 5.295 10.414) 14.159 3.248 ( -6.548 1.235 6.315) 9.180 3.470 ( -0.969 11.978 -9.416) 15.267 3.743 ( 1.778 2.508 -0.548) 3.123 4.110 ( -4.454 5.677 -2.369) 7.595 4.416 ( 3.748 0.105 -0.426) 3.773 5.001 ( 3.548 0.003 -0.983) 3.681 5.270 ( 4.382 -2.563 7.263) 8.861 8.565 ( -2.621 -4.172 1.847) 5.262 10.446 ( 5.150 -0.529 1.783) 5.476 10.769 ( 0.530 -11.296 -2.202) 11.520 12.750 ( -4.181 8.964 -1.106) 9.953 14.178 ( -0.521 4.742 3.460) 5.893 14.897 ( 1.177 -7.950 -3.843) 8.908 ======================= Grid point 279 (60/165) ======================= q-point: (-0.53 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -8.453 2.145 -6.208) 10.705 3.047 ( -6.434 -0.497 1.350) 6.593 3.161 ( -0.543 4.963 6.945) 8.553 3.508 ( -5.054 5.195 -5.061) 8.841 3.831 ( 3.441 3.395 1.469) 5.052 4.067 ( -5.767 4.787 -4.222) 8.603 4.430 ( -0.702 -2.559 1.687) 3.144 5.024 ( -0.217 -1.269 -2.625) 2.924 5.276 ( 1.018 -5.727 8.775) 10.528 8.570 ( 5.531 0.153 2.027) 5.893 10.522 ( 2.896 -1.575 4.421) 5.514 10.751 ( 10.133 -7.665 -2.422) 12.935 12.738 ( -6.584 7.585 -1.434) 10.146 14.226 ( -0.352 6.029 5.124) 7.920 14.803 ( -1.918 -9.049 -7.494) 11.904 ======================= Grid point 280 (61/165) ======================= q-point: (-0.47 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -12.014 2.554 -2.853) 12.610 2.852 ( -13.601 0.565 -6.327) 15.011 3.218 ( 1.179 1.331 8.806) 8.984 3.434 ( -6.591 2.148 -3.146) 7.612 3.844 ( -4.260 -1.123 -5.639) 7.156 4.059 ( -0.582 5.529 1.355) 5.722 4.331 ( -6.953 -4.239 4.369) 9.242 4.961 ( -5.147 -2.785 -1.578) 6.061 5.210 ( -0.555 -6.126 6.908) 9.250 8.750 ( 12.400 3.310 1.783) 12.958 10.538 ( 2.367 -1.609 3.024) 4.164 10.931 ( 16.391 -6.396 -0.539) 17.603 12.681 ( -7.571 6.293 -2.127) 10.072 14.274 ( -2.771 7.855 7.644) 11.306 14.662 ( -2.956 -9.395 -9.606) 13.758 ======================= Grid point 281 (62/165) ======================= q-point: (-0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -16.283 2.902 1.298) 16.590 2.594 ( -16.635 0.368 -6.648) 17.918 3.203 ( -2.086 -3.440 -2.341) 4.654 3.358 ( -4.568 3.390 3.875) 6.883 3.712 ( -8.055 -1.590 -11.086) 13.795 4.047 ( -10.447 -4.252 4.788) 12.253 4.156 ( -3.410 1.372 7.615) 8.455 4.783 ( -10.076 -4.936 2.129) 11.420 5.167 ( 1.249 -3.230 1.451) 3.754 9.042 ( 15.965 4.026 1.438) 16.527 10.597 ( 5.367 0.287 2.424) 5.896 11.148 ( 16.627 -8.914 -2.051) 18.977 12.615 ( -6.560 5.700 -3.460) 9.354 14.257 ( -7.794 5.656 10.251) 14.065 14.542 ( -1.696 -4.678 -8.057) 9.470 ======================= Grid point 282 (63/165) ======================= q-point: (-0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -19.598 3.233 5.492) 20.608 2.276 ( -20.235 0.451 -4.220) 20.675 3.092 ( -4.038 -6.931 -11.781) 14.253 3.311 ( -7.082 2.165 6.443) 9.817 3.545 ( -10.489 0.189 -7.315) 12.790 3.723 ( -16.376 -2.290 4.058) 17.026 4.148 ( -1.144 -1.797 7.507) 7.804 4.546 ( -10.999 -3.310 2.500) 11.756 5.186 ( 3.596 -1.747 -2.107) 4.520 9.356 ( 15.689 1.799 1.355) 15.850 10.731 ( 8.867 1.535 2.528) 9.348 11.320 ( 14.537 -10.830 -6.670) 19.316 12.570 ( -4.466 3.949 -6.021) 8.473 14.132 ( -8.736 0.702 13.079) 15.744 14.502 ( -3.602 4.281 -1.728) 5.856 ======================= Grid point 290 (64/165) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 12.263 12.422 5.979) 18.451 2.615 ( 9.391 13.446 -5.889) 17.426 3.108 ( -2.005 8.030 -4.242) 9.300 3.437 ( 5.239 0.915 4.946) 7.263 3.685 ( 2.158 6.017 -13.598) 15.026 3.981 ( 6.262 13.340 3.837) 15.228 4.167 ( 0.356 3.513 6.665) 7.543 4.709 ( 3.693 9.401 3.951) 10.845 5.125 ( -1.457 -0.918 -1.546) 2.314 9.080 ( -8.634 -13.752 0.925) 16.264 10.574 ( -6.622 -4.940 0.953) 8.317 11.022 ( -7.945 -10.048 -2.929) 13.140 12.684 ( 3.561 5.067 -3.753) 7.241 14.241 ( -1.801 8.700 2.546) 9.242 14.617 ( 9.496 -4.628 2.974) 10.974 ======================= Grid point 291 (65/165) ======================= q-point: ( 0.27 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 10.789 8.270 5.467) 14.652 2.820 ( 1.060 7.984 -7.348) 10.902 3.213 ( 3.578 9.211 6.696) 11.936 3.514 ( 1.856 3.460 -0.503) 3.959 3.750 ( -0.808 4.929 -9.324) 10.577 4.190 ( 4.191 6.897 -1.324) 8.179 4.228 ( 2.074 5.706 2.882) 6.720 4.848 ( 3.450 5.339 4.042) 7.533 5.123 ( 2.186 -0.997 0.440) 2.443 8.796 ( -8.664 -11.408 1.391) 14.393 10.431 ( -4.736 -2.373 -0.231) 5.302 10.818 ( -3.357 -11.787 0.714) 12.277 12.797 ( 1.946 7.610 -2.268) 8.176 14.262 ( -4.338 7.311 -1.448) 8.624 14.720 ( 8.567 -7.120 2.562) 11.430 ======================= Grid point 292 (66/165) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.254 3.045 -4.217) 5.208 2.895 ( 4.106 6.165 5.766) 9.387 3.324 ( -0.084 3.283 10.209) 10.724 3.618 ( 1.039 12.495 -7.030) 14.374 3.766 ( -1.760 3.463 -4.079) 5.632 4.239 ( -2.873 5.121 -2.114) 6.241 4.350 ( 4.265 2.239 -1.446) 5.029 4.939 ( 3.331 1.385 1.816) 4.038 5.165 ( 4.072 -2.874 3.578) 6.136 8.575 ( -4.989 -7.512 1.996) 9.235 10.378 ( 0.944 -1.224 1.099) 1.897 10.661 ( -1.348 -11.218 2.088) 11.490 12.891 ( -1.041 8.666 -1.731) 8.898 14.260 ( -2.980 5.926 -0.898) 6.694 14.761 ( 4.811 -8.340 -1.042) 9.685 ======================= Grid point 293 (67/165) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -6.191 3.151 -3.907) 7.970 3.027 ( 4.486 0.784 8.282) 9.451 3.299 ( -5.301 3.526 5.404) 8.351 3.687 ( -7.223 8.184 -8.203) 13.654 3.820 ( 3.101 5.653 1.668) 6.660 4.214 ( -4.705 3.687 -5.621) 8.205 4.404 ( 0.877 -0.331 0.586) 1.106 4.995 ( 2.276 -0.282 -0.698) 2.398 5.182 ( 2.633 -5.903 5.891) 8.745 8.491 ( 1.812 -3.034 2.268) 4.199 10.434 ( 5.624 -0.491 4.134) 6.997 10.555 ( 1.999 -9.443 1.140) 9.719 12.923 ( -4.991 7.696 -1.838) 9.355 14.292 ( -0.250 6.480 1.027) 6.566 14.719 ( 0.723 -9.319 -4.664) 10.446 ======================= Grid point 295 (68/165) ======================= q-point: (-0.53 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( -8.773 3.633 -1.406) 9.599 3.023 ( -4.519 -2.178 0.533) 5.044 3.258 ( -3.448 4.372 8.007) 9.753 3.598 ( -8.843 3.688 -4.986) 10.801 3.882 ( -1.174 1.049 -1.105) 1.923 4.173 ( -4.466 5.241 -5.444) 8.778 4.376 ( -2.667 -2.317 2.518) 4.339 5.000 ( -1.626 -1.237 -0.592) 2.127 5.143 ( 0.857 -6.427 5.679) 8.620 8.577 ( 9.217 0.385 2.063) 9.453 10.474 ( 1.927 -3.446 3.470) 5.257 10.621 ( 12.359 -4.168 2.094) 13.210 12.876 ( -7.593 5.514 -2.144) 9.625 14.378 ( 0.830 8.840 3.169) 9.428 14.605 ( -2.229 -10.184 -6.846) 12.472 ======================= Grid point 296 (69/165) ======================= q-point: (-0.47 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -12.455 4.161 1.990) 13.281 2.858 ( -11.791 -0.562 -5.891) 13.192 3.229 ( -3.723 -0.139 6.388) 7.395 3.484 ( -6.587 2.488 -1.048) 7.119 3.810 ( -5.227 -2.418 -8.064) 9.909 4.150 ( -4.704 3.069 -0.754) 5.667 4.265 ( -6.806 -2.046 4.762) 8.555 4.893 ( -7.159 -3.753 3.495) 8.806 5.117 ( 1.130 -2.266 1.064) 2.747 8.800 ( 14.519 1.364 1.508) 14.661 10.497 ( 4.537 -2.818 1.663) 5.594 10.818 ( 13.782 -3.418 1.491) 14.278 12.784 ( -7.634 3.286 -2.675) 8.731 14.414 ( -6.529 -2.586 1.086) 7.106 14.518 ( 2.185 3.801 -2.071) 4.849 ======================= Grid point 307 (70/165) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 7.774 5.023 1.786) 9.426 2.957 ( -1.812 5.026 -0.733) 5.393 3.323 ( 3.684 2.760 9.677) 10.716 3.650 ( 6.145 8.348 -3.597) 10.972 3.855 ( -1.268 5.330 -5.132) 7.507 4.254 ( 2.895 -0.017 -5.255) 6.000 4.347 ( 2.129 5.632 1.346) 6.169 4.948 ( -1.089 4.280 4.335) 6.188 5.091 ( 0.685 -2.090 0.877) 2.368 8.581 ( -5.346 -9.212 2.073) 10.850 10.397 ( -4.082 -0.808 1.438) 4.403 10.599 ( -4.024 -9.807 4.310) 11.443 12.941 ( 4.273 6.377 -2.062) 7.948 14.406 ( -6.436 6.356 -5.010) 10.340 14.574 ( 7.363 -6.791 1.572) 10.139 ======================= Grid point 308 (71/165) ======================= q-point: ( 0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -0.415 3.501 -0.249) 3.534 2.966 ( 1.564 0.814 5.654) 5.923 3.375 ( -0.410 2.065 7.270) 7.569 3.814 ( 2.079 3.594 1.854) 4.547 3.894 ( -2.161 11.293 -7.958) 13.984 4.241 ( -0.059 -4.378 -5.533) 7.056 4.438 ( 0.040 5.427 -1.594) 5.657 4.965 ( 0.622 1.370 2.273) 2.726 5.083 ( 1.936 -4.821 2.704) 5.857 8.448 ( -1.411 -4.623 2.505) 5.444 10.362 ( 1.069 -0.200 3.090) 3.276 10.469 ( -1.123 -7.458 4.634) 8.852 13.042 ( -0.261 5.792 -1.916) 6.106 14.378 ( -2.876 5.593 -2.704) 6.846 14.596 ( 3.330 -7.493 -2.191) 8.488 ======================= Grid point 309 (72/165) ======================= q-point: (-0.60 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -6.003 3.531 0.660) 6.995 3.004 ( 1.922 -2.548 4.722) 5.699 3.363 ( -3.038 2.296 6.845) 7.833 3.788 ( -6.829 2.683 -1.473) 7.484 3.940 ( -4.158 3.709 -3.520) 6.590 4.225 ( 2.357 -1.232 -6.919) 7.412 4.436 ( -4.551 2.486 -0.615) 5.222 4.996 ( 0.804 -0.291 1.352) 1.599 5.062 ( 1.884 -4.152 3.460) 5.723 8.448 ( 4.715 -1.096 2.506) 5.451 10.404 ( 1.123 -5.038 2.971) 5.956 10.435 ( 6.566 0.668 5.102) 8.342 13.039 ( -5.239 3.322 -1.999) 6.518 14.426 ( 1.364 5.607 -1.409) 5.940 14.544 ( -0.496 -6.632 -3.703) 7.612 ======================= Grid point 323 (73/165) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -1.672 -3.344 3.398) 5.052 2.934 ( 1.672 3.344 3.398) 5.052 3.399 ( -0.000 -0.000 6.531) 6.531 3.849 ( -0.000 -0.000 2.915) 2.915 4.103 ( -3.881 -7.762 -6.561) 10.879 4.103 ( 3.881 7.762 -6.561) 10.879 4.504 ( -0.000 -0.000 -2.835) 2.835 5.001 ( -1.043 -2.086 2.404) 3.350 5.001 ( 1.043 2.086 2.404) 3.350 8.400 ( -0.000 -0.000 2.699) 2.699 10.375 ( -0.693 -1.387 4.580) 4.835 10.375 ( 0.693 1.387 4.580) 4.835 13.104 ( -0.000 -0.000 -1.958) 1.958 14.477 ( -1.818 -3.636 -2.863) 4.972 14.477 ( 1.818 3.636 -2.863) 4.972 ======================= Grid point 482 (74/165) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 0.000 25.859) 25.859 1.120 ( -0.000 -0.000 25.859) 25.859 1.890 ( 0.000 -0.000 44.367) 44.367 2.517 ( 0.000 0.000 -17.334) 17.334 2.517 ( 0.000 -0.000 -17.334) 17.334 3.427 ( 0.000 0.000 4.446) 4.446 3.427 ( 0.000 -0.000 4.446) 4.446 4.426 ( 0.000 0.000 -31.565) 31.565 6.125 ( -0.000 -0.000 7.952) 7.952 10.142 ( 0.000 0.000 7.084) 7.084 10.142 ( 0.000 -0.000 7.084) 7.084 12.070 ( 0.000 0.000 -6.227) 6.227 12.070 ( 0.000 -0.000 -6.227) 6.227 13.884 ( 0.000 -0.000 0.788) 0.788 16.548 ( 0.000 0.000 2.356) 2.356 ======================= Grid point 483 (75/165) ======================= q-point: ( 0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.646 3.259 23.627) 24.510 1.261 ( 8.653 4.996 24.649) 26.597 2.071 ( 13.670 7.892 36.354) 39.633 2.459 ( -1.479 -0.854 -17.093) 17.178 2.692 ( 10.640 6.143 -17.038) 21.005 3.471 ( 2.497 1.442 3.409) 4.465 3.497 ( 6.792 3.922 4.999) 9.301 4.376 ( -3.797 -2.192 -26.041) 26.408 5.836 ( -18.895 -10.909 8.958) 23.585 10.047 ( -5.668 -3.273 6.527) 9.244 10.534 ( 24.019 13.867 -3.114) 27.909 11.934 ( -10.574 -6.105 -5.263) 13.296 12.123 ( 2.466 1.423 -5.733) 6.401 13.955 ( 5.743 3.315 1.149) 6.730 16.001 ( -36.632 -21.149 20.761) 47.119 ======================= Grid point 484 (76/165) ======================= q-point: ( 0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 15.018 8.671 15.096) 22.992 1.509 ( 12.390 7.153 21.535) 25.854 2.444 ( 0.075 0.043 -16.037) 16.037 2.454 ( 18.084 10.441 20.984) 29.604 2.966 ( 11.982 6.918 -14.612) 20.123 3.544 ( 3.686 2.128 2.176) 4.780 3.706 ( 10.274 5.932 6.563) 13.557 4.297 ( -1.753 -1.012 -14.854) 14.992 5.440 ( -13.951 -8.055 2.293) 16.272 9.881 ( -8.622 -4.978 4.914) 11.102 11.002 ( 14.239 8.221 -11.078) 19.825 11.567 ( -20.015 -11.556 -0.721) 23.122 12.184 ( 2.779 1.604 -4.335) 5.393 14.110 ( 6.338 3.659 2.575) 7.758 15.273 ( -21.675 -12.514 26.753) 36.635 ======================= Grid point 485 (77/165) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 17.905 10.337 7.307) 21.928 1.825 ( 14.466 8.352 17.449) 24.156 2.458 ( 1.064 0.614 -13.920) 13.975 2.865 ( 16.040 9.261 -0.767) 18.538 3.228 ( 10.887 6.285 -3.941) 13.174 3.640 ( 4.470 2.581 0.762) 5.217 3.928 ( 7.717 4.456 8.258) 12.149 4.342 ( 6.125 3.536 -4.685) 8.483 5.190 ( -7.590 -4.382 -2.700) 9.170 9.648 ( -11.328 -6.540 3.134) 13.450 11.047 ( -18.082 -10.440 -7.921) 22.332 11.232 ( 1.430 0.825 -2.230) 2.774 12.255 ( 3.339 1.928 -2.648) 4.678 14.209 ( 1.997 1.153 5.934) 6.366 15.005 ( -3.334 -1.925 15.096) 15.579 ======================= Grid point 486 (78/165) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 13.675 7.895 10.530) 18.979 2.190 ( 16.992 9.810 1.480) 19.676 2.498 ( 2.760 1.594 -8.542) 9.118 3.144 ( 7.923 4.574 -19.472) 21.514 3.515 ( 13.499 7.794 10.074) 18.560 3.745 ( 4.424 2.554 -0.765) 5.165 4.036 ( 1.811 1.045 7.437) 7.726 4.555 ( 10.813 6.243 1.476) 12.573 5.100 ( 0.267 0.154 -1.197) 1.236 9.360 ( -13.118 -7.573 1.967) 15.274 10.661 ( -13.070 -7.546 -1.645) 15.181 11.224 ( -2.832 -1.635 -7.659) 8.328 12.339 ( 3.868 2.233 -1.180) 4.619 14.225 ( 0.014 0.008 8.019) 8.019 15.010 ( 1.856 1.072 4.413) 4.906 ======================= Grid point 487 (79/165) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 4.093 2.363 -7.490) 8.857 2.556 ( 14.116 8.150 -5.008) 17.051 2.648 ( 10.939 6.316 8.494) 15.222 3.283 ( 4.809 2.777 -13.528) 14.623 3.748 ( 3.583 2.069 9.972) 10.796 3.837 ( 3.318 1.916 -2.350) 4.495 4.087 ( 5.242 3.027 2.320) 6.483 4.794 ( 9.133 5.273 2.355) 10.806 5.197 ( 7.358 4.248 4.759) 9.738 9.053 ( -12.801 -7.391 1.682) 14.877 10.456 ( -4.592 -2.651 0.104) 5.303 11.114 ( -6.215 -3.588 -8.400) 11.048 12.430 ( 3.781 2.183 -0.146) 4.369 14.227 ( 0.311 0.180 8.368) 8.375 15.038 ( 0.028 0.016 -2.248) 2.248 ======================= Grid point 488 (80/165) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -0.464 -0.268 -11.123) 11.136 2.821 ( 7.755 4.477 -13.502) 16.201 2.929 ( 11.873 6.855 11.858) 18.126 3.383 ( 3.975 2.295 1.995) 5.005 3.721 ( -2.719 -1.570 6.263) 7.006 3.891 ( 1.095 0.632 -3.952) 4.149 4.264 ( 7.735 4.466 -2.652) 9.318 4.969 ( 5.731 3.309 2.237) 6.985 5.393 ( 8.381 4.839 8.643) 12.975 8.789 ( -9.390 -5.421 1.969) 11.019 10.438 ( 2.711 1.565 1.917) 3.671 10.954 ( -7.149 -4.128 -8.609) 11.927 12.508 ( 2.694 1.555 0.492) 3.149 14.242 ( 1.027 0.593 8.433) 8.516 15.000 ( -3.275 -1.891 -6.611) 7.616 ======================= Grid point 489 (81/165) ======================= q-point: ( 0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -2.670 -1.542 -9.730) 10.207 2.880 ( -2.594 -1.498 -15.438) 15.726 3.173 ( 8.851 5.110 11.116) 15.100 3.460 ( 1.560 0.900 12.748) 12.874 3.716 ( 3.406 1.966 -0.720) 3.998 3.881 ( -2.013 -1.162 -5.560) 6.026 4.404 ( 4.167 2.406 -4.034) 6.279 5.053 ( 1.331 0.768 2.130) 2.626 5.550 ( 4.538 2.620 9.387) 10.750 8.640 ( -3.029 -1.749 2.237) 4.152 10.558 ( 6.599 3.810 3.609) 8.432 10.807 ( -4.473 -2.583 -9.087) 10.452 12.548 ( 0.682 0.394 0.838) 1.150 14.273 ( 1.507 0.870 8.563) 8.738 14.892 ( -5.771 -3.332 -8.900) 11.118 ======================= Grid point 490 (82/165) ======================= q-point: (-0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -4.891 -2.824 -7.225) 9.170 2.747 ( -7.804 -4.506 -10.066) 13.510 3.338 ( 5.312 3.067 10.380) 12.057 3.427 ( -4.037 -2.331 5.507) 7.215 3.796 ( -5.277 -3.046 -7.256) 9.475 3.865 ( 7.961 4.596 1.093) 9.258 4.456 ( 0.210 0.121 -3.446) 3.455 5.029 ( -3.290 -1.899 1.443) 4.063 5.589 ( -1.283 -0.741 8.982) 9.104 8.657 ( 4.549 2.626 2.051) 5.639 10.619 ( -1.631 -0.942 0.141) 1.889 10.865 ( 9.479 5.473 -6.268) 12.614 12.536 ( -1.772 -1.023 0.965) 2.262 14.308 ( 1.424 0.822 8.866) 9.018 14.745 ( -6.545 -3.779 -8.556) 11.416 ======================= Grid point 491 (83/165) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -7.099 -4.098 -3.703) 8.995 2.547 ( -9.019 -5.207 -6.437) 12.243 3.288 ( -7.660 -4.423 -0.578) 8.864 3.424 ( 2.284 1.319 9.818) 10.166 3.641 ( -7.855 -4.535 -9.175) 12.901 4.041 ( 6.660 3.845 1.528) 7.840 4.404 ( -5.107 -2.949 -0.376) 5.910 4.910 ( -6.539 -3.775 -0.553) 7.570 5.499 ( -6.015 -3.473 7.920) 10.534 8.842 ( 10.966 6.331 1.415) 12.741 10.595 ( 0.338 0.195 -1.139) 1.203 11.123 ( 11.625 6.712 -8.213) 15.737 12.467 ( -4.012 -2.316 0.899) 4.719 14.335 ( 0.791 0.457 9.484) 9.528 14.601 ( -5.661 -3.268 -5.105) 8.294 ======================= Grid point 492 (84/165) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -9.038 -5.218 0.823) 10.469 2.328 ( -9.965 -5.753 -2.959) 11.881 3.085 ( -9.338 -5.391 -6.544) 12.613 3.438 ( -9.129 -5.270 -9.450) 14.156 3.452 ( -0.022 -0.013 7.442) 7.442 4.152 ( 0.164 0.095 2.434) 2.442 4.205 ( -9.579 -5.531 3.951) 11.746 4.740 ( -8.031 -4.637 -2.535) 9.613 5.342 ( -6.464 -3.732 4.660) 8.800 9.146 ( 14.604 8.431 0.747) 16.879 10.643 ( 3.655 2.110 -1.139) 4.372 11.386 ( 10.843 6.260 -13.121) 18.136 12.356 ( -5.419 -3.128 0.599) 6.285 14.345 ( 0.239 0.138 9.850) 9.854 14.488 ( -4.010 -2.315 1.816) 4.974 ======================= Grid point 493 (85/165) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -10.343 -5.972 6.196) 13.455 2.071 ( -12.391 -7.154 2.973) 14.614 2.873 ( -8.620 -4.977 -13.214) 16.543 3.213 ( -9.798 -5.657 -13.053) 17.274 3.443 ( -0.785 -0.453 8.286) 8.336 3.805 ( -19.903 -11.491 12.533) 26.177 4.205 ( -0.151 -0.087 -2.572) 2.578 4.525 ( -10.474 -6.047 -0.518) 12.106 5.243 ( -1.339 -0.773 -1.031) 1.859 9.496 ( 14.913 8.610 0.669) 17.233 10.752 ( 5.191 2.997 -1.999) 6.319 11.628 ( 10.041 5.797 -16.834) 20.441 12.225 ( -5.519 -3.186 -0.103) 6.373 14.342 ( -1.409 -0.813 0.756) 1.794 14.429 ( 0.304 0.176 20.372) 20.375 ======================= Grid point 494 (86/165) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -10.378 -5.992 12.170) 17.080 1.755 ( -14.302 -8.257 10.931) 19.805 2.684 ( -7.915 -4.570 -15.955) 18.387 2.990 ( -9.256 -5.344 -14.774) 18.234 3.294 ( -23.243 -13.419 16.647) 31.583 3.422 ( -0.863 -0.498 7.356) 7.423 4.127 ( -8.704 -5.025 -1.696) 10.193 4.310 ( -4.870 -2.811 -4.478) 7.188 5.287 ( 5.015 2.896 -2.981) 6.514 9.816 ( 12.117 6.996 1.717) 14.096 10.847 ( 1.965 1.135 -4.627) 5.154 11.851 ( 8.744 5.049 -16.818) 19.617 12.110 ( -4.112 -2.374 -1.468) 4.969 14.257 ( -5.336 -3.081 -0.282) 6.168 14.566 ( 12.309 7.106 31.501) 34.559 ======================= Grid point 495 (87/165) ======================= q-point: (-0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -8.260 -4.769 18.348) 20.679 1.438 ( -12.084 -6.977 19.886) 24.293 2.466 ( -12.490 -7.211 0.044) 14.422 2.786 ( -17.871 -10.318 7.093) 21.820 2.789 ( -7.881 -4.550 -16.066) 18.465 3.407 ( -0.366 -0.212 6.342) 6.356 3.842 ( -13.389 -7.730 1.772) 15.562 4.300 ( 2.321 1.340 -15.657) 15.885 5.480 ( 11.809 6.818 1.882) 13.765 10.044 ( 7.211 4.164 3.854) 9.176 10.784 ( -8.657 -4.998 -7.682) 12.607 12.010 ( 4.607 2.660 -12.353) 13.449 12.043 ( -1.607 -0.928 -3.486) 3.949 14.108 ( -7.114 -4.107 1.410) 8.335 15.065 ( 31.477 18.173 35.168) 50.575 ======================= Grid point 496 (88/165) ======================= q-point: (-0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -3.398 -1.962 23.596) 23.920 1.224 ( -6.206 -3.583 26.095) 27.062 2.095 ( -15.779 -9.110 33.962) 38.541 2.535 ( -5.041 -2.910 -15.472) 16.530 2.628 ( -5.883 -3.397 -16.938) 18.250 3.407 ( 0.396 0.229 5.380) 5.399 3.562 ( -9.740 -5.624 2.926) 11.621 4.378 ( 3.557 2.054 -26.157) 26.478 5.841 ( 18.164 10.487 8.843) 22.762 10.149 ( 1.941 1.120 6.067) 6.468 10.430 ( -19.722 -11.386 -2.851) 22.950 12.035 ( 0.778 0.449 -5.399) 5.474 12.073 ( 1.239 0.715 -7.423) 7.560 13.953 ( -5.492 -3.171 1.143) 6.444 15.966 ( 40.889 23.607 22.337) 52.231 ======================= Grid point 498 (89/165) ======================= q-point: ( 0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 9.412 9.468 18.172) 22.548 1.393 ( 8.590 9.047 22.854) 26.037 2.356 ( 7.199 15.875 15.329) 23.213 2.540 ( -4.055 10.358 -8.016) 13.711 2.846 ( 10.996 9.396 -13.938) 20.087 3.452 ( 4.990 -0.444 5.111) 7.157 3.713 ( 2.682 13.782 3.209) 14.403 4.314 ( -1.995 -3.008 -18.195) 18.549 5.546 ( -9.629 -14.337 4.213) 17.777 10.005 ( -9.307 -3.217 4.757) 10.936 10.814 ( 15.367 10.945 -8.205) 20.573 11.799 ( -17.550 -7.252 -4.672) 19.555 12.161 ( 4.153 2.669 -6.402) 8.084 14.067 ( 4.268 7.023 1.755) 8.403 15.353 ( -12.947 -35.314 30.841) 48.640 ======================= Grid point 499 (90/165) ======================= q-point: ( 0.13 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 15.362 12.765 9.875) 22.282 1.678 ( 12.440 10.243 18.782) 24.748 2.494 ( -1.001 5.363 -15.056) 16.014 2.752 ( 9.426 15.793 5.568) 19.217 3.137 ( 9.804 10.908 -6.057) 15.867 3.554 ( 6.406 0.419 3.794) 7.457 3.913 ( 4.039 12.287 5.289) 13.974 4.298 ( 2.233 1.713 -8.294) 8.759 5.276 ( -8.414 -7.337 -1.882) 11.322 9.785 ( -10.895 -5.533 3.118) 12.611 11.086 ( 9.471 -0.156 -10.218) 13.933 11.335 ( -22.634 -10.992 -0.547) 25.168 12.255 ( 2.183 5.132 -4.890) 7.417 14.194 ( 2.563 4.276 4.116) 6.465 14.969 ( -1.640 -15.027 22.342) 26.975 ======================= Grid point 500 (91/165) ======================= q-point: ( 0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 15.207 12.258 3.442) 19.833 2.019 ( 14.090 11.059 14.466) 23.024 2.533 ( -1.005 6.871 -12.211) 14.047 3.047 ( 9.444 7.900 -14.484) 19.010 3.408 ( 8.970 10.848 6.536) 15.519 3.680 ( 6.158 2.689 2.101) 7.041 4.059 ( 0.784 7.239 6.040) 9.460 4.446 ( 8.922 6.834 0.165) 11.240 5.116 ( -3.545 -2.749 -3.303) 5.571 9.515 ( -12.608 -7.167 1.822) 14.616 10.860 ( -18.735 -7.817 -1.670) 20.369 11.168 ( 3.848 -6.293 -7.176) 10.291 12.344 ( 1.512 6.249 -3.064) 7.122 14.234 ( -0.494 1.265 7.235) 7.361 14.925 ( 5.529 -5.247 9.397) 12.099 ======================= Grid point 501 (92/165) ======================= q-point: ( 0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 7.903 8.412 -1.336) 11.619 2.378 ( 14.647 9.384 4.599) 17.993 2.630 ( 3.138 11.496 -3.344) 12.377 3.237 ( 5.460 5.168 -17.946) 19.457 3.636 ( 7.612 1.987 8.087) 11.283 3.837 ( 5.736 8.128 1.207) 10.021 4.096 ( -1.901 4.280 4.935) 6.804 4.689 ( 9.536 6.867 2.965) 12.119 5.116 ( 4.559 1.189 0.800) 4.779 9.209 ( -13.367 -7.694 1.426) 15.489 10.547 ( -10.047 -3.963 -0.161) 10.801 11.118 ( -1.013 -7.820 -7.520) 10.896 12.435 ( 1.408 6.687 -1.538) 7.004 14.229 ( -0.524 0.350 7.839) 7.865 14.980 ( 4.591 -3.666 1.039) 5.967 ======================= Grid point 502 (93/165) ======================= q-point: ( 0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.460 4.477 -9.718) 10.709 2.708 ( 12.271 8.340 0.410) 14.843 2.865 ( 6.980 13.069 2.088) 14.963 3.360 ( 3.054 4.929 -6.723) 8.877 3.697 ( 1.583 -3.671 6.001) 7.211 3.956 ( -2.361 7.028 -0.323) 7.421 4.175 ( 6.640 4.721 -0.512) 8.163 4.892 ( 7.071 4.263 2.549) 8.641 5.270 ( 9.465 2.576 6.316) 11.667 8.912 ( -11.591 -6.792 1.763) 13.550 10.428 ( -1.382 -0.425 1.433) 2.035 10.992 ( -3.986 -7.770 -7.476) 11.496 12.523 ( 0.731 6.602 -0.494) 6.661 14.231 ( 0.514 0.225 7.666) 7.687 14.989 ( 0.953 -4.676 -4.315) 6.433 ======================= Grid point 503 (94/165) ======================= q-point: ( 0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -3.796 4.224 -8.661) 10.357 2.927 ( 1.701 6.599 -13.397) 15.031 3.086 ( 6.871 7.604 8.460) 13.289 3.449 ( 1.971 3.781 10.326) 11.172 3.684 ( 1.492 -0.512 0.400) 1.627 3.951 ( -4.153 4.164 -3.666) 6.930 4.336 ( 6.244 2.473 -3.616) 7.628 5.017 ( 3.809 1.407 2.320) 4.676 5.451 ( 8.319 0.675 8.456) 11.881 8.693 ( -6.477 -4.190 2.272) 8.041 10.477 ( 5.485 2.045 3.057) 6.604 10.840 ( -4.440 -6.641 -7.314) 10.831 12.585 ( -0.984 5.880 0.129) 5.963 14.253 ( 1.507 0.502 7.571) 7.736 14.920 ( -2.545 -5.869 -7.680) 9.995 ======================= Grid point 504 (95/165) ======================= q-point: ( 0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -6.610 4.347 -6.254) 10.085 2.884 ( -9.511 2.014 -13.070) 16.289 3.268 ( 6.570 3.792 10.613) 13.045 3.474 ( -2.170 0.653 8.683) 8.973 3.775 ( 5.353 3.630 -0.342) 6.477 3.897 ( -5.095 2.589 -5.510) 7.939 4.429 ( 2.924 0.129 -3.974) 4.935 5.047 ( -0.530 -1.188 1.898) 2.301 5.548 ( 3.651 -2.878 8.532) 9.716 8.620 ( 0.985 -0.323 2.413) 2.626 10.610 ( 3.747 0.924 3.777) 5.400 10.750 ( 3.615 -2.625 -7.460) 8.696 12.601 ( -3.367 4.569 0.425) 5.692 14.291 ( 1.828 1.177 7.598) 7.903 14.792 ( -4.589 -6.364 -8.707) 11.721 ======================= Grid point 506 (96/165) ======================= q-point: (-0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -9.665 4.705 -3.209) 11.218 2.696 ( -11.871 -0.658 -8.545) 14.641 3.343 ( -1.950 -3.013 4.283) 5.588 3.431 ( -1.145 3.255 7.436) 8.197 3.740 ( -7.389 -2.501 -7.777) 11.015 3.978 ( 5.786 6.060 1.373) 8.491 4.436 ( -1.410 -2.032 -2.322) 3.393 4.979 ( -4.769 -2.768 0.615) 5.548 5.517 ( -1.708 -6.246 7.981) 10.277 8.721 ( 8.446 3.501 1.967) 9.352 10.595 ( -0.746 -1.226 -0.578) 1.547 10.933 ( 13.365 0.902 -4.883) 14.258 12.560 ( -5.691 3.199 0.390) 6.540 14.335 ( 1.127 2.210 7.714) 8.103 14.645 ( -4.754 -5.954 -6.686) 10.137 ======================= Grid point 507 (97/165) ======================= q-point: (-0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -12.924 5.040 0.465) 13.879 2.474 ( -11.703 -2.156 -5.630) 13.165 3.188 ( -8.555 -5.289 -3.287) 10.581 3.465 ( -0.134 2.584 9.343) 9.695 3.554 ( -9.533 -4.223 -10.503) 14.799 4.118 ( 4.101 3.365 1.632) 5.550 4.323 ( -8.001 -4.618 2.122) 9.479 4.840 ( -7.509 -2.872 -1.531) 8.184 5.383 ( -4.666 -7.695 6.158) 10.904 8.968 ( 13.798 5.919 1.153) 15.059 10.607 ( 2.447 1.041 -0.584) 2.722 11.172 ( 14.047 -2.199 -8.697) 16.667 12.474 ( -7.344 2.744 -0.163) 7.842 14.372 ( -0.331 3.577 7.675) 8.475 14.517 ( -3.531 -4.865 -1.143) 6.119 ======================= Grid point 508 (98/165) ======================= q-point: (-0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -15.542 4.794 4.648) 16.916 2.239 ( -12.652 -3.115 -1.137) 13.079 2.971 ( -9.175 -5.893 -9.519) 14.475 3.332 ( -10.167 -5.197 -12.241) 16.739 3.472 ( -1.579 1.790 8.185) 8.526 4.027 ( -15.507 -8.001 8.828) 19.556 4.206 ( 0.242 1.510 -0.493) 1.607 4.658 ( -10.081 -3.438 -0.905) 10.690 5.243 ( -2.324 -5.721 1.250) 6.300 9.296 ( 16.061 6.092 0.525) 17.186 10.699 ( 5.107 3.567 -0.639) 6.262 11.368 ( 14.243 -7.952 -12.358) 20.465 12.371 ( -7.990 4.041 -1.711) 9.116 14.390 ( -2.274 2.186 -1.297) 3.411 14.436 ( -1.155 -0.232 15.899) 15.943 ======================= Grid point 509 (99/165) ======================= q-point: (-0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -16.587 4.448 9.175) 19.470 1.959 ( -15.463 -3.694 6.100) 17.029 2.765 ( -7.633 -5.772 -14.941) 17.743 3.102 ( -10.078 -5.322 -13.510) 17.675 3.445 ( -3.791 -0.264 7.693) 8.581 3.613 ( -20.925 -5.890 12.729) 25.191 4.191 ( -3.032 -1.599 -2.730) 4.382 4.422 ( -11.289 -3.738 0.615) 11.908 5.213 ( 3.547 -2.160 -3.223) 5.257 9.625 ( 15.201 3.628 0.778) 15.647 10.836 ( 4.295 5.759 -2.041) 7.468 11.515 ( 15.871 -14.342 -12.230) 24.641 12.285 ( -7.562 6.036 -4.618) 10.721 14.322 ( -4.057 -2.136 -0.070) 4.585 14.503 ( 3.657 8.289 23.826) 25.490 ======================= Grid point 510 (100/165) ======================= q-point: (-0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -15.886 4.560 13.563) 21.380 1.644 ( -16.110 -2.344 14.873) 22.051 2.583 ( -7.346 -5.075 -14.396) 16.940 2.853 ( -12.392 -8.163 -4.923) 15.634 3.121 ( -20.866 -2.647 5.436) 21.724 3.458 ( -3.289 3.655 6.504) 8.154 4.007 ( -12.735 -6.024 1.718) 14.192 4.289 ( -1.494 -0.046 -8.769) 8.895 5.317 ( 9.634 -0.227 -2.086) 9.860 9.877 ( 11.888 -1.304 2.363) 12.190 10.919 ( -3.356 6.480 -6.023) 9.462 11.651 ( 17.506 -15.985 -7.799) 24.956 12.222 ( -6.466 5.103 -7.054) 10.845 14.210 ( -6.699 -1.599 1.871) 7.137 14.772 ( 17.009 11.942 29.832) 36.357 ======================= Grid point 515 (101/165) ======================= q-point: ( 0.13 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 16.548 12.372 10.271) 23.074 1.933 ( 9.748 14.146 8.489) 19.162 2.643 ( -1.802 9.051 -14.433) 17.132 3.019 ( 4.138 11.006 -12.062) 16.845 3.409 ( 5.012 12.581 6.917) 15.207 3.601 ( 7.462 6.780 6.801) 12.162 4.133 ( 0.202 8.025 1.485) 8.164 4.392 ( 5.701 8.276 -0.051) 10.049 5.162 ( -5.241 -3.732 -4.127) 7.644 9.629 ( -9.638 -10.276 1.054) 14.128 10.982 ( 3.340 -9.640 0.545) 10.217 11.182 ( -20.553 -3.528 -10.155) 23.195 12.363 ( 4.110 5.096 -5.562) 8.590 14.271 ( -1.001 3.233 5.275) 6.267 14.723 ( 8.378 -9.156 16.058) 20.295 ======================= Grid point 516 (102/165) ======================= q-point: ( 0.20 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 11.474 10.646 4.791) 16.369 2.266 ( 13.440 12.947 5.508) 19.457 2.727 ( 0.122 11.934 -9.328) 15.148 3.202 ( 5.393 8.146 -17.367) 19.926 3.560 ( 4.378 2.905 7.021) 8.770 3.824 ( 5.999 11.782 5.340) 14.259 4.185 ( -1.585 4.860 3.048) 5.952 4.614 ( 8.075 9.553 4.398) 13.259 5.082 ( -0.746 -0.641 -3.104) 3.256 9.340 ( -11.255 -10.363 0.720) 15.316 10.723 ( -14.362 -6.191 1.683) 15.730 11.032 ( 0.298 -6.204 -8.425) 10.467 12.478 ( 2.488 6.661 -3.705) 8.017 14.260 ( -2.148 1.461 6.512) 7.011 14.811 ( 8.745 -5.955 5.473) 11.912 ======================= Grid point 517 (103/165) ======================= q-point: ( 0.27 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 4.393 6.910 -7.216) 10.914 2.601 ( 11.028 11.987 9.222) 18.718 2.913 ( 4.876 15.486 -3.569) 16.623 3.363 ( 3.863 7.270 -13.822) 16.088 3.630 ( 2.699 -1.328 6.458) 7.125 4.024 ( 4.132 8.870 1.333) 9.876 4.187 ( -2.447 4.470 2.510) 5.681 4.827 ( 6.174 6.655 4.255) 10.026 5.137 ( 6.763 0.624 1.503) 6.956 9.038 ( -11.454 -9.459 1.329) 14.914 10.490 ( -7.198 -1.971 1.716) 7.658 10.951 ( -1.391 -8.020 -5.807) 9.999 12.586 ( 1.371 7.935 -2.245) 8.360 14.240 ( -1.265 0.848 5.768) 5.965 14.875 ( 5.357 -6.502 -0.885) 8.471 ======================= Grid point 518 (104/165) ======================= q-point: ( 0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -1.904 6.984 -6.242) 9.558 2.895 ( 9.816 9.675 4.897) 14.627 3.138 ( 1.459 13.680 -6.029) 15.020 3.470 ( 1.017 5.203 2.781) 5.987 3.648 ( 2.031 -0.415 1.337) 2.467 4.089 ( -4.604 5.840 -1.475) 7.581 4.255 ( 5.160 3.021 -1.928) 6.283 4.962 ( 4.181 2.721 2.966) 5.803 5.290 ( 9.451 -0.736 5.541) 10.980 8.772 ( -8.661 -7.200 2.226) 11.481 10.429 ( 0.856 0.404 3.139) 3.279 10.830 ( -3.022 -7.837 -4.440) 9.500 12.679 ( -0.547 8.497 -1.294) 8.613 14.239 ( 0.352 0.733 5.175) 5.239 14.862 ( 1.337 -7.630 -5.204) 9.332 ======================= Grid point 519 (105/165) ======================= q-point: ( 0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -5.301 7.366 -3.165) 9.611 3.095 ( -3.378 10.082 -10.663) 15.058 3.202 ( 1.214 3.166 6.671) 7.483 3.516 ( -0.486 2.937 9.700) 10.147 3.736 ( 4.620 5.565 -0.414) 7.245 4.035 ( -6.612 3.720 -4.741) 8.946 4.363 ( 4.607 0.432 -3.891) 6.045 5.027 ( 1.696 -0.267 2.353) 2.913 5.415 ( 7.022 -4.200 6.626) 10.529 8.615 ( -2.523 -3.610 2.806) 5.222 10.513 ( 6.940 1.415 4.282) 8.276 10.703 ( -2.502 -6.643 -3.668) 7.990 12.729 ( -3.405 7.897 -0.758) 8.633 14.269 ( 1.891 1.370 4.869) 5.400 14.775 ( -1.805 -8.197 -7.493) 11.252 ======================= Grid point 520 (106/165) ======================= q-point: (-0.53 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -7.984 7.513 -0.060) 10.963 2.960 ( -15.389 5.175 -9.395) 18.758 3.309 ( 3.784 0.574 7.335) 8.274 3.506 ( -3.165 2.587 4.743) 6.262 3.830 ( -2.936 1.271 -2.278) 3.928 3.986 ( -0.419 5.820 -2.806) 6.475 4.415 ( 1.625 -1.355 -3.321) 3.938 5.015 ( -1.899 -1.642 1.368) 2.860 5.438 ( 2.403 -7.792 6.635) 10.513 8.621 ( 5.121 0.334 2.728) 5.812 10.592 ( -0.932 -2.459 1.200) 2.890 10.708 ( 11.138 -1.646 -0.864) 11.292 12.716 ( -6.205 6.352 -0.591) 8.900 14.330 ( 2.455 2.840 4.375) 5.765 14.646 ( -3.282 -7.785 -6.832) 10.865 ======================= Grid point 521 (107/165) ======================= q-point: (-0.47 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -10.612 7.774 3.071) 13.508 2.720 ( -16.373 3.086 -7.079) 18.103 3.272 ( -5.984 -3.442 -0.420) 6.916 3.504 ( -0.660 3.560 7.773) 8.575 3.685 ( -9.589 -3.164 -9.134) 13.616 4.093 ( 3.292 4.901 1.679) 6.138 4.382 ( -3.200 -2.992 -0.538) 4.414 4.935 ( -5.426 -1.028 -0.060) 5.523 5.350 ( -1.763 -9.818 5.886) 11.583 8.790 ( 11.677 3.126 1.988) 12.251 10.572 ( 1.621 -1.167 0.428) 2.043 10.901 ( 12.630 -3.642 -2.837) 13.447 12.647 ( -7.847 4.857 -0.986) 9.281 14.404 ( 1.607 4.091 1.966) 4.815 14.519 ( -2.991 -5.695 -1.061) 6.519 ======================= Grid point 522 (108/165) ======================= q-point: (-0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -14.392 8.511 7.019) 18.133 2.462 ( -15.400 1.243 -5.905) 16.540 3.081 ( -9.924 -5.177 -5.690) 12.556 3.466 ( -10.607 -4.389 -11.481) 16.235 3.524 ( -1.337 2.888 7.294) 7.958 4.136 ( -3.433 -2.700 3.617) 5.671 4.260 ( -5.368 -0.459 2.111) 5.786 4.806 ( -8.915 -0.434 0.440) 8.936 5.211 ( -2.317 -8.525 2.484) 9.177 9.068 ( 15.477 3.615 0.955) 15.922 10.632 ( 5.402 1.048 0.924) 5.580 11.053 ( 11.343 -8.186 -7.050) 15.664 12.552 ( -7.943 4.107 -2.259) 9.223 14.399 ( -1.340 -5.041 -2.679) 5.864 14.501 ( -0.405 7.559 9.736) 12.333 ======================= Grid point 523 (109/165) ======================= q-point: (-0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -18.477 8.678 9.785) 22.637 2.208 ( -14.987 0.259 -0.889) 15.016 2.849 ( -9.393 -6.132 -10.929) 15.661 3.236 ( -10.556 -3.825 -14.359) 18.227 3.516 ( -2.861 2.309 6.975) 7.885 3.886 ( -16.083 -5.435 8.624) 19.041 4.224 ( -2.029 -0.144 0.086) 2.036 4.607 ( -12.378 -1.356 3.159) 12.846 5.133 ( 1.348 -4.519 -2.647) 5.408 9.375 ( 16.006 1.285 0.351) 16.061 10.780 ( 8.620 3.494 1.700) 9.456 11.133 ( 10.154 -12.568 -10.304) 19.164 12.458 ( -7.096 3.259 -4.249) 8.889 14.331 ( -1.080 -4.108 3.518) 5.515 14.586 ( -0.373 10.783 10.941) 15.366 ======================= Grid point 531 (110/165) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 8.839 8.053 1.872) 12.103 2.534 ( 12.854 13.380 3.507) 18.882 2.988 ( 3.054 13.190 -6.300) 14.933 3.388 ( 2.815 10.321 -14.857) 18.308 3.578 ( 2.702 -0.202 7.032) 7.536 4.060 ( 1.732 9.638 3.835) 10.517 4.257 ( -0.044 2.762 1.916) 3.361 4.810 ( 5.620 9.090 5.379) 11.964 5.090 ( -1.413 1.609 -1.720) 2.746 9.100 ( -8.359 -13.079 0.935) 15.550 10.608 ( -8.123 -4.972 2.315) 9.801 10.928 ( -5.185 -4.599 -6.054) 9.203 12.608 ( 4.709 6.252 -3.150) 8.437 14.299 ( -3.455 2.458 2.765) 5.062 14.688 ( 8.007 -6.203 3.544) 10.731 ======================= Grid point 532 (111/165) ======================= q-point: ( 0.27 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 4.030 7.285 -3.421) 9.001 2.839 ( 8.146 11.167 8.646) 16.303 3.225 ( 6.589 14.789 -4.555) 16.819 3.518 ( 0.210 7.084 -7.811) 10.547 3.609 ( 2.288 0.259 3.367) 4.079 4.158 ( 1.815 3.778 -0.507) 4.223 4.273 ( -1.871 4.210 0.891) 4.692 4.952 ( 1.661 5.605 4.912) 7.635 5.135 ( 6.034 -0.866 1.011) 6.179 8.833 ( -8.105 -10.535 2.031) 13.446 10.461 ( -4.447 -0.985 3.087) 5.502 10.804 ( -3.054 -6.706 -2.191) 7.687 12.747 ( 2.814 7.836 -2.313) 8.642 14.269 ( -2.354 2.106 1.734) 3.604 14.728 ( 4.601 -7.819 -1.585) 9.210 ======================= Grid point 533 (112/165) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -1.951 8.133 -1.414) 8.483 3.066 ( 7.916 6.200 9.036) 13.519 3.405 ( -6.582 12.068 -11.208) 17.736 3.539 ( 1.532 2.695 9.219) 9.726 3.714 ( 4.979 6.353 -2.461) 8.439 4.167 ( -3.815 0.942 -3.966) 5.582 4.309 ( 1.934 3.083 -2.151) 4.228 5.003 ( 0.839 1.431 3.221) 3.623 5.239 ( 7.561 -4.206 3.667) 9.397 8.628 ( -4.687 -6.829 2.926) 8.784 10.439 ( 2.069 0.572 4.549) 5.030 10.684 ( -2.848 -6.619 0.070) 7.206 12.851 ( -0.523 8.288 -1.851) 8.508 14.267 ( -0.072 2.164 1.379) 2.567 14.693 ( 1.169 -8.728 -5.104) 10.178 ======================= Grid point 534 (113/165) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -5.919 7.823 1.661) 9.950 3.203 ( 1.386 -2.351 8.579) 9.002 3.324 ( -9.192 11.649 -6.190) 16.078 3.582 ( -2.174 3.800 1.516) 4.633 3.869 ( 2.698 6.302 2.996) 7.481 4.080 ( -4.917 0.293 -7.445) 8.927 4.370 ( 2.164 0.794 -3.367) 4.081 5.017 ( 0.126 -0.351 2.133) 2.165 5.290 ( 4.935 -7.720 4.469) 10.195 8.550 ( 1.629 -2.692 3.248) 4.522 10.531 ( 7.354 0.086 4.316) 8.527 10.582 ( -1.771 -4.967 1.741) 5.553 12.885 ( -4.664 7.073 -1.610) 8.624 14.314 ( 2.351 3.049 0.937) 3.962 14.604 ( -1.183 -8.362 -6.057) 10.393 ======================= Grid point 536 (114/165) ======================= q-point: (-0.53 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -8.227 6.375 3.080) 10.854 3.046 ( -13.911 1.639 0.833) 14.032 3.345 ( -3.827 4.606 -0.525) 6.012 3.560 ( -2.520 2.270 3.464) 4.848 3.816 ( -8.541 -2.824 -5.874) 10.744 4.101 ( 2.029 4.890 -0.932) 5.376 4.386 ( -0.341 -1.355 -1.912) 2.368 5.001 ( -2.186 0.827 1.046) 2.561 5.254 ( 1.135 -9.642 4.543) 10.719 8.630 ( 8.499 0.428 2.891) 8.987 10.525 ( 0.805 -3.863 1.720) 4.305 10.681 ( 9.470 -0.968 2.695) 9.894 12.835 ( -7.628 4.913 -1.620) 9.216 14.393 ( 2.444 1.463 -2.472) 3.771 14.508 ( -1.001 -3.598 -1.255) 3.940 ======================= Grid point 537 (115/165) ======================= q-point: (-0.47 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -9.629 4.624 2.650) 11.005 2.800 ( -16.916 3.513 1.126) 17.314 3.228 ( -11.053 -0.484 -3.814) 11.703 3.564 ( -0.200 2.165 6.635) 6.982 3.608 ( -10.299 -4.272 -11.096) 15.730 4.155 ( -0.481 1.098 1.381) 1.828 4.329 ( -3.624 -2.171 0.777) 4.295 4.949 ( -6.141 1.997 2.217) 6.827 5.157 ( -1.154 -7.812 2.395) 8.253 8.837 ( 13.528 1.257 1.958) 13.727 10.534 ( 4.204 -2.995 2.014) 5.540 10.823 ( 8.740 -2.931 -1.552) 9.348 12.731 ( -8.430 2.878 -2.164) 9.167 14.362 ( -0.899 -5.705 -2.841) 6.436 14.564 ( 2.272 7.664 3.307) 8.650 ======================= Grid point 548 (116/165) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 5.710 6.462 1.106) 8.694 3.033 ( 3.346 7.626 7.890) 11.472 3.470 ( 10.485 7.268 -0.173) 12.759 3.575 ( -0.614 2.825 0.948) 3.043 3.729 ( 0.551 9.288 -7.714) 12.086 4.169 ( 0.932 -2.375 -1.679) 3.054 4.353 ( -0.789 3.337 -1.203) 3.634 5.038 ( 0.491 2.067 4.037) 4.562 5.113 ( -0.102 -0.371 1.173) 1.234 8.635 ( -4.933 -8.493 2.903) 10.242 10.454 ( -2.786 0.415 3.875) 4.791 10.673 ( -3.560 -6.427 2.323) 7.705 12.894 ( 4.387 6.496 -2.180) 8.136 14.326 ( -3.306 3.353 -2.614) 5.386 14.571 ( 2.927 -7.319 -1.559) 8.035 ======================= Grid point 549 (117/165) ======================= q-point: ( 0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -1.403 7.911 2.775) 8.500 3.115 ( 3.463 -1.324 8.529) 9.300 3.532 ( -2.665 2.172 6.604) 7.445 3.706 ( -2.673 12.204 -9.162) 15.493 3.849 ( 6.346 6.066 0.515) 8.794 4.113 ( -2.388 -6.017 -5.512) 8.503 4.383 ( -0.204 3.595 -3.565) 5.067 5.026 ( -1.497 0.980 3.006) 3.498 5.136 ( 4.230 -5.369 2.334) 7.222 8.512 ( -1.319 -4.263 3.387) 5.603 10.455 ( 1.886 1.070 5.439) 5.855 10.564 ( -2.065 -5.087 4.258) 6.948 12.996 ( -0.167 5.562 -2.294) 6.019 14.327 ( -0.327 3.644 -2.113) 4.225 14.525 ( 0.658 -7.577 -4.415) 8.795 ======================= Grid point 550 (118/165) ======================= q-point: (-0.60 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -7.186 5.541 3.848) 9.856 3.128 ( 0.442 -4.091 7.389) 8.458 3.512 ( -3.670 5.253 6.041) 8.806 3.684 ( -9.062 6.597 -6.881) 13.153 3.913 ( -5.914 -3.880 -1.275) 7.187 4.078 ( 5.360 1.381 -5.308) 7.669 4.396 ( -1.400 1.001 -3.370) 3.784 5.031 ( 0.206 1.984 2.038) 2.852 5.134 ( 2.526 -6.691 3.013) 7.760 8.512 ( 4.361 -0.999 3.389) 5.613 10.479 ( -0.238 -3.111 4.150) 5.192 10.552 ( 5.325 0.390 5.536) 7.691 12.993 ( -5.106 3.136 -2.242) 6.398 14.371 ( 0.592 0.619 -3.456) 3.561 14.473 ( 1.698 -2.323 -3.113) 4.240 ======================= Grid point 564 (119/165) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -2.888 -5.776 5.881) 8.734 3.031 ( 2.888 5.776 5.881) 8.734 3.556 ( -0.000 -0.000 7.874) 7.874 3.929 ( -0.000 0.000 4.773) 4.773 3.936 ( -4.032 -8.063 -9.174) 12.862 3.936 ( 4.032 8.063 -9.174) 12.862 4.424 ( -0.000 -0.000 -4.818) 4.818 5.054 ( -1.011 -2.023 2.436) 3.324 5.054 ( 1.011 2.023 2.436) 3.324 8.467 ( -0.000 -0.000 3.507) 3.507 10.487 ( -1.018 -2.036 5.855) 6.282 10.487 ( 1.018 2.036 5.855) 6.282 13.056 ( -0.000 -0.000 -2.534) 2.534 14.406 ( -1.740 -3.479 -3.749) 5.403 14.406 ( 1.740 3.479 -3.749) 5.403 ======================= Grid point 723 (120/165) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 0.000 19.861) 19.861 1.598 ( 0.000 -0.000 19.861) 19.861 2.155 ( 0.000 0.000 -16.983) 16.983 2.155 ( 0.000 -0.000 -16.983) 16.983 2.709 ( 0.000 0.000 33.297) 33.297 3.486 ( 0.000 0.000 1.462) 1.462 3.486 ( 0.000 -0.000 1.462) 1.462 3.780 ( -0.000 0.000 -29.025) 29.025 6.231 ( -0.000 -0.000 2.624) 2.624 10.259 ( 0.000 0.000 3.536) 3.536 10.259 ( 0.000 -0.000 3.536) 3.536 11.966 ( 0.000 -0.000 -3.153) 3.153 11.966 ( 0.000 -0.000 -3.153) 3.153 13.896 ( -0.000 -0.000 0.351) 0.351 16.585 ( -0.000 0.000 1.044) 1.044 ======================= Grid point 724 (121/165) ======================= q-point: ( 0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.342 1.930 21.546) 21.889 1.709 ( 6.363 3.674 16.207) 17.795 2.121 ( 0.193 0.111 -13.090) 13.092 2.253 ( 5.078 2.932 -18.602) 19.504 2.831 ( 9.748 5.628 28.164) 30.330 3.509 ( 1.496 0.864 0.364) 1.765 3.579 ( 8.034 4.639 3.031) 9.760 3.809 ( 2.700 1.559 -26.230) 26.415 5.960 ( -19.545 -11.284 3.152) 22.788 10.176 ( -5.855 -3.380 5.263) 8.568 10.509 ( 16.236 9.374 -1.309) 18.793 11.871 ( -7.472 -4.314 -0.233) 8.631 12.010 ( 2.631 1.519 -4.672) 5.573 13.972 ( 6.032 3.482 0.396) 6.976 16.237 ( -26.101 -15.069 4.737) 30.509 ======================= Grid point 725 (122/165) ======================= q-point: ( 0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 9.138 5.276 19.815) 22.449 1.876 ( 7.432 4.291 6.865) 10.989 2.170 ( 4.293 2.479 -3.510) 6.074 2.382 ( 5.930 3.423 -21.232) 22.308 3.120 ( 14.157 8.174 20.695) 26.373 3.556 ( 2.515 1.452 -0.896) 3.039 3.819 ( 10.819 6.246 3.140) 12.881 3.929 ( 8.703 5.025 -17.081) 19.818 5.498 ( -17.796 -10.275 2.386) 20.688 9.993 ( -9.732 -5.619 5.454) 12.491 10.827 ( 8.535 4.928 -6.892) 12.026 11.622 ( -13.048 -7.533 5.918) 16.188 12.085 ( 3.796 2.192 -4.801) 6.501 14.137 ( 7.152 4.129 0.387) 8.268 15.599 ( -24.529 -14.162 6.202) 28.995 ======================= Grid point 726 (123/165) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 11.206 6.470 13.304) 18.559 2.025 ( 5.134 2.964 -6.758) 8.990 2.334 ( 9.740 5.623 10.488) 15.378 2.539 ( 7.969 4.601 -21.753) 23.619 3.456 ( 14.161 8.176 16.113) 22.957 3.623 ( 3.181 1.836 -2.319) 4.344 4.025 ( 7.406 4.276 -1.611) 8.703 4.221 ( 14.271 8.239 -3.367) 16.819 5.186 ( -8.333 -4.811 1.778) 9.785 9.731 ( -12.602 -7.276 4.552) 15.247 10.849 ( -6.419 -3.706 -7.189) 10.326 11.349 ( -8.729 -5.040 9.066) 13.557 12.184 ( 4.657 2.688 -3.898) 6.641 14.267 ( 3.705 2.139 0.736) 4.342 15.184 ( -11.274 -6.509 1.580) 13.113 ======================= Grid point 727 (124/165) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 3.344 1.931 -10.676) 11.353 2.240 ( 9.348 5.397 2.157) 11.008 2.600 ( 12.561 7.252 14.742) 20.681 2.770 ( 11.946 6.897 -14.709) 20.165 3.698 ( 3.089 1.784 -3.815) 5.223 3.764 ( 12.069 6.968 12.760) 18.895 4.139 ( 1.509 0.871 2.647) 3.169 4.532 ( 12.048 6.956 -3.113) 14.256 5.137 ( 4.162 2.403 3.999) 6.252 9.418 ( -13.963 -8.061 3.356) 16.468 10.639 ( -8.851 -5.110 0.355) 10.226 11.189 ( -6.406 -3.699 3.308) 8.103 12.299 ( 5.047 2.914 -2.611) 6.386 14.318 ( 1.099 0.635 1.704) 2.124 15.021 ( -4.167 -2.406 -3.959) 6.231 ======================= Grid point 728 (125/165) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.171 1.253 -9.571) 9.894 2.432 ( 7.285 4.206 -6.536) 10.653 2.898 ( 12.608 7.279 13.916) 20.140 3.073 ( 13.399 7.736 -6.743) 16.878 3.760 ( 2.011 1.161 -5.275) 5.764 3.987 ( 4.530 2.616 12.455) 13.509 4.119 ( 0.034 0.020 1.491) 1.491 4.786 ( 9.816 5.667 -2.732) 11.659 5.325 ( 10.230 5.906 6.192) 13.337 9.098 ( -13.095 -7.561 2.427) 15.315 10.499 ( -2.825 -1.631 3.977) 5.144 11.027 ( -7.462 -4.308 0.197) 8.618 12.413 ( 4.650 2.685 -1.420) 5.554 14.338 ( 0.929 0.536 2.665) 2.872 14.938 ( -3.664 -2.115 -7.592) 8.691 ======================= Grid point 729 (126/165) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 0.900 0.520 -7.348) 7.421 2.575 ( 4.729 2.730 -9.291) 10.777 3.172 ( 10.724 6.192 12.071) 17.293 3.373 ( 12.104 6.988 -2.435) 14.186 3.784 ( -0.075 -0.043 -6.526) 6.526 3.914 ( -6.466 -3.733 10.174) 12.620 4.232 ( 5.777 3.336 0.603) 6.698 4.981 ( 6.639 3.833 -1.090) 7.743 5.552 ( 8.501 4.908 5.933) 11.469 8.830 ( -9.449 -5.455 1.837) 11.064 10.503 ( 2.770 1.599 3.594) 4.811 10.852 ( -7.243 -4.182 -0.285) 8.368 12.507 ( 3.271 1.889 -0.511) 3.811 14.367 ( 1.539 0.888 3.532) 3.954 14.838 ( -4.865 -2.809 -8.754) 10.402 ======================= Grid point 730 (127/165) ======================= q-point: ( 0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.561 -0.324 -4.708) 4.753 2.638 ( 0.497 0.287 -7.498) 7.520 3.386 ( 7.409 4.278 9.733) 12.959 3.631 ( 9.826 5.673 -0.057) 11.346 3.750 ( -2.845 -1.643 -7.073) 7.798 3.752 ( -7.031 -4.059 7.033) 10.742 4.334 ( 2.830 1.634 -1.789) 3.726 5.083 ( 1.972 1.139 0.455) 2.322 5.697 ( 3.625 2.093 4.486) 6.136 8.678 ( -3.275 -1.891 1.303) 4.000 10.608 ( 5.582 3.223 -0.978) 6.519 10.703 ( -5.102 -2.946 1.278) 6.028 12.559 ( 1.050 0.606 0.146) 1.222 14.407 ( 1.754 1.013 4.210) 4.672 14.722 ( -4.740 -2.737 -7.005) 8.890 ======================= Grid point 731 (128/165) ======================= q-point: (-0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -2.123 -1.226 -1.670) 2.966 2.597 ( -3.797 -2.192 -3.384) 5.539 3.502 ( 1.634 0.944 2.928) 3.484 3.554 ( -9.005 -5.199 5.947) 11.978 3.662 ( -3.829 -2.211 -2.942) 5.311 3.860 ( 8.687 5.015 -2.258) 10.282 4.363 ( -0.346 -0.200 -4.340) 4.359 5.068 ( -3.217 -1.857 1.742) 4.103 5.714 ( -2.222 -1.283 2.923) 3.889 8.686 ( 3.948 2.279 0.579) 4.595 10.595 ( -2.942 -1.698 -1.092) 3.568 10.772 ( 7.187 4.150 -3.741) 9.103 12.553 ( -1.535 -0.886 0.657) 1.890 14.431 ( -0.130 -0.075 2.355) 2.360 14.644 ( -1.310 -0.756 -0.341) 1.550 ======================= Grid point 732 (129/165) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -3.638 -2.100 1.832) 4.583 2.477 ( -6.153 -3.552 0.283) 7.110 3.315 ( -11.659 -6.731 2.678) 13.726 3.408 ( -8.273 -4.776 -10.900) 14.494 3.633 ( 0.286 0.165 8.062) 8.069 4.040 ( 6.625 3.825 -2.104) 7.934 4.317 ( -3.605 -2.081 -6.629) 7.828 4.938 ( -7.736 -4.467 2.540) 9.287 5.599 ( -7.327 -4.230 1.538) 8.599 8.854 ( 10.151 5.861 -0.353) 11.727 10.558 ( -0.200 -0.116 -2.147) 2.159 10.947 ( 7.738 4.468 -8.250) 12.161 12.490 ( -3.859 -2.228 1.137) 4.598 14.402 ( -1.866 -1.077 -0.663) 2.254 14.662 ( 2.277 1.315 8.331) 8.736 ======================= Grid point 733 (130/165) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -4.942 -2.853 5.809) 8.143 2.328 ( -6.368 -3.677 2.972) 7.931 3.013 ( -14.160 -8.175 -0.523) 16.359 3.180 ( -10.857 -6.268 -13.698) 18.569 3.628 ( -0.908 -0.524 7.712) 7.783 4.149 ( 1.068 0.617 -1.567) 1.994 4.196 ( -5.819 -3.360 -6.206) 9.147 4.726 ( -9.983 -5.764 1.905) 11.684 5.395 ( -9.515 -5.493 -0.198) 10.988 9.139 ( 13.907 8.029 -1.379) 16.118 10.589 ( 2.874 1.660 -4.032) 5.222 11.133 ( 8.305 4.795 -10.085) 13.916 12.380 ( -5.386 -3.110 1.650) 6.435 14.362 ( -1.523 -0.879 -0.702) 1.893 14.729 ( 3.377 1.950 13.042) 13.613 ======================= Grid point 734 (131/165) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -5.796 -3.346 10.173) 12.177 2.189 ( -5.578 -3.220 7.015) 9.523 2.670 ( -14.768 -8.526 -5.093) 17.797 2.918 ( -11.352 -6.554 -15.706) 20.457 3.594 ( -1.848 -1.067 6.424) 6.769 3.954 ( -12.708 -7.337 -2.166) 14.833 4.141 ( -4.498 -2.597 -0.155) 5.196 4.499 ( -9.522 -5.497 -0.780) 11.022 5.211 ( -4.674 -2.699 -2.615) 5.997 9.479 ( 14.800 8.545 -2.253) 17.237 10.686 ( 5.062 2.923 -3.726) 6.932 11.336 ( 9.173 5.296 -11.138) 15.371 12.247 ( -5.818 -3.359 2.110) 7.042 14.326 ( -1.754 -1.013 -0.031) 2.025 14.829 ( 5.784 3.339 15.261) 16.658 ======================= Grid point 735 (132/165) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -5.754 -3.322 14.597) 16.038 2.060 ( -5.900 -3.406 16.871) 18.195 2.355 ( -11.540 -6.663 -14.077) 19.383 2.662 ( -10.517 -6.072 -17.389) 21.210 3.548 ( -1.936 -1.118 5.049) 5.522 3.597 ( -17.363 -10.025 8.412) 21.743 3.989 ( -7.510 -4.336 -6.794) 11.017 4.246 ( -12.544 -7.242 -2.652) 14.725 5.234 ( 6.863 3.962 -2.523) 8.317 9.807 ( 13.046 7.532 -2.492) 15.269 10.785 ( 2.185 1.261 -0.607) 2.595 11.562 ( 10.151 5.861 -12.111) 16.854 12.118 ( -5.092 -2.940 2.165) 6.266 14.263 ( -4.053 -2.340 0.664) 4.727 15.047 ( 14.263 8.235 15.402) 22.549 ======================= Grid point 736 (133/165) ======================= q-point: (-0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -4.270 -2.466 18.351) 19.002 1.895 ( -8.062 -4.655 23.468) 25.247 2.167 ( -4.580 -2.644 -18.831) 19.560 2.436 ( -8.680 -5.011 -18.415) 20.965 3.183 ( -17.247 -9.957 18.485) 27.172 3.509 ( -1.370 -0.791 3.719) 4.042 3.809 ( -8.455 -4.881 -6.981) 12.002 3.957 ( -10.381 -5.994 -11.842) 16.850 5.515 ( 16.775 9.685 0.784) 19.386 10.070 ( 9.192 5.307 -1.507) 10.720 10.732 ( -7.441 -4.296 1.810) 8.780 11.787 ( 8.445 4.876 -9.922) 13.912 12.018 ( -3.363 -1.942 1.279) 4.088 14.131 ( -6.995 -4.038 0.831) 8.119 15.537 ( 27.602 15.936 12.582) 34.266 ======================= Grid point 737 (134/165) ======================= q-point: (-0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.153 -0.666 20.386) 20.430 1.716 ( -6.793 -3.922 19.726) 21.229 2.118 ( -0.031 -0.018 -15.218) 15.218 2.263 ( -6.116 -3.531 -18.425) 19.732 2.842 ( -11.013 -6.358 28.034) 30.784 3.487 ( -0.501 -0.289 2.531) 2.597 3.595 ( -8.256 -4.767 0.270) 9.537 3.812 ( -3.049 -1.760 -25.836) 26.075 5.962 ( 19.258 11.118 2.950) 22.432 10.226 ( 4.096 2.365 0.817) 4.800 10.457 ( -14.111 -8.147 3.318) 16.629 11.932 ( 3.878 2.239 -5.793) 7.322 11.966 ( -1.089 -0.629 -0.754) 1.466 13.970 ( -5.885 -3.398 0.514) 6.815 16.226 ( 27.342 15.786 5.783) 32.097 ======================= Grid point 739 (135/165) ======================= q-point: ( 0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.221 4.254 19.190) 20.617 1.843 ( 4.440 8.829 17.704) 20.275 2.140 ( 1.529 2.355 -13.045) 13.344 2.365 ( 2.491 7.605 -19.329) 20.920 3.057 ( 6.949 15.884 21.852) 27.894 3.521 ( 2.538 0.975 1.443) 3.077 3.754 ( 5.853 10.462 -0.003) 11.988 3.889 ( 3.366 7.396 -18.921) 20.592 5.620 ( -11.501 -18.942 2.183) 22.267 10.086 ( -7.421 -6.680 2.517) 10.297 10.725 ( 9.920 9.810 -1.766) 14.063 11.742 ( -11.203 -8.972 -1.104) 14.395 12.053 ( 4.306 3.237 -3.454) 6.399 14.090 ( 4.496 7.397 0.576) 8.675 15.738 ( -14.886 -29.616 8.810) 34.297 ======================= Grid point 740 (136/165) ======================= q-point: ( 0.13 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 9.992 6.059 13.185) 17.618 2.028 ( 4.878 10.456 8.322) 14.226 2.236 ( 6.371 4.364 -2.332) 8.067 2.494 ( 3.836 7.440 -20.749) 22.374 3.363 ( 9.323 14.796 16.782) 24.238 3.588 ( 3.310 2.163 -0.608) 4.000 3.952 ( 6.677 6.367 -4.794) 10.397 4.114 ( 9.871 12.857 -4.404) 16.796 5.273 ( -9.722 -10.640 0.908) 14.441 9.852 ( -10.235 -8.624 3.160) 13.752 10.897 ( 1.340 2.060 -6.554) 7.000 11.408 ( -11.416 -13.444 5.505) 18.476 12.166 ( 3.440 5.500 -3.521) 7.381 14.235 ( 3.949 5.002 0.616) 6.403 15.264 ( -10.533 -16.832 6.076) 20.765 ======================= Grid point 741 (137/165) ======================= q-point: ( 0.20 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 6.901 5.034 -1.219) 8.628 2.212 ( 3.684 12.131 1.702) 12.792 2.463 ( 12.102 7.407 10.995) 17.950 2.667 ( 7.724 7.991 -18.289) 21.402 3.627 ( 6.422 4.364 6.528) 10.144 3.705 ( 5.938 9.758 4.773) 12.380 4.114 ( 4.623 4.342 -1.233) 6.461 4.427 ( 10.413 11.738 -1.129) 15.732 5.101 ( -0.911 -3.369 1.590) 3.835 9.563 ( -12.275 -9.330 2.734) 15.659 10.784 ( -11.767 -2.402 -3.124) 12.410 11.173 ( -1.318 -11.575 4.847) 12.618 12.282 ( 3.003 6.426 -2.830) 7.637 14.312 ( 0.997 2.034 1.350) 2.637 15.032 ( -3.038 -7.923 0.018) 8.485 ======================= Grid point 742 (138/165) ======================= q-point: ( 0.27 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 1.865 6.662 -7.366) 10.105 2.398 ( 4.112 10.284 -3.845) 11.724 2.766 ( 12.125 9.093 13.225) 20.115 2.932 ( 12.296 8.998 -10.677) 18.605 3.717 ( 3.238 0.380 -1.772) 3.711 3.934 ( 6.942 8.803 9.249) 14.534 4.164 ( -2.377 1.818 2.123) 3.669 4.691 ( 8.375 8.423 -2.409) 12.120 5.183 ( 9.856 1.777 4.619) 11.028 9.248 ( -13.002 -8.742 2.156) 15.815 10.573 ( -7.924 -1.743 2.884) 8.611 11.047 ( -2.356 -9.163 0.533) 9.476 12.399 ( 2.791 6.627 -1.917) 7.442 14.330 ( 0.253 0.390 2.351) 2.397 14.942 ( -1.071 -5.257 -5.121) 7.417 ======================= Grid point 743 (139/165) ======================= q-point: ( 0.33 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -1.493 8.734 -5.824) 10.603 2.556 ( 3.143 8.229 -9.438) 12.910 3.055 ( 10.779 8.123 11.825) 17.945 3.246 ( 12.234 9.311 -4.279) 15.959 3.754 ( 1.468 -1.548 -2.542) 3.319 4.031 ( -5.605 2.541 8.055) 10.137 4.171 ( 4.164 3.750 0.899) 5.675 4.898 ( 7.379 5.188 -1.656) 9.171 5.405 ( 11.799 1.820 5.673) 13.219 8.951 ( -11.278 -7.003 1.798) 13.397 10.493 ( -0.798 0.643 4.416) 4.534 10.901 ( -4.579 -7.255 -0.581) 8.599 12.507 ( 1.859 6.374 -1.030) 6.719 14.342 ( 1.270 -0.283 3.099) 3.362 14.861 ( -2.375 -5.279 -7.844) 9.748 ======================= Grid point 744 (140/165) ======================= q-point: ( 0.40 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -4.467 10.015 -3.433) 11.491 2.659 ( 0.163 5.723 -10.149) 11.653 3.295 ( 8.534 5.713 10.196) 14.471 3.532 ( 9.991 8.847 -1.204) 13.399 3.730 ( -1.206 -4.020 -0.468) 4.223 3.912 ( -9.007 2.110 2.546) 9.595 4.285 ( 4.357 1.687 -0.429) 4.692 5.041 ( 4.408 1.994 -0.198) 4.842 5.593 ( 8.601 -0.940 4.795) 9.892 8.735 ( -6.502 -4.023 1.553) 7.802 10.543 ( 4.323 2.020 2.236) 5.269 10.753 ( -4.835 -5.039 0.143) 6.985 12.584 ( -0.128 5.570 -0.293) 5.580 14.371 ( 2.406 -0.494 3.725) 4.462 14.754 ( -3.470 -5.346 -7.870) 10.127 ======================= Grid point 745 (141/165) ======================= q-point: ( 0.47 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -7.176 10.511 -1.180) 12.782 2.666 ( -4.186 2.424 -6.724) 8.283 3.457 ( 4.718 2.100 7.116) 8.792 3.634 ( -4.598 -3.783 4.530) 7.482 3.744 ( -2.170 2.550 -1.654) 3.735 3.800 ( 1.250 5.876 -3.332) 6.869 4.346 ( 1.856 -0.338 -3.009) 3.551 5.083 ( -0.190 -1.025 1.126) 1.535 5.673 ( 3.420 -4.434 3.356) 6.529 8.659 ( 0.423 -0.127 1.131) 1.214 10.623 ( -1.512 -2.350 -2.858) 3.997 10.683 ( 5.046 1.606 1.401) 5.478 12.609 ( -2.747 4.202 0.291) 5.029 14.408 ( 2.134 -0.864 3.342) 4.058 14.651 ( -2.110 -4.017 -4.226) 6.201 ======================= Grid point 747 (142/165) ======================= q-point: (-0.47 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -9.594 10.254 0.954) 14.075 2.572 ( -7.183 -0.425 -1.945) 7.454 3.415 ( -7.158 -6.305 1.623) 9.677 3.532 ( -8.209 -0.285 -2.951) 8.728 3.641 ( -1.595 -0.056 3.818) 4.138 3.981 ( 6.125 6.803 -1.596) 9.292 4.342 ( -1.248 -1.633 -5.424) 5.800 5.014 ( -5.144 -3.229 2.108) 6.429 5.622 ( -2.129 -7.555 2.064) 8.116 8.747 ( 7.435 3.600 0.428) 8.272 10.568 ( -1.256 -0.850 -1.294) 1.994 10.829 ( 8.263 1.163 -5.438) 9.960 12.573 ( -5.258 2.628 0.748) 5.925 14.409 ( -0.439 -1.878 -0.204) 1.939 14.625 ( 2.077 -1.058 4.297) 4.888 ======================= Grid point 748 (143/165) ======================= q-point: (-0.40 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -11.441 8.777 3.163) 14.763 2.428 ( -7.813 -1.257 2.040) 8.172 3.169 ( -12.472 -7.376 0.880) 14.517 3.318 ( -11.570 -4.728 -11.720) 17.134 3.644 ( -0.550 0.825 7.445) 7.511 4.127 ( 3.645 4.386 -0.839) 5.764 4.267 ( -5.028 -2.596 -6.832) 8.871 4.850 ( -9.153 -3.636 2.300) 10.114 5.458 ( -6.263 -9.412 0.753) 11.330 8.976 ( 12.659 5.925 -0.480) 13.985 10.572 ( 1.356 1.632 -2.869) 3.568 10.985 ( 9.508 -1.057 -8.237) 12.624 12.485 ( -7.059 1.518 1.047) 7.296 14.376 ( -1.043 -1.189 -1.289) 2.041 14.679 ( 3.806 0.459 10.227) 10.922 ======================= Grid point 749 (144/165) ======================= q-point: (-0.33 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -11.895 5.926 6.021) 14.589 2.288 ( -7.493 0.240 5.549) 9.327 2.847 ( -14.935 -8.085 -1.992) 17.099 3.054 ( -11.887 -6.395 -14.485) 19.799 3.626 ( -2.047 0.351 6.449) 6.775 4.102 ( -10.295 -3.799 -4.688) 11.933 4.177 ( -1.302 -0.078 0.406) 1.366 4.645 ( -10.803 -1.565 0.856) 10.950 5.249 ( -5.858 -8.474 -1.314) 10.385 9.286 ( 15.310 6.150 -1.412) 16.559 10.650 ( 3.911 4.660 -3.878) 7.215 11.140 ( 11.509 -4.467 -8.659) 15.080 12.366 ( -7.924 1.468 1.023) 8.123 14.352 ( -1.295 -0.014 -0.712) 1.478 14.761 ( 4.768 1.422 12.945) 13.868 ======================= Grid point 750 (145/165) ======================= q-point: (-0.27 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -11.052 3.805 10.026) 15.400 2.167 ( -7.634 1.537 11.613) 13.982 2.507 ( -14.086 -7.557 -8.028) 17.888 2.786 ( -11.074 -6.399 -16.653) 20.997 3.585 ( -2.850 0.039 5.456) 6.155 3.819 ( -16.235 -5.821 3.580) 17.615 4.087 ( -6.826 -2.093 -3.669) 8.028 4.425 ( -13.420 -2.194 -0.393) 13.604 5.152 ( 2.785 -2.876 -2.912) 4.950 9.613 ( 15.471 4.290 -1.824) 16.158 10.781 ( 3.308 6.477 -2.362) 7.646 11.306 ( 15.037 -7.598 -8.250) 18.759 12.245 ( -7.957 2.292 0.336) 8.287 14.318 ( -3.058 0.091 0.146) 3.063 14.898 ( 9.226 3.665 13.497) 16.755 ======================= Grid point 751 (146/165) ======================= q-point: (-0.20 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -9.504 3.179 14.744) 17.827 2.030 ( -9.903 0.165 21.578) 23.743 2.244 ( -8.170 -3.854 -17.148) 19.382 2.549 ( -9.529 -4.648 -18.507) 21.329 3.423 ( -18.002 -6.186 14.136) 23.710 3.556 ( -4.091 1.156 2.571) 4.968 3.933 ( -8.557 -0.912 -8.142) 11.847 4.133 ( -15.286 -3.678 -3.851) 16.187 5.292 ( 13.523 1.275 -0.857) 13.610 9.895 ( 13.422 0.889 -0.722) 13.471 10.841 ( -3.619 4.005 -0.937) 5.478 11.522 ( 17.560 -6.807 -5.625) 19.655 12.138 ( -7.204 2.647 -1.240) 7.774 14.233 ( -6.532 -0.674 0.693) 6.604 15.203 ( 20.904 6.282 12.210) 25.010 ======================= Grid point 756 (147/165) ======================= q-point: ( 0.13 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 8.999 7.737 6.118) 13.353 2.246 ( 9.517 8.889 17.077) 21.476 2.383 ( 3.466 11.849 -9.771) 15.745 2.679 ( 2.116 10.843 -17.831) 20.976 3.591 ( 3.057 3.995 5.828) 7.699 3.729 ( 5.107 14.546 6.256) 16.638 4.077 ( 4.719 5.886 -5.304) 9.223 4.401 ( 8.228 14.593 0.647) 16.765 5.106 ( -4.672 -5.266 -1.320) 7.163 9.641 ( -8.701 -12.196 0.263) 14.984 10.907 ( 1.655 -1.842 -4.147) 4.830 11.124 ( -14.097 -12.843 0.794) 19.086 12.286 ( 4.570 6.106 -2.002) 7.885 14.319 ( 1.442 2.972 0.777) 3.394 14.976 ( -2.138 -11.265 7.017) 13.442 ======================= Grid point 757 (148/165) ======================= q-point: ( 0.20 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.879 7.887 -2.019) 10.042 2.490 ( 3.116 14.699 4.349) 15.643 2.635 ( 12.961 9.777 4.953) 16.974 2.858 ( 6.337 10.822 -14.471) 19.149 3.669 ( 2.964 1.293 2.103) 3.858 3.943 ( 3.838 11.737 6.896) 14.144 4.193 ( 2.298 3.328 -1.864) 4.453 4.676 ( 6.374 12.432 1.041) 14.009 5.054 ( 3.508 -1.234 0.550) 3.759 9.355 ( -10.319 -11.245 0.765) 15.281 10.743 ( -13.539 -2.427 0.718) 13.774 10.939 ( 2.701 -10.098 -0.807) 10.484 12.422 ( 3.408 7.145 -1.846) 8.129 14.340 ( -0.637 0.643 1.805) 2.019 14.879 ( 0.556 -7.187 0.365) 7.218 ======================= Grid point 758 (149/165) ======================= q-point: ( 0.27 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 3.126 9.614 -2.826) 10.497 2.659 ( -0.776 15.535 -5.323) 16.440 2.960 ( 11.228 9.938 9.667) 17.841 3.124 ( 11.997 9.757 -8.792) 17.788 3.715 ( 1.660 -0.540 0.749) 1.900 4.095 ( 2.380 6.787 6.042) 9.393 4.210 ( -2.966 2.584 -0.013) 3.934 4.859 ( 3.729 8.060 -0.827) 8.920 5.198 ( 11.890 -0.344 3.627) 12.436 9.064 ( -10.625 -9.496 1.107) 14.293 10.553 ( -6.012 -0.687 4.088) 7.302 10.868 ( -0.738 -7.700 -1.678) 7.915 12.549 ( 2.358 7.980 -1.419) 8.441 14.328 ( -0.342 -0.636 2.636) 2.733 14.818 ( 0.004 -6.783 -4.531) 8.157 ======================= Grid point 759 (150/165) ======================= q-point: ( 0.33 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -0.720 11.939 0.589) 11.976 2.777 ( -3.051 14.110 -11.333) 18.353 3.212 ( 8.024 7.004 8.737) 13.776 3.442 ( 12.019 9.963 -3.088) 15.915 3.712 ( -0.406 -2.307 1.044) 2.565 4.092 ( -7.767 3.094 2.289) 8.668 4.235 ( 2.895 2.379 0.621) 3.798 4.988 ( 4.053 3.578 -0.419) 5.423 5.395 ( 11.340 -2.780 3.955) 12.327 8.812 ( -8.169 -6.849 1.414) 10.754 10.512 ( 0.668 0.993 4.085) 4.257 10.766 ( -2.873 -5.654 -0.729) 6.384 12.657 ( 0.409 8.201 -0.877) 8.257 14.326 ( 1.355 -1.229 2.986) 3.502 14.734 ( -1.558 -7.089 -6.679) 9.864 ======================= Grid point 760 (151/165) ======================= q-point: ( 0.40 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -5.049 13.476 4.329) 15.028 2.820 ( -7.092 11.076 -12.808) 18.358 3.383 ( 6.016 2.335 7.745) 10.081 3.661 ( -2.356 -2.222 2.165) 3.896 3.725 ( 8.470 10.070 -0.299) 13.162 3.955 ( -10.104 1.484 -1.678) 10.350 4.300 ( 2.779 0.032 -1.457) 3.138 5.061 ( 1.887 0.090 0.616) 1.987 5.517 ( 7.642 -6.353 3.072) 10.402 8.663 ( -2.600 -3.232 1.521) 4.418 10.572 ( 4.075 0.591 0.377) 4.135 10.670 ( -2.323 -2.893 1.505) 4.004 12.719 ( -2.548 7.393 -0.298) 7.825 14.350 ( 2.751 -1.347 2.802) 4.151 14.633 ( -1.735 -6.425 -5.700) 8.762 ======================= Grid point 761 (152/165) ======================= q-point: (-0.53 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -8.481 13.631 6.847) 17.453 2.747 ( -11.563 7.218 -9.736) 16.751 3.437 ( -0.785 -3.656 3.489) 5.115 3.617 ( -1.218 1.498 4.870) 5.239 3.749 ( -11.152 -1.423 -3.838) 11.880 3.961 ( 5.611 8.672 -0.669) 10.351 4.328 ( 1.004 -1.112 -3.977) 4.250 5.050 ( -2.014 -1.902 1.501) 3.150 5.528 ( 2.721 -9.515 2.081) 10.113 8.666 ( 4.413 0.611 1.269) 4.632 10.577 ( -1.113 -1.810 -1.092) 2.389 10.706 ( 6.081 0.341 -0.746) 6.136 12.714 ( -5.599 5.667 0.210) 7.969 14.378 ( 1.621 -1.929 0.215) 2.529 14.571 ( 1.336 -3.618 -0.085) 3.858 ======================= Grid point 762 (153/165) ======================= q-point: (-0.47 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -9.890 11.014 8.642) 17.141 2.580 ( -14.592 6.033 -6.035) 16.904 3.293 ( -9.073 -5.701 1.579) 10.831 3.487 ( -12.730 -4.330 -8.504) 15.910 3.656 ( 0.412 1.297 5.569) 5.732 4.118 ( 3.450 6.131 0.481) 7.052 4.309 ( -1.967 -1.339 -5.558) 6.046 4.959 ( -6.082 -1.420 1.892) 6.526 5.425 ( -2.141 -11.501 1.226) 11.762 8.820 ( 10.497 3.302 0.697) 11.026 10.564 ( 0.872 0.320 -1.186) 1.506 10.817 ( 7.206 -2.123 -4.730) 8.877 12.643 ( -7.700 3.790 0.431) 8.593 14.368 ( 0.172 -2.004 -1.959) 2.808 14.607 ( 4.346 -0.435 5.957) 7.386 ======================= Grid point 763 (154/165) ======================= q-point: (-0.40 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -13.455 2.639 -2.453) 13.929 2.490 ( -12.045 11.511 9.680) 19.269 3.025 ( -13.926 -6.873 0.643) 15.543 3.206 ( -12.753 -6.304 -12.981) 19.259 3.664 ( -1.163 1.092 5.246) 5.483 4.188 ( -0.767 0.138 1.365) 1.571 4.228 ( -5.432 -0.178 -4.747) 7.216 4.826 ( -9.189 1.889 1.747) 9.542 5.241 ( -4.733 -11.433 -0.119) 12.375 9.077 ( 14.238 3.762 -0.094) 14.727 10.624 ( 4.201 3.293 -2.103) 5.737 10.908 ( 7.789 -5.950 -5.707) 11.342 12.532 ( -8.416 2.553 0.141) 8.796 14.358 ( 0.279 -0.758 -1.068) 1.339 14.692 ( 4.689 1.313 8.036) 9.397 ======================= Grid point 764 (155/165) ======================= q-point: (-0.33 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -12.349 2.785 1.128) 12.709 2.383 ( -11.998 9.200 11.949) 19.271 2.691 ( -15.340 -7.349 -3.266) 17.320 2.926 ( -12.100 -5.818 -15.287) 20.346 3.640 ( -2.620 1.040 4.394) 5.221 4.020 ( -12.019 -4.377 2.767) 13.087 4.176 ( -4.387 0.499 -2.750) 5.202 4.661 ( -13.165 2.113 2.023) 13.486 5.086 ( -0.769 -6.376 -2.082) 6.751 9.370 ( 15.536 1.863 -0.632) 15.660 10.777 ( 6.338 7.555 -2.006) 10.064 10.974 ( 10.149 -10.899 -4.460) 15.546 12.409 ( -8.121 1.867 -0.735) 8.365 14.353 ( -0.663 -0.172 0.132) 0.698 14.802 ( 5.810 3.001 8.042) 10.365 ======================= Grid point 772 (156/165) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 5.814 9.723 -1.958) 11.496 2.743 ( 15.618 9.527 11.968) 21.861 2.891 ( 3.292 15.578 -2.978) 16.198 3.095 ( 3.489 12.498 -12.987) 18.359 3.687 ( 1.590 0.351 2.973) 3.390 4.141 ( 0.547 7.141 3.991) 8.199 4.246 ( 1.596 2.080 -2.427) 3.573 4.899 ( 6.693 8.374 2.755) 11.069 5.063 ( -0.578 3.051 -0.850) 3.219 9.114 ( -7.524 -12.440 0.396) 14.543 10.655 ( -6.433 -5.611 1.848) 8.734 10.814 ( -2.046 -2.902 -3.952) 5.313 12.566 ( 4.706 7.142 -0.995) 8.610 14.340 ( -1.417 -0.488 1.133) 1.879 14.743 ( 0.424 -6.390 1.531) 6.584 ======================= Grid point 773 (157/165) ======================= q-point: ( 0.27 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 4.355 10.602 -0.609) 11.477 3.001 ( -0.756 17.085 1.816) 17.198 3.157 ( 8.848 9.680 3.363) 13.538 3.315 ( 10.838 9.024 -9.397) 16.947 3.697 ( 0.115 -1.205 2.249) 2.554 4.194 ( -0.513 2.710 3.810) 4.703 4.261 ( -2.032 2.340 -1.812) 3.590 5.008 ( -1.196 6.430 0.477) 6.558 5.170 ( 10.333 -2.343 2.029) 10.788 8.867 ( -7.446 -9.844 1.092) 12.391 10.537 ( -2.898 -0.820 3.633) 4.719 10.752 ( -1.640 -4.028 -1.963) 4.771 12.713 ( 3.088 8.061 -1.010) 8.691 14.310 ( -0.836 -0.936 1.766) 2.166 14.675 ( -0.405 -7.291 -3.093) 7.930 ======================= Grid point 774 (158/165) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 0.716 11.029 2.611) 11.357 3.116 ( -6.634 18.478 -7.085) 20.872 3.313 ( 3.630 2.424 5.259) 6.835 3.639 ( 13.245 9.203 -2.558) 16.330 3.675 ( -0.975 -0.967 1.867) 2.318 4.132 ( -7.961 0.075 0.316) 7.968 4.272 ( 0.823 1.727 -0.764) 2.060 5.042 ( 0.431 1.893 0.539) 2.015 5.302 ( 9.045 -6.116 2.142) 11.127 8.677 ( -4.360 -6.400 1.512) 7.890 10.529 ( 1.468 0.733 3.208) 3.603 10.679 ( -2.209 -3.183 0.250) 3.883 12.824 ( 0.024 7.966 -0.841) 8.010 14.302 ( 1.119 -0.882 1.738) 2.248 14.585 ( -1.060 -7.462 -4.799) 8.935 ======================= Grid point 775 (159/165) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -4.527 8.910 5.069) 11.206 3.122 ( -13.422 17.418 -8.549) 23.592 3.374 ( 3.735 -2.747 5.417) 7.131 3.651 ( -1.360 0.796 2.501) 2.956 3.927 ( 7.003 9.415 1.264) 11.802 3.943 ( -9.981 -3.307 -3.983) 11.244 4.302 ( 1.027 0.523 -2.463) 2.719 5.054 ( -0.129 -0.404 1.087) 1.167 5.354 ( 5.724 -9.323 1.636) 11.062 8.604 ( 1.492 -2.527 1.620) 3.352 10.565 ( 0.798 -0.877 0.188) 1.200 10.638 ( 1.488 -0.643 2.303) 2.816 12.864 ( -3.969 6.440 -0.476) 7.580 14.327 ( 2.170 -0.826 0.310) 2.343 14.507 ( 0.567 -5.656 -2.797) 6.335 ======================= Grid point 777 (160/165) ======================= q-point: (-0.53 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -9.059 3.659 2.824) 10.169 3.028 ( -16.123 16.572 -0.540) 23.127 3.357 ( -3.161 -3.183 1.817) 4.840 3.643 ( -3.802 -0.920 0.929) 4.021 3.681 ( -9.216 -4.114 -3.839) 10.798 4.120 ( 4.211 6.382 1.751) 7.844 4.314 ( 0.066 -0.262 -4.226) 4.235 5.031 ( -2.493 0.767 1.394) 2.958 5.313 ( 1.460 -11.063 1.171) 11.220 8.678 ( 7.816 0.485 1.420) 7.959 10.549 ( 0.077 -1.100 0.596) 1.254 10.700 ( 4.671 -0.711 -0.836) 4.798 12.817 ( -7.230 4.097 -0.185) 8.313 14.336 ( 0.720 -2.108 -2.094) 3.057 14.520 ( 4.689 -1.076 1.711) 5.105 ======================= Grid point 778 (161/165) ======================= q-point: (-0.47 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -11.439 0.474 -0.688) 11.470 2.903 ( -16.543 14.959 7.280) 23.461 3.189 ( -11.537 -4.636 1.494) 12.523 3.364 ( -12.668 -7.026 -12.173) 18.921 3.681 ( 0.483 0.992 3.658) 3.821 4.201 ( 0.305 1.625 2.777) 3.231 4.292 ( -2.193 -0.584 -3.939) 4.546 4.990 ( -5.452 4.808 1.764) 7.480 5.189 ( -2.477 -10.779 0.416) 11.068 8.869 ( 12.394 1.327 0.934) 12.500 10.568 ( 3.242 -0.444 0.765) 3.361 10.765 ( 4.322 -2.180 -3.119) 5.758 12.706 ( -8.670 1.997 -0.350) 8.904 14.331 ( 1.110 -1.608 -0.660) 2.062 14.619 ( 5.615 1.814 2.426) 6.380 ======================= Grid point 789 (162/165) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 5.480 9.873 1.005) 11.336 3.237 ( 4.983 5.331 11.051) 13.243 3.383 ( 8.566 10.202 -3.592) 13.797 3.509 ( 2.983 12.267 -10.577) 16.470 3.675 ( 0.084 -0.505 2.342) 2.398 4.194 ( -0.895 -2.849 3.066) 4.280 4.301 ( -0.881 1.517 -3.352) 3.783 5.098 ( 2.095 -0.029 1.738) 2.722 5.130 ( -1.393 1.271 0.358) 1.920 8.683 ( -4.604 -7.955 1.439) 9.303 10.530 ( -0.650 0.324 2.787) 2.880 10.686 ( -2.278 -2.884 -0.462) 3.703 12.863 ( 4.038 6.510 -0.771) 7.700 14.300 ( -1.224 0.190 -0.240) 1.262 14.532 ( -1.497 -6.632 -1.581) 6.981 ======================= Grid point 790 (163/165) ======================= q-point: ( 0.33 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 0.202 10.136 3.003) 10.574 3.278 ( 1.831 -4.257 6.052) 7.622 3.497 ( -8.125 16.766 -5.815) 19.518 3.673 ( 0.050 0.702 2.386) 2.488 3.796 ( 13.377 5.269 -3.920) 14.902 4.084 ( -7.109 -4.302 1.490) 8.442 4.310 ( -0.202 1.761 -2.763) 3.283 5.068 ( -2.004 0.837 1.002) 2.391 5.172 ( 5.164 -5.996 1.066) 7.984 8.567 ( -1.217 -4.130 1.613) 4.598 10.547 ( 1.149 1.218 2.797) 3.260 10.625 ( -1.309 -2.362 1.717) 3.200 12.961 ( -0.003 5.149 -0.987) 5.243 14.301 ( 0.629 1.028 -0.331) 1.250 14.444 ( -0.596 -6.233 -2.882) 6.893 ======================= Grid point 791 (164/165) ======================= q-point: (-0.60 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -8.729 4.760 3.116) 10.420 3.275 ( 2.015 -2.941 5.775) 6.787 3.490 ( -10.936 14.778 -4.618) 18.956 3.667 ( -1.127 0.161 2.646) 2.880 3.812 ( -10.120 -9.011 -5.655) 14.683 4.077 ( 6.990 4.581 2.429) 8.703 4.318 ( -0.491 0.573 -3.378) 3.461 5.066 ( -0.005 2.178 1.130) 2.454 5.174 ( 2.885 -7.485 0.922) 8.075 8.567 ( 4.190 -1.016 1.611) 4.602 10.550 ( -1.250 -0.527 2.255) 2.632 10.629 ( 3.100 -0.352 1.704) 3.555 12.960 ( -4.620 2.668 -0.858) 5.403 14.315 ( -0.317 -0.716 -1.746) 1.914 14.427 ( 4.292 -1.616 -1.117) 4.721 ======================= Grid point 805 (165/165) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 2.84e-04 3.36e-05 3.36e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -3.782 -7.564 3.998) 9.355 3.143 ( 3.782 7.564 3.998) 9.355 3.677 ( 0.000 -0.000 3.387) 3.387 3.775 ( -3.923 -7.845 -5.301) 10.249 3.775 ( 3.923 7.845 -5.301) 10.249 4.022 ( 0.000 -0.000 3.560) 3.560 4.330 ( -0.000 -0.000 -3.599) 3.599 5.090 ( -0.885 -1.770 0.952) 2.196 5.090 ( 0.885 1.770 0.952) 2.196 8.523 ( -0.000 -0.000 1.615) 1.615 10.580 ( -0.913 -1.826 2.666) 3.358 10.580 ( 0.913 1.826 2.666) 3.358 13.016 ( -0.000 -0.000 -1.164) 1.164 14.346 ( -1.469 -2.938 -1.741) 3.717 14.346 ( 1.469 2.938 -1.741) 3.717 =================== 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 3/23625 10.0 1776.710 1776.710 1495.908 0.000 0.000 -0.000 3/23625 20.0 605.122 605.122 587.889 -0.000 0.000 -0.000 3/23625 30.0 242.667 242.667 220.408 -0.000 0.000 -0.000 3/23625 40.0 140.958 140.958 127.412 -0.000 0.000 -0.000 3/23625 50.0 101.293 101.293 92.492 -0.000 0.000 -0.000 3/23625 60.0 80.538 80.538 74.327 -0.000 0.000 -0.000 3/23625 70.0 67.332 67.332 62.668 -0.000 0.000 -0.000 3/23625 80.0 57.857 57.857 54.197 -0.000 0.000 -0.000 3/23625 90.0 50.574 50.574 47.610 -0.000 0.000 -0.000 3/23625 100.0 44.756 44.756 42.300 -0.000 0.000 -0.000 3/23625 110.0 40.003 40.003 37.934 -0.000 0.000 -0.000 3/23625 120.0 36.063 36.063 34.298 -0.000 0.000 -0.000 3/23625 130.0 32.762 32.762 31.241 -0.000 0.000 -0.000 3/23625 140.0 29.971 29.971 28.648 -0.000 0.000 -0.000 3/23625 150.0 27.589 27.589 26.432 -0.000 0.000 -0.000 3/23625 160.0 25.540 25.540 24.521 -0.000 0.000 -0.000 3/23625 170.0 23.764 23.764 22.861 -0.000 0.000 -0.000 3/23625 180.0 22.213 22.213 21.409 -0.000 0.000 -0.000 3/23625 190.0 20.850 20.850 20.130 -0.000 0.000 -0.000 3/23625 200.0 19.643 19.643 18.995 -0.000 0.000 -0.000 3/23625 210.0 18.568 18.568 17.983 -0.000 0.000 -0.000 3/23625 220.0 17.605 17.605 17.074 -0.000 0.000 -0.000 3/23625 230.0 16.738 16.738 16.255 -0.000 0.000 -0.000 3/23625 240.0 15.954 15.954 15.512 -0.000 0.000 -0.000 3/23625 250.0 15.241 15.241 14.836 -0.000 0.000 -0.000 3/23625 260.0 14.591 14.591 14.217 -0.000 0.000 -0.000 3/23625 270.0 13.995 13.995 13.649 -0.000 0.000 -0.000 3/23625 280.0 13.447 13.447 13.127 -0.000 0.000 -0.000 3/23625 290.0 12.941 12.941 12.643 -0.000 0.000 -0.000 3/23625 300.0 12.473 12.473 12.195 -0.000 0.000 -0.000 3/23625 310.0 12.038 12.038 11.779 -0.000 0.000 -0.000 3/23625 320.0 11.634 11.634 11.391 -0.000 0.000 -0.000 3/23625 330.0 11.256 11.256 11.028 -0.000 0.000 -0.000 3/23625 340.0 10.903 10.903 10.688 -0.000 0.000 -0.000 3/23625 350.0 10.572 10.572 10.369 -0.000 0.000 -0.000 3/23625 360.0 10.261 10.261 10.069 -0.000 0.000 -0.000 3/23625 370.0 9.968 9.968 9.787 -0.000 0.000 -0.000 3/23625 380.0 9.692 9.692 9.520 -0.000 0.000 -0.000 3/23625 390.0 9.431 9.431 9.268 -0.000 0.000 -0.000 3/23625 400.0 9.184 9.184 9.029 -0.000 0.000 -0.000 3/23625 410.0 8.951 8.951 8.802 -0.000 0.000 -0.000 3/23625 420.0 8.729 8.729 8.586 -0.000 0.000 -0.000 3/23625 430.0 8.518 8.518 8.382 -0.000 0.000 -0.000 3/23625 440.0 8.317 8.317 8.187 -0.000 0.000 -0.000 3/23625 450.0 8.125 8.125 8.000 -0.000 0.000 -0.000 3/23625 460.0 7.943 7.943 7.823 -0.000 0.000 -0.000 3/23625 470.0 7.769 7.769 7.653 -0.000 0.000 -0.000 3/23625 480.0 7.602 7.602 7.491 -0.000 0.000 -0.000 3/23625 490.0 7.442 7.442 7.335 -0.000 0.000 -0.000 3/23625 500.0 7.289 7.289 7.186 -0.000 0.000 -0.000 3/23625 510.0 7.143 7.143 7.043 -0.000 0.000 -0.000 3/23625 520.0 7.002 7.002 6.906 -0.000 0.000 -0.000 3/23625 530.0 6.867 6.867 6.774 -0.000 0.000 -0.000 3/23625 540.0 6.737 6.737 6.647 -0.000 0.000 -0.000 3/23625 550.0 6.612 6.612 6.524 -0.000 0.000 -0.000 3/23625 560.0 6.492 6.492 6.407 -0.000 0.000 -0.000 3/23625 570.0 6.376 6.376 6.293 -0.000 0.000 -0.000 3/23625 580.0 6.264 6.264 6.184 -0.000 0.000 -0.000 3/23625 590.0 6.156 6.156 6.078 -0.000 0.000 -0.000 3/23625 600.0 6.052 6.052 5.976 -0.000 0.000 -0.000 3/23625 610.0 5.951 5.951 5.877 -0.000 0.000 -0.000 3/23625 620.0 5.854 5.854 5.782 -0.000 0.000 -0.000 3/23625 630.0 5.759 5.759 5.689 -0.000 0.000 -0.000 3/23625 640.0 5.668 5.668 5.600 -0.000 0.000 -0.000 3/23625 650.0 5.580 5.580 5.513 -0.000 0.000 -0.000 3/23625 660.0 5.495 5.495 5.429 -0.000 0.000 -0.000 3/23625 670.0 5.412 5.412 5.348 -0.000 0.000 -0.000 3/23625 680.0 5.331 5.331 5.269 -0.000 0.000 -0.000 3/23625 690.0 5.253 5.253 5.192 -0.000 0.000 -0.000 3/23625 700.0 5.177 5.177 5.118 -0.000 0.000 -0.000 3/23625 710.0 5.104 5.104 5.046 -0.000 0.000 -0.000 3/23625 720.0 5.032 5.032 4.975 -0.000 0.000 -0.000 3/23625 730.0 4.963 4.963 4.907 -0.000 0.000 -0.000 3/23625 740.0 4.895 4.895 4.840 -0.000 0.000 -0.000 3/23625 750.0 4.830 4.830 4.776 -0.000 0.000 -0.000 3/23625 760.0 4.766 4.766 4.713 -0.000 0.000 -0.000 3/23625 770.0 4.703 4.703 4.652 -0.000 0.000 -0.000 3/23625 780.0 4.643 4.643 4.592 -0.000 0.000 -0.000 3/23625 790.0 4.584 4.584 4.534 -0.000 0.000 -0.000 3/23625 800.0 4.526 4.526 4.477 -0.000 0.000 -0.000 3/23625 810.0 4.470 4.470 4.422 -0.000 0.000 -0.000 3/23625 820.0 4.415 4.415 4.368 -0.000 0.000 -0.000 3/23625 830.0 4.362 4.362 4.315 -0.000 0.000 -0.000 3/23625 840.0 4.310 4.310 4.264 -0.000 0.000 -0.000 3/23625 850.0 4.259 4.259 4.214 -0.000 0.000 -0.000 3/23625 860.0 4.209 4.209 4.165 -0.000 0.000 -0.000 3/23625 870.0 4.160 4.160 4.117 -0.000 0.000 -0.000 3/23625 880.0 4.113 4.113 4.070 -0.000 0.000 -0.000 3/23625 890.0 4.067 4.067 4.024 -0.000 0.000 -0.000 3/23625 900.0 4.021 4.021 3.980 -0.000 0.000 -0.000 3/23625 910.0 3.977 3.977 3.936 -0.000 0.000 -0.000 3/23625 920.0 3.934 3.934 3.893 -0.000 0.000 -0.000 3/23625 930.0 3.891 3.891 3.851 -0.000 0.000 -0.000 3/23625 940.0 3.850 3.850 3.811 -0.000 0.000 -0.000 3/23625 950.0 3.809 3.809 3.771 -0.000 0.000 -0.000 3/23625 960.0 3.770 3.770 3.731 -0.000 0.000 -0.000 3/23625 970.0 3.731 3.731 3.693 -0.000 0.000 -0.000 3/23625 980.0 3.693 3.693 3.655 -0.000 0.000 -0.000 3/23625 990.0 3.655 3.655 3.618 -0.000 0.000 -0.000 3/23625 1000.0 3.619 3.619 3.582 -0.000 0.000 -0.000 3/23625 Thermal conductivity related properties were written into "kappa-m15157.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:33:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|