----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998954800945337 1.154097092423682 7.920418046666658 b -1.998954800945333 1.154097092423682 7.920418046666658 c 0.000000000000002 -2.308194184847368 7.920418046666658 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 *3 S 0.77264171018548 0.77264171018548 0.77264171018548 32.065 4 S 0.22735828981453 0.22735828981453 0.22735828981452 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.997909601890670 0.000000000000000 0.000000000000000 b -1.998954800945335 3.462291277271051 0.000000000000000 c 0.000000000000000 0.000000000000000 23.761254139999998 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 1 3 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 1 *4 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 2 5 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 6 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 2 *7 S 0.66666666666667 0.33333333333333 0.10597504351881 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.22735828981452 32.065 > 4 9 S 0.33333333333333 0.66666666666667 0.43930837685214 32.065 > 3 10 S 0.66666666666667 0.33333333333333 0.56069162314786 32.065 > 4 11 S 0.00000000000000 0.00000000000000 0.77264171018548 32.065 > 3 12 S 0.33333333333333 0.66666666666667 0.89402495648119 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.993728805672010 0.000000000000000 0.000000000000000 b -5.996864402836005 10.386873831813153 0.000000000000000 c 0.000000000000000 0.000000000000000 23.761254139999998 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 *28 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 2 29 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 2 30 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 2 31 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 2 32 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 2 33 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 2 34 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 2 35 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 2 36 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 2 37 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 38 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 2 39 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 2 40 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 2 41 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 2 42 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 2 43 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 2 44 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 2 45 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 2 46 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 2 47 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 2 48 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 2 49 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 2 50 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 2 51 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 2 52 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 2 53 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 2 54 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 2 *55 S 0.22222222222222 0.11111111111111 0.10597504351881 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.10597504351881 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.10597504351881 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.10597504351881 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.10597504351881 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.10597504351881 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.10597504351881 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.10597504351881 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.10597504351881 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.22735828981452 32.065 > 4 65 S 0.33333333333333 0.00000000000000 0.22735828981452 32.065 > 4 66 S 0.66666666666667 0.00000000000000 0.22735828981452 32.065 > 4 67 S 0.00000000000000 0.33333333333333 0.22735828981452 32.065 > 4 68 S 0.33333333333333 0.33333333333333 0.22735828981452 32.065 > 4 69 S 0.66666666666667 0.33333333333333 0.22735828981452 32.065 > 4 70 S 0.00000000000000 0.66666666666667 0.22735828981452 32.065 > 4 71 S 0.33333333333333 0.66666666666667 0.22735828981452 32.065 > 4 72 S 0.66666666666667 0.66666666666667 0.22735828981452 32.065 > 4 73 S 0.11111111111111 0.22222222222222 0.43930837685214 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.43930837685214 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.43930837685214 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.43930837685214 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.43930837685214 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.43930837685214 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.43930837685214 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.43930837685214 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.43930837685214 32.065 > 3 82 S 0.22222222222222 0.11111111111111 0.56069162314786 32.065 > 4 83 S 0.55555555555556 0.11111111111111 0.56069162314786 32.065 > 4 84 S 0.88888888888889 0.11111111111111 0.56069162314786 32.065 > 4 85 S 0.22222222222222 0.44444444444444 0.56069162314786 32.065 > 4 86 S 0.55555555555556 0.44444444444444 0.56069162314786 32.065 > 4 87 S 0.88888888888889 0.44444444444444 0.56069162314786 32.065 > 4 88 S 0.22222222222222 0.77777777777778 0.56069162314786 32.065 > 4 89 S 0.55555555555556 0.77777777777778 0.56069162314786 32.065 > 4 90 S 0.88888888888889 0.77777777777778 0.56069162314786 32.065 > 4 91 S 0.00000000000000 0.00000000000000 0.77264171018548 32.065 > 3 92 S 0.33333333333333 0.00000000000000 0.77264171018548 32.065 > 3 93 S 0.66666666666667 0.00000000000000 0.77264171018548 32.065 > 3 94 S 0.00000000000000 0.33333333333333 0.77264171018548 32.065 > 3 95 S 0.33333333333333 0.33333333333333 0.77264171018548 32.065 > 3 96 S 0.66666666666667 0.33333333333333 0.77264171018548 32.065 > 3 97 S 0.00000000000000 0.66666666666667 0.77264171018548 32.065 > 3 98 S 0.33333333333333 0.66666666666667 0.77264171018548 32.065 > 3 99 S 0.66666666666667 0.66666666666667 0.77264171018548 32.065 > 3 100 S 0.11111111111111 0.22222222222222 0.89402495648119 32.065 > 4 101 S 0.44444444444444 0.22222222222222 0.89402495648119 32.065 > 4 102 S 0.77777777777778 0.22222222222222 0.89402495648119 32.065 > 4 103 S 0.11111111111111 0.55555555555556 0.89402495648119 32.065 > 4 104 S 0.44444444444444 0.55555555555556 0.89402495648119 32.065 > 4 105 S 0.77777777777778 0.55555555555556 0.89402495648119 32.065 > 4 106 S 0.11111111111111 0.88888888888889 0.89402495648119 32.065 > 4 107 S 0.44444444444444 0.88888888888889 0.89402495648119 32.065 > 4 108 S 0.77777777777778 0.88888888888889 0.89402495648119 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6620162 -0.0000000 0.0000000 -0.0000000 5.6620162 0.0000000 0.0000000 0.0000000 4.8451074 -------------------------- Born effective charges -------------------------- 1 Cs 1.1309214 -0.0000000 0.0000000 -0.0000000 1.1309214 0.0000000 0.0000000 0.0000000 2.2589042 2 Er 4.3804932 -0.0000000 0.0000000 -0.0000000 4.3804932 0.0000000 0.0000000 0.0000000 1.9945958 3 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 4 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 195 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.138 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 195 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:26:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:26:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998954800945337 1.154097092423682 7.920418046666658 b -1.998954800945333 1.154097092423682 7.920418046666658 c 0.000000000000002 -2.308194184847368 7.920418046666658 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 3 S 0.77264171018548 0.77264171018548 0.77264171018548 32.065 4 S 0.22735828981453 0.22735828981453 0.22735828981452 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.993728805672010 0.000000000000000 0.000000000000000 b -5.996864402836005 10.386873831813153 0.000000000000000 c 0.000000000000000 0.000000000000000 23.761254139999998 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 28 29 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 28 30 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 28 31 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 28 32 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 28 33 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 28 34 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 28 35 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 28 36 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 28 37 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 28 38 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 28 39 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 28 40 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 28 41 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 28 42 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 28 43 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 28 44 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 28 45 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 28 46 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 28 47 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 28 48 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 28 49 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 28 50 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 28 51 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 28 52 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 28 53 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 28 54 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 28 55 S 0.22222222222222 0.11111111111111 0.10597504351881 32.065 > 55 56 S 0.55555555555556 0.11111111111111 0.10597504351881 32.065 > 55 57 S 0.88888888888889 0.11111111111111 0.10597504351881 32.065 > 55 58 S 0.22222222222222 0.44444444444444 0.10597504351881 32.065 > 55 59 S 0.55555555555556 0.44444444444444 0.10597504351881 32.065 > 55 60 S 0.88888888888889 0.44444444444444 0.10597504351881 32.065 > 55 61 S 0.22222222222222 0.77777777777778 0.10597504351881 32.065 > 55 62 S 0.55555555555556 0.77777777777778 0.10597504351881 32.065 > 55 63 S 0.88888888888889 0.77777777777778 0.10597504351881 32.065 > 55 64 S 0.00000000000000 0.00000000000000 0.22735828981452 32.065 > 64 65 S 0.33333333333333 0.00000000000000 0.22735828981452 32.065 > 64 66 S 0.66666666666667 0.00000000000000 0.22735828981452 32.065 > 64 67 S 0.00000000000000 0.33333333333333 0.22735828981452 32.065 > 64 68 S 0.33333333333333 0.33333333333333 0.22735828981452 32.065 > 64 69 S 0.66666666666667 0.33333333333333 0.22735828981452 32.065 > 64 70 S 0.00000000000000 0.66666666666667 0.22735828981452 32.065 > 64 71 S 0.33333333333333 0.66666666666667 0.22735828981452 32.065 > 64 72 S 0.66666666666667 0.66666666666667 0.22735828981452 32.065 > 64 73 S 0.11111111111111 0.22222222222222 0.43930837685214 32.065 > 55 74 S 0.44444444444444 0.22222222222222 0.43930837685214 32.065 > 55 75 S 0.77777777777778 0.22222222222222 0.43930837685214 32.065 > 55 76 S 0.11111111111111 0.55555555555556 0.43930837685214 32.065 > 55 77 S 0.44444444444444 0.55555555555556 0.43930837685214 32.065 > 55 78 S 0.77777777777778 0.55555555555556 0.43930837685214 32.065 > 55 79 S 0.11111111111111 0.88888888888889 0.43930837685214 32.065 > 55 80 S 0.44444444444444 0.88888888888889 0.43930837685214 32.065 > 55 81 S 0.77777777777778 0.88888888888889 0.43930837685214 32.065 > 55 82 S 0.22222222222222 0.11111111111111 0.56069162314786 32.065 > 64 83 S 0.55555555555556 0.11111111111111 0.56069162314786 32.065 > 64 84 S 0.88888888888889 0.11111111111111 0.56069162314786 32.065 > 64 85 S 0.22222222222222 0.44444444444444 0.56069162314786 32.065 > 64 86 S 0.55555555555556 0.44444444444444 0.56069162314786 32.065 > 64 87 S 0.88888888888889 0.44444444444444 0.56069162314786 32.065 > 64 88 S 0.22222222222222 0.77777777777778 0.56069162314786 32.065 > 64 89 S 0.55555555555556 0.77777777777778 0.56069162314786 32.065 > 64 90 S 0.88888888888889 0.77777777777778 0.56069162314786 32.065 > 64 91 S 0.00000000000000 0.00000000000000 0.77264171018548 32.065 > 55 92 S 0.33333333333333 0.00000000000000 0.77264171018548 32.065 > 55 93 S 0.66666666666667 0.00000000000000 0.77264171018548 32.065 > 55 94 S 0.00000000000000 0.33333333333333 0.77264171018548 32.065 > 55 95 S 0.33333333333333 0.33333333333333 0.77264171018548 32.065 > 55 96 S 0.66666666666667 0.33333333333333 0.77264171018548 32.065 > 55 97 S 0.00000000000000 0.66666666666667 0.77264171018548 32.065 > 55 98 S 0.33333333333333 0.66666666666667 0.77264171018548 32.065 > 55 99 S 0.66666666666667 0.66666666666667 0.77264171018548 32.065 > 55 100 S 0.11111111111111 0.22222222222222 0.89402495648119 32.065 > 64 101 S 0.44444444444444 0.22222222222222 0.89402495648119 32.065 > 64 102 S 0.77777777777778 0.22222222222222 0.89402495648119 32.065 > 64 103 S 0.11111111111111 0.55555555555556 0.89402495648119 32.065 > 64 104 S 0.44444444444444 0.55555555555556 0.89402495648119 32.065 > 64 105 S 0.77777777777778 0.55555555555556 0.89402495648119 32.065 > 64 106 S 0.11111111111111 0.88888888888889 0.89402495648119 32.065 > 64 107 S 0.44444444444444 0.88888888888889 0.89402495648119 32.065 > 64 108 S 0.77777777777778 0.88888888888889 0.89402495648119 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6620162 -0.0000000 0.0000000 -0.0000000 5.6620162 0.0000000 0.0000000 0.0000000 4.8451074 -------------------------- Born effective charges -------------------------- 1 Cs 1.1309214 -0.0000000 0.0000000 -0.0000000 1.1309214 0.0000000 0.0000000 0.0000000 2.2589042 2 Er 4.3804932 -0.0000000 0.0000000 -0.0000000 4.3804932 0.0000000 0.0000000 0.0000000 1.9945958 3 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 4 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:26:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:26:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998954800945337 1.154097092423682 7.920418046666658 b -1.998954800945333 1.154097092423682 7.920418046666658 c 0.000000000000002 -2.308194184847368 7.920418046666658 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 3 S 0.77264171018548 0.77264171018548 0.77264171018548 32.065 4 S 0.22735828981453 0.22735828981453 0.22735828981452 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.993728805672010 0.000000000000000 0.000000000000000 b -5.996864402836005 10.386873831813153 0.000000000000000 c 0.000000000000000 0.000000000000000 23.761254139999998 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 28 29 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 28 30 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 28 31 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 28 32 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 28 33 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 28 34 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 28 35 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 28 36 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 28 37 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 28 38 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 28 39 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 28 40 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 28 41 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 28 42 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 28 43 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 28 44 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 28 45 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 28 46 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 28 47 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 28 48 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 28 49 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 28 50 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 28 51 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 28 52 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 28 53 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 28 54 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 28 55 S 0.22222222222222 0.11111111111111 0.10597504351881 32.065 > 55 56 S 0.55555555555556 0.11111111111111 0.10597504351881 32.065 > 55 57 S 0.88888888888889 0.11111111111111 0.10597504351881 32.065 > 55 58 S 0.22222222222222 0.44444444444444 0.10597504351881 32.065 > 55 59 S 0.55555555555556 0.44444444444444 0.10597504351881 32.065 > 55 60 S 0.88888888888889 0.44444444444444 0.10597504351881 32.065 > 55 61 S 0.22222222222222 0.77777777777778 0.10597504351881 32.065 > 55 62 S 0.55555555555556 0.77777777777778 0.10597504351881 32.065 > 55 63 S 0.88888888888889 0.77777777777778 0.10597504351881 32.065 > 55 64 S 0.00000000000000 0.00000000000000 0.22735828981452 32.065 > 64 65 S 0.33333333333333 0.00000000000000 0.22735828981452 32.065 > 64 66 S 0.66666666666667 0.00000000000000 0.22735828981452 32.065 > 64 67 S 0.00000000000000 0.33333333333333 0.22735828981452 32.065 > 64 68 S 0.33333333333333 0.33333333333333 0.22735828981452 32.065 > 64 69 S 0.66666666666667 0.33333333333333 0.22735828981452 32.065 > 64 70 S 0.00000000000000 0.66666666666667 0.22735828981452 32.065 > 64 71 S 0.33333333333333 0.66666666666667 0.22735828981452 32.065 > 64 72 S 0.66666666666667 0.66666666666667 0.22735828981452 32.065 > 64 73 S 0.11111111111111 0.22222222222222 0.43930837685214 32.065 > 55 74 S 0.44444444444444 0.22222222222222 0.43930837685214 32.065 > 55 75 S 0.77777777777778 0.22222222222222 0.43930837685214 32.065 > 55 76 S 0.11111111111111 0.55555555555556 0.43930837685214 32.065 > 55 77 S 0.44444444444444 0.55555555555556 0.43930837685214 32.065 > 55 78 S 0.77777777777778 0.55555555555556 0.43930837685214 32.065 > 55 79 S 0.11111111111111 0.88888888888889 0.43930837685214 32.065 > 55 80 S 0.44444444444444 0.88888888888889 0.43930837685214 32.065 > 55 81 S 0.77777777777778 0.88888888888889 0.43930837685214 32.065 > 55 82 S 0.22222222222222 0.11111111111111 0.56069162314786 32.065 > 64 83 S 0.55555555555556 0.11111111111111 0.56069162314786 32.065 > 64 84 S 0.88888888888889 0.11111111111111 0.56069162314786 32.065 > 64 85 S 0.22222222222222 0.44444444444444 0.56069162314786 32.065 > 64 86 S 0.55555555555556 0.44444444444444 0.56069162314786 32.065 > 64 87 S 0.88888888888889 0.44444444444444 0.56069162314786 32.065 > 64 88 S 0.22222222222222 0.77777777777778 0.56069162314786 32.065 > 64 89 S 0.55555555555556 0.77777777777778 0.56069162314786 32.065 > 64 90 S 0.88888888888889 0.77777777777778 0.56069162314786 32.065 > 64 91 S 0.00000000000000 0.00000000000000 0.77264171018548 32.065 > 55 92 S 0.33333333333333 0.00000000000000 0.77264171018548 32.065 > 55 93 S 0.66666666666667 0.00000000000000 0.77264171018548 32.065 > 55 94 S 0.00000000000000 0.33333333333333 0.77264171018548 32.065 > 55 95 S 0.33333333333333 0.33333333333333 0.77264171018548 32.065 > 55 96 S 0.66666666666667 0.33333333333333 0.77264171018548 32.065 > 55 97 S 0.00000000000000 0.66666666666667 0.77264171018548 32.065 > 55 98 S 0.33333333333333 0.66666666666667 0.77264171018548 32.065 > 55 99 S 0.66666666666667 0.66666666666667 0.77264171018548 32.065 > 55 100 S 0.11111111111111 0.22222222222222 0.89402495648119 32.065 > 64 101 S 0.44444444444444 0.22222222222222 0.89402495648119 32.065 > 64 102 S 0.77777777777778 0.22222222222222 0.89402495648119 32.065 > 64 103 S 0.11111111111111 0.55555555555556 0.89402495648119 32.065 > 64 104 S 0.44444444444444 0.55555555555556 0.89402495648119 32.065 > 64 105 S 0.77777777777778 0.55555555555556 0.89402495648119 32.065 > 64 106 S 0.11111111111111 0.88888888888889 0.89402495648119 32.065 > 64 107 S 0.44444444444444 0.88888888888889 0.89402495648119 32.065 > 64 108 S 0.77777777777778 0.88888888888889 0.89402495648119 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6620162 -0.0000000 0.0000000 -0.0000000 5.6620162 0.0000000 0.0000000 0.0000000 4.8451074 -------------------------- Born effective charges -------------------------- 1 Cs 1.1309214 -0.0000000 0.0000000 -0.0000000 1.1309214 0.0000000 0.0000000 0.0000000 2.2589042 2 Er 4.3804932 -0.0000000 0.0000000 -0.0000000 4.3804932 0.0000000 0.0000000 0.0000000 1.9945958 3 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 4 S -2.7557073 0.0000000 0.0000000 0.0000000 -2.7557073 0.0000000 0.0000000 0.0000000 -2.1267500 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.87, Number of G-points: 295, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 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 1.674 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 16.979 9.803 -6.165) 20.552 0.378 ( 17.421 10.058 -4.335) 20.578 0.770 ( 31.707 18.306 13.650) 39.074 1.689 ( 1.272 0.734 0.604) 1.588 1.751 ( 6.477 3.739 -1.685) 7.666 3.073 ( -1.835 -1.059 1.842) 2.808 5.135 ( 2.484 1.434 0.251) 2.879 6.376 ( -3.146 -1.817 -0.137) 3.636 6.395 ( -1.469 -0.848 -0.048) 1.697 6.914 ( 5.111 2.951 -19.570) 20.441 8.094 ( -9.211 -5.318 4.045) 11.380 8.367 ( 2.300 1.328 0.716) 2.750 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 15.961 9.215 -5.853) 19.337 0.746 ( 16.893 9.753 -6.187) 20.465 1.433 ( 22.690 13.100 11.811) 28.739 1.737 ( 2.875 1.660 1.250) 3.547 1.981 ( 15.955 9.212 -2.823) 18.638 3.023 ( -2.712 -1.566 -0.295) 3.145 5.219 ( 4.920 2.840 0.310) 5.689 6.280 ( -5.096 -2.942 -0.653) 5.920 6.351 ( -2.319 -1.339 -0.036) 2.678 6.990 ( 4.683 2.704 -6.652) 8.573 7.880 ( -10.757 -6.210 2.719) 12.715 8.379 ( -0.963 -0.556 -2.474) 2.712 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 13.205 7.624 -5.343) 16.157 1.089 ( 15.592 9.002 -8.028) 19.713 1.799 ( 9.577 5.529 5.097) 12.177 1.829 ( 5.161 2.979 1.778) 6.218 2.446 ( 23.441 13.534 -1.467) 27.108 2.965 ( -1.961 -1.132 2.063) 3.063 5.353 ( 6.996 4.039 0.103) 8.079 6.159 ( -5.145 -2.970 -1.699) 6.179 6.299 ( -2.236 -1.291 0.085) 2.584 7.071 ( 3.187 1.840 -0.540) 3.720 7.636 ( -11.574 -6.682 1.341) 13.432 8.320 ( -3.154 -1.821 -4.140) 5.514 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 8.871 5.122 -4.331) 11.122 1.391 ( 13.690 7.904 -8.860) 18.122 1.957 ( 4.652 2.686 0.716) 5.419 1.977 ( 7.532 4.349 1.740) 8.870 2.768 ( 1.751 1.011 -2.841) 3.487 3.100 ( 16.159 9.329 6.660) 19.811 5.523 ( 8.055 4.651 -0.310) 9.307 6.059 ( -2.871 -1.658 -3.008) 4.477 6.259 ( -1.346 -0.777 0.336) 1.590 7.113 ( -0.266 -0.154 3.950) 3.962 7.377 ( -11.489 -6.633 -1.603) 13.362 8.235 ( -2.929 -1.691 -4.360) 5.518 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.063 2.923 -2.905) 6.528 1.648 ( 11.546 6.666 -8.194) 15.649 2.031 ( 2.502 1.445 -1.345) 3.187 2.157 ( 7.867 4.542 1.165) 9.159 2.709 ( -5.122 -2.957 3.048) 6.654 3.488 ( 15.027 8.676 2.721) 17.563 5.696 ( 7.374 4.258 -0.750) 8.548 6.029 ( 1.190 0.687 -3.956) 4.188 6.244 ( -0.096 -0.056 0.652) 0.661 7.026 ( -10.701 -6.178 6.936) 14.170 7.172 ( -4.024 -2.323 -5.187) 6.963 8.180 ( -0.971 -0.561 -2.999) 3.202 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.587 1.494 -1.590) 3.384 1.852 ( 8.226 4.750 -5.721) 11.089 2.083 ( 3.338 1.927 -2.579) 4.637 2.314 ( 5.670 3.273 0.591) 6.573 2.577 ( -7.643 -4.413 5.375) 10.334 3.757 ( 8.753 5.053 0.809) 10.139 5.833 ( 4.873 2.813 -0.879) 5.695 6.093 ( 5.546 3.202 -3.975) 7.537 6.255 ( 0.815 0.471 0.756) 1.207 6.756 ( -13.225 -7.635 2.642) 15.498 7.109 ( -1.815 -1.048 -1.518) 2.587 8.170 ( 0.410 0.237 -1.323) 1.405 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.804 0.464 -0.501) 1.055 1.957 ( 2.142 1.236 -1.504) 2.895 2.188 ( 6.392 3.690 -4.076) 8.431 2.402 ( 2.032 1.173 0.175) 2.353 2.414 ( -7.508 -4.335 4.864) 9.940 3.885 ( 2.795 1.614 0.102) 3.229 5.903 ( 1.612 0.931 -0.398) 1.904 6.248 ( 9.079 5.242 -3.077) 10.925 6.275 ( 0.542 0.313 0.345) 0.715 6.481 ( -11.763 -6.791 2.161) 13.753 7.078 ( -0.696 -0.402 -0.383) 0.890 8.179 ( 0.346 0.200 -0.314) 0.508 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 19.109 12.809) 23.005 0.462 ( 0.000 20.648 11.049) 23.419 0.719 ( 0.000 34.730 4.183) 34.981 1.677 ( -0.000 0.969 -2.238) 2.439 1.758 ( -0.000 8.038 -0.028) 8.038 3.081 ( 0.000 -3.522 3.358) 4.866 5.135 ( 0.000 2.859 0.325) 2.877 6.373 ( -0.000 -3.534 -0.985) 3.669 6.394 ( -0.000 -1.729 -0.270) 1.750 6.826 ( -0.000 13.099 -36.425) 38.709 8.112 ( 0.000 -11.248 6.565) 13.023 8.379 ( 0.000 1.890 3.278) 3.783 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 1.638 16.060 10.347) 19.174 0.798 ( 5.861 23.329 -2.564) 24.190 1.258 ( 19.984 21.873 11.008) 31.607 1.707 ( 2.708 1.666 -1.882) 3.694 1.903 ( 6.090 13.458 -1.241) 14.824 3.035 ( -1.571 -3.137 -0.800) 3.598 5.192 ( 2.470 4.243 0.528) 4.938 6.309 ( -2.694 -4.598 -0.729) 5.379 6.365 ( -1.051 -2.018 -0.295) 2.295 6.905 ( 5.372 6.302 -17.343) 19.218 7.958 ( -6.464 -10.647 5.115) 13.465 8.389 ( -1.068 0.389 -0.644) 1.306 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 9.900 10.922 3.245) 15.094 1.098 ( 5.803 20.816 -5.768) 22.366 1.703 ( 11.399 8.190 6.872) 15.628 1.790 ( 4.529 3.931 0.196) 6.000 2.260 ( 17.049 20.218 -1.077) 26.469 2.975 ( -1.340 -2.975 -0.760) 3.350 5.301 ( 4.769 5.557 0.543) 7.343 6.200 ( -4.364 -4.534 -1.216) 6.410 6.324 ( -1.705 -1.190 -0.211) 2.090 7.007 ( 5.432 2.790 -7.338) 9.547 7.740 ( -9.158 -9.815 3.760) 13.940 8.342 ( -3.020 -1.676 -2.993) 4.571 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 10.935 7.076 -0.696) 13.043 1.355 ( 5.451 16.678 -6.800) 18.818 1.890 ( 6.267 3.093 0.030) 6.989 1.937 ( 5.254 6.584 2.755) 8.863 2.703 ( 10.566 11.266 -4.332) 16.042 2.992 ( 7.590 4.089 5.850) 10.419 5.456 ( 6.392 6.637 0.294) 9.219 6.085 ( -3.830 -3.304 -2.221) 5.524 6.289 ( -1.859 0.454 -0.128) 1.918 7.088 ( 3.692 0.329 -2.045) 4.233 7.490 ( -10.799 -9.217 2.198) 14.367 8.252 ( -3.449 -2.696 -3.988) 5.921 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 7.962 4.672 -1.880) 9.421 1.568 ( 6.031 12.258 -6.904) 15.307 1.990 ( 3.520 1.121 -1.276) 3.908 2.108 ( 6.033 8.108 1.621) 10.235 2.756 ( -2.262 -1.119 -0.045) 2.524 3.338 ( 15.384 11.437 3.993) 19.581 5.634 ( 6.567 7.063 -0.156) 9.645 6.013 ( -0.892 -1.147 -3.129) 3.450 6.273 ( -1.526 2.231 0.013) 2.703 7.116 ( -0.323 -1.447 2.348) 2.777 7.219 ( -10.950 -8.489 -1.551) 13.941 8.172 ( -1.422 -2.563 -3.306) 4.418 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 3.838 3.777 -1.541) 5.601 1.758 ( 7.121 7.978 -6.038) 12.281 2.040 ( 2.706 0.610 -1.906) 3.366 2.282 ( 4.776 7.318 1.224) 8.824 2.677 ( -5.839 -1.712 3.220) 6.884 3.656 ( 10.615 7.170 1.651) 12.916 5.796 ( 4.831 6.505 -0.627) 8.127 6.025 ( 3.464 1.154 -3.305) 4.925 6.281 ( -0.998 3.443 0.126) 3.587 6.918 ( -13.526 -7.217 2.435) 15.523 7.110 ( -0.446 -2.026 -2.060) 2.924 8.142 ( 1.113 -2.157 -1.673) 2.948 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.909 3.166 -0.883) 3.411 1.905 ( 4.919 3.008 -3.456) 6.722 2.104 ( 4.981 1.888 -3.057) 6.142 2.393 ( 1.259 2.759 1.796) 3.524 2.561 ( -8.204 2.034 3.053) 8.987 3.839 ( 5.359 2.751 0.694) 6.064 5.907 ( 1.714 5.206 -0.697) 5.525 6.125 ( 7.175 1.901 -2.406) 7.802 6.305 ( -0.409 4.275 -0.301) 4.305 6.638 ( -12.957 -5.469 1.749) 14.173 7.080 ( -0.591 -1.062 -0.884) 1.503 8.147 ( 2.040 -2.209 -0.410) 3.035 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -1.080 2.266 -0.132) 2.514 1.956 ( 1.027 -0.620 -0.470) 1.289 2.196 ( 3.177 -1.389 -1.824) 3.917 2.371 ( -1.850 -0.734 1.398) 2.432 2.510 ( -5.474 8.687 -0.044) 10.268 3.897 ( 0.289 -0.683 0.539) 0.917 5.947 ( -1.800 3.487 -0.154) 3.927 6.221 ( 2.552 -3.511 -0.012) 4.341 6.384 ( 2.824 5.825 -1.641) 6.678 6.416 ( -7.008 0.969 1.960) 7.342 7.070 ( 0.318 -0.194 -0.257) 0.453 8.155 ( 1.607 -2.595 0.298) 3.066 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -2.760 0.831 0.746) 2.977 1.929 ( -3.239 -2.440 2.237) 4.631 2.131 ( -4.277 -3.882 3.132) 6.570 2.377 ( -1.715 -0.223 -1.988) 2.635 2.534 ( 0.267 8.934 -3.303) 9.529 3.837 ( -5.440 -3.368 0.244) 6.403 5.912 ( -5.155 1.145 0.530) 5.307 6.146 ( -4.197 -5.450 2.414) 7.290 6.310 ( -4.437 2.790 0.862) 5.312 6.620 ( 11.197 8.504 -2.400) 14.264 7.086 ( 1.663 0.106 0.546) 1.754 8.154 ( 1.167 -2.685 1.065) 3.116 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -4.618 -1.654 1.905) 5.262 1.808 ( -9.054 -2.697 5.626) 10.995 2.058 ( -2.328 -2.096 2.242) 3.852 2.272 ( -8.567 -0.879 -1.252) 8.703 2.645 ( 4.751 5.261 -4.358) 8.321 3.645 ( -12.364 -5.810 -0.928) 13.692 5.802 ( -8.059 -1.155 0.706) 8.172 6.054 ( -2.371 -2.847 3.467) 5.074 6.280 ( -2.864 3.040 0.021) 4.176 6.887 ( 11.715 7.778 -4.705) 14.828 7.130 ( 3.311 -0.240 2.553) 4.188 8.159 ( 1.841 -1.806 2.327) 3.473 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -7.419 -5.468 3.406) 9.825 1.628 ( -12.856 -0.052 7.181) 14.725 1.998 ( -3.413 -2.420 0.759) 4.252 2.093 ( -10.223 -1.504 -1.796) 10.488 2.752 ( 4.137 2.748 -1.175) 5.104 3.307 ( -19.229 -7.898 -3.244) 21.039 5.636 ( -9.485 -2.471 0.428) 9.811 6.039 ( 1.338 -0.303 3.053) 3.347 6.273 ( -1.306 2.778 -0.123) 3.072 7.071 ( 4.183 2.777 -7.127) 8.717 7.248 ( 10.015 2.405 4.302) 11.162 8.202 ( 3.471 -0.108 3.524) 4.948 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -11.356 -8.493 4.202) 14.790 1.416 ( -16.826 2.569 7.430) 18.572 1.883 ( -7.158 -3.738 -1.866) 8.288 1.914 ( -8.438 -1.377 -2.321) 8.859 2.742 ( -17.586 -3.862 4.884) 18.656 2.937 ( -3.940 -3.028 -6.954) 8.547 5.455 ( -9.029 -2.467 0.093) 9.361 6.102 ( 4.502 1.188 1.835) 5.005 6.289 ( 0.507 2.020 -0.092) 2.085 7.084 ( -0.629 -0.796 -2.937) 3.107 7.483 ( 12.460 3.610 0.612) 12.987 8.284 ( 4.244 1.002 3.440) 5.554 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -14.721 -7.784 3.147) 16.947 1.150 ( -20.818 3.284 6.142) 21.952 1.649 ( -15.869 -5.171 -5.293) 17.510 1.785 ( -5.164 -0.780 -1.080) 5.333 2.269 ( -25.631 -4.988 0.962) 26.129 2.976 ( 4.148 0.508 -0.526) 4.212 5.299 ( -7.253 -1.466 -0.079) 7.400 6.208 ( 5.928 1.194 0.637) 6.081 6.325 ( 1.901 0.981 -0.042) 2.140 7.040 ( -2.690 -1.113 0.100) 2.913 7.721 ( 12.385 2.462 -0.528) 12.639 8.363 ( 2.817 0.722 1.936) 3.494 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -16.232 -0.000 0.000) 16.232 0.812 ( -23.219 -0.000 0.000) 23.219 1.209 ( -30.618 -0.000 0.000) 30.618 1.715 ( -2.749 -0.000 0.000) 2.749 1.908 ( -14.615 -0.000 0.000) 14.615 3.038 ( 2.905 0.000 -0.000) 2.905 5.189 ( -4.920 -0.000 0.000) 4.920 6.312 ( 5.368 0.000 -0.000) 5.368 6.366 ( 2.291 0.000 -0.000) 2.291 6.984 ( -3.273 -0.000 0.000) 3.273 7.934 ( 11.606 0.000 -0.000) 11.606 8.391 ( -0.272 -0.000 0.000) 0.272 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 17.446 11.676) 20.993 0.914 ( 0.000 20.196 9.022) 22.120 1.341 ( 0.000 25.954 4.087) 26.274 1.690 ( -0.000 2.465 -4.360) 5.009 2.007 ( -0.000 18.473 0.101) 18.474 3.007 ( -0.000 -4.404 -2.236) 4.939 5.221 ( 0.000 5.782 0.623) 5.816 6.280 ( -0.000 -5.192 -0.693) 5.238 6.347 ( -0.000 -2.783 -0.513) 2.830 6.876 ( -0.000 7.253 -17.319) 18.777 7.911 ( 0.000 -12.657 5.051) 13.627 8.403 ( 0.000 -0.348 0.021) 0.349 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -4.702 16.701 11.888) 21.032 1.207 ( 4.601 19.463 0.118) 20.000 1.647 ( 7.785 12.425 5.073) 15.515 1.748 ( 4.769 5.179 -2.796) 7.575 2.273 ( 7.405 24.667 -0.504) 25.759 2.948 ( -0.485 -4.674 -2.697) 5.418 5.305 ( 2.342 7.125 0.805) 7.544 6.207 ( -2.449 -5.085 -0.628) 5.679 6.320 ( 0.099 -2.197 -0.461) 2.248 6.927 ( 3.951 3.799 -11.715) 12.933 7.762 ( -4.653 -12.181 4.394) 13.760 8.370 ( -2.598 -1.686 -1.207) 3.324 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.864 13.240 7.447) 15.215 1.438 ( 2.926 16.921 -4.028) 17.638 1.820 ( 5.747 4.415 -1.375) 7.376 1.925 ( 5.828 7.969 3.115) 10.352 2.661 ( 9.207 18.518 -4.567) 21.179 2.930 ( 4.511 0.811 3.168) 5.572 5.440 ( 4.451 8.305 0.948) 9.470 6.107 ( -3.598 -3.947 -1.330) 5.504 6.309 ( 0.031 -0.128 -0.486) 0.503 6.998 ( 5.068 0.116 -6.994) 8.638 7.558 ( -7.626 -10.973 3.859) 13.909 8.282 ( -4.343 -2.793 -2.539) 5.754 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 3.758 9.479 3.397) 10.748 1.612 ( 2.291 13.172 -4.934) 14.251 1.933 ( 4.173 1.959 -1.875) 4.977 2.106 ( 5.476 9.422 2.174) 11.112 2.763 ( 0.168 -0.207 -3.031) 3.043 3.228 ( 13.624 14.506 4.163) 20.331 5.611 ( 5.528 9.007 0.852) 10.603 6.019 ( -2.508 -1.935 -2.131) 3.818 6.316 ( -0.344 2.511 -0.798) 2.657 7.049 ( 4.201 -2.586 -4.630) 6.765 7.323 ( -9.939 -9.274 3.679) 14.082 8.174 ( -3.577 -3.295 -2.924) 5.674 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.688 7.127 1.249) 8.122 1.748 ( 2.796 9.463 -4.375) 10.794 1.991 ( 2.824 0.190 -2.184) 3.575 2.290 ( 4.531 8.793 2.051) 10.102 2.744 ( -1.868 0.525 0.600) 2.030 3.561 ( 10.579 9.492 1.793) 14.325 5.788 ( 4.856 8.622 0.442) 9.905 5.988 ( 0.751 0.426 -2.364) 2.517 6.338 ( -0.849 4.457 -1.187) 4.690 7.035 ( -3.954 -6.905 -5.028) 9.413 7.099 ( -5.528 -3.511 4.745) 8.087 8.099 ( -0.501 -3.516 -2.083) 4.117 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 1.356 5.948 0.252) 6.106 1.862 ( 3.292 4.946 -2.918) 6.619 2.038 ( 3.668 0.509 -2.232) 4.324 2.409 ( 1.289 3.047 2.716) 4.280 2.723 ( -4.756 6.819 0.891) 8.361 3.769 ( 6.620 3.550 0.740) 7.548 5.928 ( 2.754 6.878 -0.066) 7.409 6.041 ( 4.369 2.179 -1.748) 5.186 6.363 ( -1.113 4.869 -1.611) 5.248 6.803 ( -11.768 -4.811 0.760) 12.736 7.070 ( 0.176 -1.335 -0.386) 1.401 8.076 ( 2.249 -3.956 -0.861) 4.631 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -1.214 4.945 0.012) 5.092 1.924 ( 1.890 0.440 -1.228) 2.297 2.112 ( 4.665 0.207 -2.496) 5.295 2.406 ( -2.296 -1.498 2.720) 3.862 2.725 ( -6.849 12.647 -0.108) 14.383 3.863 ( 3.097 -0.772 0.695) 3.266 6.011 ( -0.227 5.336 0.012) 5.341 6.134 ( 4.664 -0.181 -0.646) 4.712 6.394 ( 0.753 4.343 -2.286) 4.965 6.594 ( -10.686 1.097 2.187) 10.962 7.063 ( 0.082 -0.204 -0.581) 0.621 8.081 ( 3.077 -4.499 0.029) 5.451 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -3.346 3.381 0.286) 4.765 1.935 ( 0.179 -1.283 0.115) 1.301 2.136 ( 0.054 -3.674 -0.179) 3.678 2.375 ( -0.382 0.530 -0.451) 0.794 2.719 ( -8.258 12.327 -0.761) 14.856 3.864 ( -1.096 -3.016 0.835) 3.316 6.014 ( -4.116 2.772 0.380) 4.977 6.146 ( -1.000 -3.803 0.735) 4.001 6.424 ( -2.994 1.806 0.723) 3.571 6.563 ( 2.879 9.963 -0.894) 10.409 7.066 ( 0.624 -0.199 -0.299) 0.720 8.087 ( 2.821 -4.574 0.730) 5.424 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -5.365 0.815 0.833) 5.490 1.901 ( -3.233 -1.440 1.686) 3.920 2.079 ( -2.054 -3.003 2.053) 4.177 2.364 ( -2.520 0.037 -2.141) 3.307 2.697 ( -5.290 8.844 -1.995) 10.496 3.765 ( -7.292 -3.935 0.368) 8.294 5.935 ( -7.389 0.634 0.674) 7.447 6.072 ( -2.777 -3.386 1.718) 4.704 6.388 ( -4.740 4.298 1.206) 6.511 6.769 ( 9.815 8.376 -2.969) 13.241 7.081 ( 2.017 -1.304 0.730) 2.510 8.097 ( 3.008 -3.567 1.529) 4.910 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -7.580 -1.942 1.567) 7.980 1.813 ( -7.164 0.244 3.106) 7.812 2.029 ( -2.306 -1.910 1.658) 3.423 2.256 ( -9.381 -0.075 -1.445) 9.492 2.720 ( 1.282 4.037 -2.151) 4.751 3.538 ( -15.318 -4.317 -0.709) 15.930 5.788 ( -10.064 -0.673 0.371) 10.093 6.027 ( -0.151 -1.459 1.963) 2.450 6.354 ( -4.239 3.635 0.597) 5.616 6.993 ( 8.097 6.312 -6.356) 12.074 7.124 ( 5.898 -2.359 4.081) 7.550 8.136 ( 4.204 -1.607 2.114) 4.973 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -10.543 -2.773 1.632) 11.024 1.683 ( -10.790 1.497 3.103) 11.327 1.956 ( -4.992 -1.718 0.034) 5.280 2.070 ( -11.372 -0.212 -1.086) 11.426 2.796 ( 4.495 1.651 0.234) 4.795 3.172 ( -23.070 -3.771 -1.826) 23.447 5.605 ( -10.609 -0.900 0.100) 10.647 6.049 ( 2.883 -0.020 1.127) 3.096 6.324 ( -2.389 1.782 0.153) 2.984 7.069 ( 1.005 0.467 -2.856) 3.063 7.299 ( 12.494 0.991 1.340) 12.604 8.215 ( 5.267 -0.069 1.657) 5.522 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -13.776 -0.000 0.000) 13.776 1.480 ( -15.640 -0.000 0.000) 15.640 1.827 ( -9.349 -0.000 0.000) 9.349 1.895 ( -8.728 -0.000 0.000) 8.728 2.709 ( -28.241 -0.000 0.000) 28.241 2.895 ( 5.431 0.000 -0.000) 5.431 5.431 ( -9.381 -0.000 0.000) 9.381 6.120 ( 5.114 0.000 -0.000) 5.114 6.313 ( 0.030 0.000 -0.000) 0.030 7.065 ( -0.996 -0.000 0.000) 0.996 7.520 ( 12.881 0.000 -0.000) 12.881 8.305 ( 4.776 0.000 -0.000) 4.776 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 12.474 9.064) 15.420 1.328 ( 0.000 17.975 6.113) 18.986 1.734 ( 0.000 13.511 3.640) 13.993 1.739 ( -0.000 6.188 -5.174) 8.066 2.464 ( -0.000 27.101 -1.204) 27.127 2.892 ( -0.000 -5.497 -2.864) 6.198 5.363 ( 0.000 8.342 0.775) 8.378 6.182 ( 0.000 -4.361 0.056) 4.361 6.289 ( -0.000 -2.761 -0.631) 2.832 6.894 ( -0.000 2.615 -11.211) 11.512 7.690 ( 0.000 -12.760 3.765) 13.304 8.373 ( -0.000 -2.257 -0.617) 2.340 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.000 10.635 7.871) 13.822 1.540 ( 2.717 14.799 0.915) 15.074 1.804 ( 1.673 7.905 -2.958) 8.604 1.916 ( 5.582 9.015 2.593) 10.915 2.713 ( 2.210 11.500 -8.438) 14.433 2.895 ( 4.469 9.015 5.216) 11.334 5.470 ( 2.434 9.259 0.918) 9.617 6.122 ( -2.597 -3.160 -0.315) 4.102 6.281 ( 1.832 -1.423 -0.506) 2.374 6.904 ( 2.970 -0.423 -8.660) 9.165 7.549 ( -3.443 -11.934 3.236) 12.835 8.318 ( -3.316 -2.722 -1.125) 4.435 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.901 8.878 5.482) 10.473 1.697 ( 1.148 11.889 -2.079) 12.124 1.897 ( 2.315 4.460 -2.408) 5.572 2.108 ( 6.134 9.514 2.025) 11.500 2.724 ( 1.703 -2.786 -4.515) 5.572 3.207 ( 9.082 19.131 3.643) 21.488 5.624 ( 4.376 9.869 1.204) 10.862 6.046 ( -3.191 -1.425 -1.157) 3.681 6.315 ( 2.377 1.130 -0.959) 2.801 6.927 ( 4.380 -3.524 -6.203) 8.371 7.372 ( -5.857 -10.107 3.115) 12.090 8.213 ( -5.139 -2.895 -1.812) 6.170 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 1.591 7.909 3.770) 8.905 1.803 ( 0.542 8.886 -2.548) 9.260 1.947 ( 1.850 0.915 -2.835) 3.507 2.302 ( 4.970 8.520 2.472) 10.169 2.740 ( 3.019 0.279 -1.059) 3.212 3.514 ( 7.739 12.664 1.570) 14.924 5.800 ( 4.651 9.525 1.252) 10.673 5.996 ( -1.591 0.701 -1.521) 2.310 6.368 ( 1.594 3.251 -2.092) 4.182 6.942 ( 3.930 -5.213 -4.540) 7.952 7.187 ( -7.119 -6.988 3.419) 10.545 8.098 ( -4.132 -3.091 -1.969) 5.524 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.595 7.442 2.410) 7.984 1.875 ( 0.529 5.061 -1.361) 5.267 1.979 ( 2.809 0.226 -2.667) 3.881 2.419 ( 1.556 2.297 2.966) 4.062 2.828 ( 2.143 8.709 -0.171) 8.970 3.707 ( 5.036 4.867 0.336) 7.012 5.947 ( 2.670 6.612 0.621) 7.158 6.013 ( 2.008 3.585 -0.855) 4.197 6.406 ( 0.069 2.865 -3.208) 4.301 6.904 ( -3.509 -3.507 -1.641) 5.226 7.060 ( -1.936 -2.691 2.143) 3.947 8.016 ( -0.893 -3.917 -1.457) 4.273 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.657 6.866 1.122) 6.988 1.908 ( 0.480 1.022 -0.543) 1.253 2.035 ( 3.966 0.078 -1.796) 4.354 2.428 ( -1.132 -1.252 2.418) 2.949 2.945 ( -2.610 14.621 -0.263) 14.855 3.791 ( 3.638 -1.713 0.197) 4.026 6.040 ( 2.788 4.428 0.610) 5.268 6.088 ( 1.617 3.028 -0.487) 3.467 6.407 ( -0.232 0.114 -3.283) 3.293 6.788 ( -8.499 3.418 1.487) 9.281 7.054 ( 0.988 -0.264 -0.101) 1.028 7.982 ( 2.245 -5.138 -0.634) 5.643 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -3.459 5.544 0.589) 6.562 1.917 ( 0.570 -0.559 -0.269) 0.842 2.077 ( 2.549 -2.675 -1.211) 3.888 2.398 ( -1.569 -0.349 1.068) 1.930 2.995 ( -8.550 14.557 -0.542) 16.891 3.814 ( 2.935 -4.635 0.695) 5.529 6.093 ( -2.468 1.658 -0.073) 2.974 6.122 ( 1.629 0.597 0.956) 1.981 6.409 ( 2.520 -0.645 -2.091) 3.337 6.725 ( -6.846 9.638 1.645) 11.936 7.060 ( -0.144 -0.077 -0.800) 0.816 7.982 ( 3.756 -5.441 0.174) 6.614 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.048 2.807 0.462) 6.684 1.915 ( -0.102 -0.708 0.099) 0.722 2.066 ( 0.396 -3.229 -0.018) 3.253 2.382 ( -0.821 0.422 -0.566) 1.083 2.939 ( -11.602 9.764 -0.710) 15.180 3.799 ( -0.637 -3.771 0.738) 3.895 6.038 ( -4.060 -0.545 0.463) 4.123 6.106 ( -3.664 -0.661 0.755) 3.799 6.459 ( 1.947 1.358 0.024) 2.374 6.761 ( -0.322 10.148 -0.187) 10.155 7.046 ( 0.222 -2.009 -0.597) 2.108 8.003 ( 4.120 -4.055 0.753) 5.829 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -7.754 0.195 0.422) 7.768 1.894 ( -2.330 -0.111 0.473) 2.380 2.043 ( -0.665 -1.360 0.834) 1.728 2.355 ( -3.058 0.007 -0.922) 3.194 2.821 ( -8.935 3.941 -0.709) 9.791 3.705 ( -7.918 -1.983 0.193) 8.165 5.943 ( -7.963 0.004 0.358) 7.971 6.035 ( -2.400 -1.121 0.603) 2.716 6.462 ( -3.786 2.110 0.610) 4.377 6.902 ( 7.421 6.312 -2.225) 9.993 7.038 ( 2.049 -3.426 1.030) 4.123 8.049 ( 4.591 -1.709 0.812) 4.966 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -8.979 -0.000 0.000) 8.979 1.829 ( -5.824 -0.000 0.000) 5.824 2.012 ( -2.617 -0.000 0.000) 2.617 2.251 ( -9.391 -0.000 0.000) 9.391 2.757 ( -0.189 -0.000 0.000) 0.189 3.491 ( -16.560 -0.000 0.000) 16.560 5.782 ( -10.711 -0.000 0.000) 10.711 6.019 ( 0.664 0.000 -0.000) 0.664 6.396 ( -4.710 -0.000 0.000) 4.710 7.047 ( 1.679 0.000 -0.000) 1.679 7.100 ( 11.622 0.000 -0.000) 11.622 8.126 ( 5.293 0.000 -0.000) 5.293 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 4.453 2.936) 5.334 1.659 ( 0.000 13.551 2.947) 13.868 1.895 ( -0.000 11.721 -1.923) 11.878 1.942 ( 0.000 7.031 1.255) 7.142 2.691 ( -0.000 -4.609 -7.435) 8.748 3.045 ( 0.000 23.628 4.791) 24.109 5.541 ( 0.000 9.420 0.520) 9.434 6.126 ( 0.000 -1.360 0.143) 1.367 6.242 ( -0.000 -1.553 -0.407) 1.606 6.845 ( -0.000 -2.075 -7.705) 7.980 7.469 ( 0.000 -11.701 2.196) 11.905 8.320 ( -0.000 -2.638 -0.615) 2.709 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -0.106 3.617 1.583) 3.950 1.788 ( 0.479 10.312 0.887) 10.361 1.944 ( -2.207 6.132 -2.586) 7.011 2.097 ( 6.390 9.569 0.548) 11.519 2.636 ( 1.948 -5.768 -3.238) 6.895 3.313 ( 3.486 21.617 3.195) 22.128 5.657 ( 2.982 9.286 0.504) 9.766 6.090 ( -2.992 0.155 -0.620) 3.059 6.265 ( 3.363 0.166 -0.447) 3.397 6.816 ( 2.265 -4.243 -5.574) 7.362 7.346 ( -2.339 -10.375 1.515) 10.742 8.262 ( -3.667 -2.328 -0.798) 4.416 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 2.160 4.401 1.930) 5.269 1.875 ( -0.167 7.107 0.014) 7.109 1.944 ( -0.909 2.121 -4.596) 5.143 2.301 ( 5.787 8.626 2.030) 10.584 2.647 ( 5.710 -2.599 -0.657) 6.308 3.563 ( 3.478 15.470 1.721) 15.950 5.816 ( 4.798 8.932 0.841) 10.174 6.043 ( -3.011 1.730 -1.099) 3.643 6.336 ( 3.890 1.666 -1.803) 4.600 6.808 ( 3.995 -5.539 -3.097) 7.499 7.209 ( -3.656 -8.014 1.215) 8.892 8.157 ( -5.794 -1.927 -1.154) 6.214 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 3.468 5.444 2.397) 6.885 1.915 ( -0.456 1.615 0.757) 1.841 1.950 ( 0.582 3.219 -4.544) 5.599 2.422 ( 1.481 2.118 3.038) 3.988 2.796 ( 9.937 5.780 -0.404) 11.503 3.718 ( 1.005 7.838 0.369) 7.910 5.970 ( 3.069 6.814 0.824) 7.518 6.033 ( -0.271 3.918 -0.637) 3.978 6.394 ( 1.961 0.524 -3.688) 4.210 6.837 ( 5.477 -3.299 -0.682) 6.430 7.087 ( -3.668 -4.747 1.180) 6.114 8.038 ( -5.464 -2.099 -1.327) 6.002 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.132 6.243 1.795) 6.837 1.915 ( -0.157 -0.163 0.250) 0.337 1.984 ( 1.521 1.293 -1.824) 2.705 2.437 ( -0.498 -0.864 2.111) 2.335 3.039 ( 7.902 11.706 -0.053) 14.123 3.750 ( -1.196 -0.229 -0.330) 1.262 6.041 ( 1.328 3.927 0.546) 4.182 6.107 ( 1.512 4.783 0.101) 5.017 6.385 ( -0.072 -2.755 -3.783) 4.681 6.903 ( 0.932 3.047 0.396) 3.211 7.023 ( 0.513 -1.874 1.038) 2.203 7.937 ( -2.805 -3.390 -1.134) 4.544 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -1.474 6.503 0.959) 6.737 1.910 ( -0.208 -0.337 0.049) 0.399 2.006 ( 2.167 -2.642 -0.666) 3.482 2.418 ( -1.066 -0.597 0.941) 1.542 3.239 ( -1.318 15.242 -0.137) 15.300 3.703 ( 1.654 -7.465 -0.026) 7.647 6.101 ( 1.007 1.254 0.540) 1.696 6.152 ( -0.329 3.967 0.543) 4.018 6.347 ( 1.394 -3.631 -2.630) 4.695 6.912 ( -4.333 6.735 1.352) 8.121 7.053 ( 1.432 0.084 -0.398) 1.488 7.882 ( 1.335 -4.442 -0.488) 4.664 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -6.012 3.479 0.506) 6.964 1.907 ( 0.285 -0.195 -0.067) 0.352 2.011 ( 2.355 -2.795 -0.462) 3.684 2.400 ( -0.991 0.105 0.197) 1.016 3.233 ( -12.682 8.593 -0.377) 15.324 3.713 ( 6.163 -4.816 0.426) 7.833 6.080 ( -2.494 -0.748 -0.091) 2.606 6.169 ( -2.511 1.537 0.876) 3.072 6.380 ( 5.835 -0.836 -1.020) 5.982 6.916 ( -4.512 8.128 1.599) 9.432 7.031 ( -1.727 -2.907 -1.417) 3.666 7.896 ( 4.354 -2.839 0.118) 5.199 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -7.712 -0.000 0.000) 7.712 1.910 ( -0.065 -0.000 0.000) 0.065 2.030 ( 1.289 0.000 -0.000) 1.289 2.384 ( -1.140 -0.000 0.000) 1.140 3.040 ( -13.723 -0.000 0.000) 13.723 3.757 ( 0.438 0.000 -0.000) 0.438 6.028 ( -3.191 -0.000 0.000) 3.191 6.106 ( -5.380 -0.000 0.000) 5.380 6.472 ( 3.968 0.000 -0.000) 3.968 6.896 ( -2.819 -0.000 0.000) 2.819 6.994 ( 0.880 0.000 -0.000) 0.880 7.962 ( 4.845 0.000 -0.000) 4.845 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.000 1.246 -1.008) 1.602 1.879 ( 0.000 8.043 1.273) 8.143 2.011 ( -0.000 1.130 -6.258) 6.359 2.123 ( 0.000 11.297 0.304) 11.301 2.557 ( 0.000 -5.582 0.827) 5.643 3.499 ( 0.000 19.923 2.813) 20.121 5.712 ( -0.000 7.704 -0.330) 7.712 6.130 ( -0.000 1.914 -1.433) 2.391 6.233 ( 0.000 0.751 0.352) 0.830 6.741 ( -0.000 -5.030 -3.427) 6.086 7.269 ( 0.000 -9.624 0.268) 9.628 8.273 ( -0.000 -1.818 -0.404) 1.862 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 2.519 1.401 -0.793) 2.989 1.937 ( -0.673 2.561 1.217) 2.914 1.970 ( -1.440 2.239 -8.288) 8.705 2.287 ( 6.126 8.984 0.559) 10.888 2.539 ( 2.793 -3.790 3.073) 5.622 3.687 ( 0.718 15.322 1.983) 15.466 5.813 ( 4.170 6.464 -0.407) 7.703 6.115 ( -3.076 2.769 -1.861) 4.538 6.283 ( 3.434 1.778 -0.529) 3.903 6.699 ( 1.866 -5.373 -0.822) 5.747 7.172 ( -1.268 -7.869 -0.428) 7.982 8.225 ( -3.796 -1.214 -0.453) 4.011 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 5.246 2.358 0.584) 5.781 1.911 ( 0.047 -1.682 -3.154) 3.575 1.988 ( -0.732 4.189 -2.033) 4.713 2.432 ( 1.478 3.176 2.809) 4.490 2.640 ( 11.531 1.716 0.510) 11.669 3.810 ( -1.133 9.360 0.891) 9.470 5.960 ( 5.737 5.622 0.055) 8.032 6.091 ( -2.398 3.486 -1.383) 4.452 6.346 ( 2.599 0.404 -2.426) 3.578 6.706 ( 4.935 -4.009 1.239) 6.478 7.082 ( -1.567 -5.174 -0.569) 5.436 8.127 ( -6.345 -0.753 -0.646) 6.422 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 6.009 2.980 1.142) 6.804 1.902 ( 0.813 -0.962 -0.960) 1.583 2.000 ( -0.978 2.181 -1.117) 2.639 2.447 ( -0.833 -0.154 2.065) 2.232 2.912 ( 15.454 5.139 -0.107) 16.286 3.825 ( -4.760 3.355 0.021) 5.824 6.070 ( 0.803 4.010 0.417) 4.111 6.117 ( 2.129 3.669 -0.502) 4.271 6.348 ( -0.164 -2.569 -2.739) 3.759 6.808 ( 9.184 -0.623 1.246) 9.289 7.024 ( -1.129 -1.957 -0.141) 2.264 8.003 ( -7.069 -0.959 -0.740) 7.172 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 4.819 3.163 0.554) 5.791 1.905 ( 0.381 -0.486 0.054) 0.620 1.985 ( -1.966 -0.432 -0.262) 2.030 2.431 ( -0.997 -0.360 0.668) 1.253 3.225 ( 15.011 6.042 0.100) 16.181 3.718 ( -8.695 -1.861 -0.272) 8.897 6.109 ( 0.299 2.065 0.671) 2.192 6.183 ( 1.767 3.395 0.063) 3.828 6.294 ( -1.133 -4.043 -1.864) 4.594 6.967 ( 6.876 2.005 0.027) 7.162 7.005 ( 0.336 -0.294 0.616) 0.761 7.882 ( -5.072 -1.477 -0.496) 5.306 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.099 -0.000 0.000) 0.099 1.915 ( -5.012 -0.000 0.000) 5.012 1.935 ( 4.371 0.000 -0.000) 4.371 2.416 ( -0.814 -0.000 0.000) 0.814 3.508 ( -13.137 -0.000 0.000) 13.137 3.510 ( 13.315 0.000 -0.000) 13.315 6.111 ( -1.271 -0.000 0.000) 1.271 6.221 ( -2.436 -0.000 0.000) 2.436 6.275 ( 5.057 0.000 -0.000) 5.057 6.997 ( -0.640 -0.000 0.000) 0.640 7.048 ( -0.298 -0.000 0.000) 0.298 7.832 ( 0.665 0.000 -0.000) 0.665 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.000 0.466 -1.605) 1.671 1.917 ( -0.000 -4.314 -7.315) 8.493 2.004 ( -0.000 4.246 -1.975) 4.683 2.309 ( 0.000 7.505 0.512) 7.522 2.504 ( 0.000 -2.194 5.092) 5.545 3.824 ( 0.000 12.264 1.714) 12.383 5.820 ( -0.000 3.922 -1.026) 4.054 6.166 ( -0.000 2.909 -3.888) 4.856 6.273 ( 0.000 2.618 0.977) 2.795 6.638 ( 0.000 -4.552 1.669) 4.849 7.108 ( -0.000 -6.623 -1.261) 6.742 8.247 ( -0.000 -0.765 -0.182) 0.786 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 4.131 0.719 -0.661) 4.245 1.862 ( 1.031 -3.461 -5.639) 6.697 2.029 ( -0.560 2.640 -0.798) 2.814 2.429 ( 5.207 5.235 0.442) 7.397 2.512 ( 2.685 -1.564 3.440) 4.635 3.918 ( -1.069 7.694 1.001) 7.832 5.897 ( 5.576 2.745 -0.711) 6.256 6.157 ( -2.294 2.536 -2.865) 4.461 6.317 ( 1.570 1.674 -0.325) 2.318 6.621 ( 1.818 -3.139 2.663) 4.500 7.047 ( -0.331 -4.395 -1.273) 4.588 8.209 ( -3.793 -0.343 -0.186) 3.813 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 6.854 0.947 0.320) 6.926 1.859 ( 2.371 -1.334 -2.000) 3.377 2.032 ( -0.980 1.211 -0.441) 1.619 2.472 ( -1.204 0.393 1.452) 1.927 2.682 ( 14.455 1.532 0.103) 14.536 3.933 ( -3.687 3.084 0.295) 4.816 6.033 ( 7.057 1.966 -0.093) 7.326 6.138 ( -1.614 1.599 -1.134) 2.539 6.334 ( -0.269 -0.270 -0.823) 0.907 6.666 ( 5.969 -1.279 1.461) 6.277 7.012 ( 0.018 -1.688 -0.598) 1.791 8.117 ( -6.671 -0.131 -0.212) 6.675 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 6.986 0.000 -0.000) 6.986 1.888 ( 1.626 0.000 -0.000) 1.626 2.017 ( -1.507 -0.000 0.000) 1.507 2.451 ( -1.442 -0.000 0.000) 1.442 2.964 ( 17.538 0.000 -0.000) 17.538 3.856 ( -7.199 -0.000 0.000) 7.199 6.125 ( -0.621 -0.000 0.000) 0.621 6.143 ( 4.505 0.000 -0.000) 4.505 6.307 ( -2.119 -0.000 0.000) 2.119 6.806 ( 10.600 0.000 -0.000) 10.600 7.007 ( 0.159 0.000 -0.000) 0.159 7.992 ( -7.824 -0.000 0.000) 7.824 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.000 0.135 -0.684) 0.697 1.805 ( -0.000 -2.523 -3.767) 4.534 2.051 ( -0.000 1.237 -0.302) 1.273 2.410 ( 0.000 2.604 0.198) 2.611 2.502 ( 0.000 -0.524 2.227) 2.288 3.988 ( 0.000 4.068 0.573) 4.108 5.861 ( -0.000 1.033 -0.532) 1.162 6.187 ( -0.000 1.170 -2.563) 2.817 6.321 ( 0.000 1.428 0.499) 1.513 6.592 ( 0.000 -1.532 2.185) 2.669 7.011 ( -0.000 -2.467 -0.956) 2.646 8.238 ( -0.000 -0.156 -0.042) 0.162 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 4.855 0.000 -0.000) 4.855 1.806 ( 2.140 0.000 -0.000) 2.140 2.051 ( -0.588 -0.000 0.000) 0.588 2.494 ( 8.365 0.000 -0.000) 8.365 2.496 ( -0.861 -0.000 0.000) 0.861 3.995 ( -1.666 -0.000 0.000) 1.666 5.920 ( 6.184 0.000 -0.000) 6.184 6.173 ( -1.687 -0.000 0.000) 1.687 6.334 ( 0.334 0.000 -0.000) 0.334 6.601 ( 1.774 0.000 -0.000) 1.774 6.999 ( 0.143 0.000 -0.000) 0.143 8.205 ( -3.773 -0.000 0.000) 3.773 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.175 ( 0.000 -0.000 20.718) 20.718 0.175 ( 0.000 -0.000 20.718) 20.718 0.349 ( 0.000 -0.000 41.303) 41.303 1.667 ( -0.000 0.000 -1.660) 1.660 1.667 ( -0.000 0.000 -1.660) 1.660 3.596 ( -0.000 0.000 -5.084) 5.084 5.110 ( 0.000 -0.000 0.595) 0.595 5.110 ( 0.000 -0.000 0.595) 0.595 6.411 ( -0.000 0.000 -0.322) 0.322 6.411 ( -0.000 0.000 -0.322) 0.322 8.241 ( 0.000 -0.000 0.831) 0.831 8.537 ( -0.000 0.000 -0.255) 0.255 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 13.820 7.979 4.136) 16.485 0.422 ( 11.325 6.539 13.831) 19.034 0.921 ( 28.794 16.624 21.311) 39.492 1.687 ( 1.726 0.996 -1.021) 2.239 1.730 ( 6.104 3.524 -3.466) 7.855 3.103 ( -6.423 -3.708 4.176) 8.512 5.140 ( 2.468 1.425 0.786) 2.956 6.370 ( -2.656 -1.534 -1.806) 3.560 6.394 ( -1.438 -0.830 -0.362) 1.699 6.590 ( 28.367 16.378 -47.619) 57.797 8.149 ( -9.925 -5.730 6.574) 13.212 8.386 ( -1.947 -1.124 3.096) 3.826 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 14.954 8.634 -0.848) 17.289 0.732 ( 13.798 7.966 3.258) 16.262 1.543 ( 19.565 11.296 13.720) 26.431 1.741 ( 3.341 1.929 -0.264) 3.866 1.954 ( 16.904 9.759 -3.534) 19.836 3.014 ( -2.730 -1.576 -1.915) 3.689 5.223 ( 4.817 2.781 0.745) 5.612 6.272 ( -5.275 -3.045 -1.203) 6.209 6.350 ( -2.254 -1.301 -0.334) 2.624 6.885 ( 10.947 6.320 -17.105) 21.269 7.919 ( -11.846 -6.839 6.005) 14.939 8.356 ( -1.885 -1.088 -2.762) 3.517 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 12.804 7.393 -2.408) 14.980 1.041 ( 13.813 7.975 -2.863) 16.204 1.836 ( 7.380 4.261 3.433) 9.188 1.839 ( 5.512 3.183 0.525) 6.387 2.437 ( 22.550 13.019 -0.569) 26.045 2.977 ( 0.534 0.308 0.819) 1.025 5.355 ( 6.810 3.932 0.442) 7.876 6.144 ( -5.528 -3.192 -1.951) 6.675 6.299 ( -2.123 -1.226 -0.184) 2.459 7.040 ( 6.180 3.568 -6.465) 9.629 7.660 ( -12.680 -7.321 4.134) 15.214 8.283 ( -3.434 -1.983 -4.343) 5.881 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 8.944 5.164 -2.808) 10.702 1.327 ( 12.961 7.483 -6.068) 16.149 1.959 ( 3.794 2.190 -0.325) 4.392 1.988 ( 7.584 4.379 0.964) 8.811 2.745 ( 3.888 2.245 -2.730) 5.254 3.154 ( 15.052 8.690 5.885) 18.349 5.521 ( 7.825 4.518 -0.059) 9.036 6.034 ( -3.283 -1.895 -2.858) 4.748 6.261 ( -1.184 -0.683 0.129) 1.373 7.121 ( 2.114 1.221 -2.146) 3.250 7.378 ( -13.455 -7.768 2.019) 15.667 8.200 ( -2.593 -1.497 -3.874) 4.896 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 5.397 3.116 -2.402) 6.678 1.583 ( 11.671 6.738 -6.954) 15.165 2.019 ( 2.206 1.274 -1.423) 2.918 2.166 ( 7.733 4.464 0.859) 8.970 2.729 ( -3.566 -2.059 1.721) 4.462 3.513 ( 14.015 8.091 3.143) 16.485 5.690 ( 7.186 4.149 -0.642) 8.322 5.997 ( 0.977 0.564 -3.397) 3.579 6.249 ( 0.057 0.033 0.586) 0.590 7.074 ( -13.906 -8.029 3.005) 16.337 7.129 ( -0.825 -0.477 -3.510) 3.637 8.158 ( -0.370 -0.214 -2.022) 2.066 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 2.976 1.718 -1.665) 3.818 1.801 ( 9.341 5.393 -6.195) 12.439 2.064 ( 2.695 1.556 -1.849) 3.620 2.319 ( 5.520 3.187 0.544) 6.398 2.616 ( -7.030 -4.059 3.928) 9.018 3.767 ( 8.250 4.763 1.597) 9.659 5.824 ( 4.895 2.826 -1.030) 5.745 6.062 ( 5.640 3.256 -3.251) 7.278 6.263 ( 0.799 0.461 0.953) 1.326 6.772 ( -13.346 -7.705 1.063) 15.447 7.096 ( -1.340 -0.774 -1.447) 2.119 8.163 ( 0.785 0.453 -0.410) 0.996 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 1.206 0.696 -0.853) 1.633 1.939 ( 3.760 2.171 -2.928) 5.237 2.152 ( 6.060 3.499 -4.359) 8.245 2.404 ( 1.898 1.096 0.239) 2.205 2.454 ( -8.031 -4.637 4.550) 10.330 3.891 ( 2.579 1.489 1.192) 3.208 5.898 ( 1.908 1.101 -0.846) 2.360 6.223 ( 9.323 5.382 -2.770) 11.116 6.280 ( 0.279 0.161 0.835) 0.895 6.499 ( -11.347 -6.551 2.127) 13.274 7.072 ( -0.365 -0.211 -0.854) 0.952 8.179 ( 0.497 0.287 0.388) 0.693 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.359 -0.207 0.061) 0.419 1.965 ( -0.793 -0.458 0.325) 0.972 2.213 ( -3.937 -2.273 1.136) 4.685 2.379 ( 4.631 2.674 -2.879) 6.073 2.401 ( -2.183 -1.261 -0.077) 2.522 3.889 ( -3.072 -1.773 1.016) 3.689 5.904 ( -1.245 -0.719 -0.141) 1.444 6.273 ( -8.342 -4.816 2.889) 10.057 6.274 ( -0.878 -0.507 0.228) 1.039 6.463 ( 11.494 6.636 -1.858) 13.401 7.079 ( 1.087 0.628 -0.153) 1.265 8.184 ( -0.154 -0.089 0.962) 0.978 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -2.048 -1.182 1.239) 2.669 1.895 ( -6.397 -3.694 4.306) 8.551 2.107 ( -4.102 -2.368 3.198) 5.715 2.309 ( -5.882 -3.396 -0.531) 6.813 2.527 ( 8.011 4.625 -6.284) 11.184 3.754 ( -9.373 -5.412 0.160) 10.825 5.839 ( -4.710 -2.719 0.555) 5.467 6.128 ( -5.391 -3.112 4.209) 7.514 6.251 ( -0.972 -0.561 -0.407) 1.193 6.729 ( 12.457 7.192 -3.782) 14.873 7.121 ( 2.589 1.495 1.171) 3.211 8.185 ( 0.029 0.017 1.989) 1.990 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.404 -2.543 2.926) 5.867 1.717 ( -10.733 -6.197 8.057) 14.782 2.042 ( -3.149 -1.818 1.355) 3.880 2.147 ( -8.158 -4.710 -1.295) 9.508 2.678 ( 6.711 3.875 -4.351) 8.887 3.469 ( -16.135 -9.315 -1.695) 18.708 5.703 ( -7.457 -4.306 0.730) 8.642 6.062 ( -1.458 -0.842 4.006) 4.346 6.239 ( 0.148 0.085 -0.606) 0.630 6.964 ( 9.111 5.260 -7.717) 13.047 7.210 ( 5.450 3.147 3.926) 7.417 8.207 ( 1.506 0.870 3.387) 3.808 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -8.270 -4.775 5.216) 10.881 1.471 ( -13.601 -7.853 9.935) 18.584 1.948 ( -5.780 -3.337 -1.254) 6.791 1.960 ( -7.720 -4.457 -2.369) 9.224 2.789 ( 2.069 1.194 1.724) 2.946 3.046 ( -18.970 -10.952 -5.916) 22.690 5.526 ( -8.226 -4.749 0.511) 9.512 6.084 ( 2.370 1.368 2.761) 3.887 6.255 ( 1.456 0.840 -0.489) 1.751 7.062 ( 2.162 1.248 -7.596) 7.995 7.399 ( 9.901 5.716 3.125) 11.852 8.271 ( 3.074 1.775 4.009) 5.355 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -12.950 -7.477 7.472) 16.716 1.169 ( -16.063 -9.274 10.661) 21.394 1.756 ( -11.535 -6.660 -4.699) 14.124 1.809 ( -4.967 -2.868 -3.001) 6.474 2.459 ( -24.006 -13.860 1.375) 27.754 2.944 ( 3.998 2.309 -2.910) 5.458 5.353 ( -7.141 -4.123 0.254) 8.250 6.172 ( 4.687 2.706 1.214) 5.547 6.297 ( 2.327 1.344 -0.338) 2.708 7.049 ( -1.250 -0.722 -5.559) 5.744 7.638 ( 10.732 6.196 1.603) 12.495 8.351 ( 2.799 1.616 3.111) 4.486 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -15.881 -9.169 9.490) 20.648 0.824 ( -17.551 -10.133 11.199) 23.154 1.354 ( -23.914 -13.807 -6.352) 28.334 1.720 ( -2.471 -1.427 -2.775) 3.980 2.000 ( -15.802 -9.123 1.528) 18.310 3.020 ( 3.060 1.767 -0.927) 3.653 5.218 ( -4.987 -2.879 0.174) 5.761 6.283 ( 4.843 2.796 -0.012) 5.593 6.351 ( 2.374 1.371 -0.263) 2.754 6.986 ( -2.818 -1.627 -7.520) 8.194 7.878 ( 10.321 5.959 2.287) 12.136 8.396 ( 0.418 0.241 1.520) 1.595 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 22.506 5.482) 23.164 0.568 ( 0.000 17.208 15.653) 23.262 0.857 ( 0.000 23.871 25.698) 35.075 1.651 ( -0.000 0.485 -3.955) 3.984 1.751 ( -0.000 8.675 -1.701) 8.841 3.114 ( 0.000 -9.575 3.562) 10.217 5.140 ( 0.000 2.822 0.839) 2.944 6.337 ( -0.000 7.314 -15.147) 16.820 6.391 ( -0.000 -1.750 -0.538) 1.831 6.469 ( -0.000 28.015 -33.563) 43.718 8.165 ( 0.000 -10.535 5.296) 11.792 8.409 ( 0.000 -2.419 3.191) 4.004 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -2.938 16.024 15.440) 22.446 0.786 ( 3.669 22.299 0.818) 22.614 1.379 ( 19.758 17.573 16.844) 31.351 1.683 ( 4.033 1.099 -3.812) 5.657 1.888 ( 5.152 14.420 -2.376) 15.496 3.022 ( -2.067 -4.331 -2.465) 5.395 5.198 ( 2.471 4.207 0.961) 4.973 6.300 ( -2.512 -4.367 -1.493) 5.254 6.361 ( -0.952 -2.008 -0.549) 2.290 6.722 ( 10.470 14.155 -24.422) 30.107 8.009 ( -6.723 -11.503 6.320) 14.746 8.381 ( -2.258 -0.234 -1.272) 2.602 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 5.110 12.024 8.864) 15.788 1.060 ( 4.835 19.794 -2.853) 20.574 1.746 ( 7.780 3.678 1.843) 8.801 1.798 ( 6.685 5.871 2.805) 9.328 2.254 ( 17.339 20.356 -0.080) 26.740 2.962 ( 0.059 -2.146 -2.227) 3.094 5.307 ( 4.620 5.581 0.906) 7.301 6.188 ( -4.658 -4.553 -1.550) 6.695 6.321 ( -1.623 -1.203 -0.452) 2.070 6.924 ( 8.838 5.310 -11.829) 15.692 7.780 ( -9.741 -10.447 5.408) 15.274 8.314 ( -3.782 -1.536 -3.503) 5.379 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 7.856 8.222 3.189) 11.810 1.305 ( 4.931 16.271 -4.896) 17.692 1.885 ( 6.344 2.435 -1.097) 6.883 1.956 ( 4.546 6.645 1.592) 8.207 2.670 ( 9.769 9.588 -3.479) 14.123 3.035 ( 9.787 5.916 4.464) 12.277 5.460 ( 6.091 6.726 0.619) 9.095 6.066 ( -4.239 -3.361 -2.220) 5.848 6.287 ( -1.692 0.343 -0.372) 1.766 7.052 ( 5.770 0.988 -6.116) 8.466 7.518 ( -11.716 -9.499 4.200) 15.657 8.219 ( -3.566 -2.344 -3.849) 5.747 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.575 5.633 0.201) 8.660 1.515 ( 5.662 12.559 -5.623) 14.880 1.977 ( 3.458 0.767 -1.572) 3.875 2.120 ( 5.814 8.328 1.005) 10.206 2.752 ( -0.368 -0.192 -0.843) 0.940 3.371 ( 14.529 10.424 3.871) 18.295 5.633 ( 6.170 7.190 0.128) 9.475 5.988 ( -1.223 -1.083 -2.705) 3.160 6.273 ( -1.223 1.960 -0.161) 2.316 7.098 ( 1.869 -1.795 -5.633) 6.200 7.235 ( -12.951 -8.098 4.344) 15.880 8.148 ( -0.936 -2.196 -2.483) 3.444 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.389 4.430 -0.795) 5.634 1.709 ( 7.012 8.883 -5.464) 12.567 2.026 ( 2.661 0.406 -1.570) 3.116 2.291 ( 4.578 7.690 0.963) 9.001 2.699 ( -4.803 -1.733 1.905) 5.450 3.672 ( 10.191 6.590 2.028) 12.305 5.792 ( 4.484 6.666 -0.447) 8.046 5.999 ( 3.339 1.485 -2.639) 4.508 6.282 ( -0.644 2.940 0.153) 3.014 6.924 ( -12.782 -7.307 -1.030) 14.759 7.099 ( -0.981 -1.658 -0.275) 1.946 8.131 ( 1.630 -1.977 -0.725) 2.663 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.904 3.591 -0.817) 3.793 1.872 ( 5.730 4.446 -4.338) 8.451 2.081 ( 4.090 1.475 -2.341) 4.938 2.407 ( 1.334 4.114 1.396) 4.545 2.584 ( -7.980 0.368 2.278) 8.307 3.848 ( 5.249 2.483 1.486) 5.994 5.900 ( 1.633 5.474 -0.733) 5.759 6.106 ( 7.342 2.612 -2.034) 8.054 6.304 ( -0.357 3.331 0.126) 3.352 6.650 ( -12.425 -5.155 1.052) 13.493 7.072 ( -0.492 -0.837 -1.081) 1.453 8.147 ( 2.311 -2.186 0.298) 3.196 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.852 2.573 -0.360) 2.734 1.948 ( 2.031 0.162 -1.482) 2.520 2.170 ( 4.707 0.379 -4.018) 6.200 2.391 ( -3.550 -2.192 2.954) 5.112 2.510 ( -5.988 8.049 -0.122) 10.032 3.906 ( 0.192 -0.842 1.508) 1.738 5.944 ( -1.621 3.839 -0.430) 4.189 6.221 ( 3.394 -2.990 -0.149) 4.525 6.367 ( 3.697 6.288 -2.063) 7.581 6.439 ( -8.231 -0.036 3.135) 8.808 7.065 ( 0.597 -0.010 -0.765) 0.970 8.160 ( 1.794 -2.570 0.823) 3.241 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -2.332 1.075 0.451) 2.607 1.944 ( -1.707 -1.965 1.161) 2.850 2.152 ( -2.973 -3.903 1.472) 5.122 2.362 ( -1.163 -0.536 -1.218) 1.767 2.507 ( -2.195 9.176 -2.898) 9.870 3.843 ( -5.828 -3.592 1.140) 6.940 5.915 ( -4.962 1.406 0.248) 5.164 6.165 ( -3.046 -5.541 2.070) 6.653 6.319 ( -5.235 2.782 1.262) 6.061 6.599 ( 10.575 8.233 -2.592) 13.650 7.089 ( 2.206 0.350 0.072) 2.235 8.165 ( 1.513 -2.570 1.508) 3.342 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -3.919 -1.425 1.834) 4.556 1.851 ( -7.241 -3.004 4.516) 9.047 2.076 ( -2.783 -2.446 1.974) 4.198 2.262 ( -8.535 -1.166 -0.787) 8.650 2.605 ( 4.764 6.347 -4.987) 9.373 3.641 ( -13.164 -6.099 -0.010) 14.508 5.808 ( -8.034 -1.173 0.655) 8.146 6.082 ( -1.919 -3.377 3.114) 4.979 6.281 ( -3.326 3.317 0.240) 4.703 6.843 ( 10.151 7.194 -5.717) 13.692 7.150 ( 4.606 0.428 2.082) 5.073 8.180 ( 2.382 -1.730 2.520) 3.875 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -6.447 -5.520 4.138) 9.443 1.686 ( -11.581 -1.299 6.501) 13.345 2.000 ( -4.333 -2.768 -0.422) 5.159 2.081 ( -10.600 -1.495 -0.944) 10.747 2.735 ( 5.882 4.028 -2.759) 7.644 3.286 ( -20.704 -8.135 -1.651) 22.306 5.641 ( -9.554 -2.633 0.633) 9.931 6.063 ( 1.270 -0.957 2.529) 2.988 6.272 ( -1.496 3.026 -0.163) 3.380 7.005 ( 4.663 3.851 -8.166) 10.161 7.283 ( 9.334 1.888 3.743) 10.232 8.230 ( 3.894 -0.424 3.066) 4.975 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -10.432 -9.892 6.720) 15.870 1.475 ( -15.840 0.627 6.478) 17.125 1.859 ( -8.219 -3.532 -3.389) 9.566 1.901 ( -8.966 -1.019 -0.739) 9.054 2.781 ( -23.103 -5.873 4.030) 24.176 2.878 ( 2.200 0.019 -6.692) 7.044 5.458 ( -9.116 -2.614 0.471) 9.495 6.115 ( 4.259 0.587 1.183) 4.459 6.288 ( 0.450 2.176 -0.263) 2.238 7.042 ( 0.118 1.195 -6.664) 6.771 7.497 ( 11.834 2.789 2.508) 12.415 8.308 ( 4.323 0.154 2.242) 4.872 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -13.769 -11.098 8.480) 19.613 1.192 ( -19.965 -0.954 3.522) 20.295 1.624 ( -16.860 -2.500 -0.116) 17.045 1.771 ( -5.449 0.375 -2.297) 5.925 2.274 ( -25.319 -5.518 0.276) 25.915 2.966 ( 4.536 1.300 -1.652) 4.999 5.300 ( -7.304 -1.531 0.400) 7.474 6.210 ( 5.763 0.820 -0.037) 5.821 6.324 ( 1.891 1.090 -0.272) 2.199 7.009 ( -2.837 0.722 -7.148) 7.724 7.731 ( 12.357 2.008 2.700) 12.807 8.373 ( 2.763 -0.430 0.427) 2.828 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 20.680 4.590) 21.183 0.974 ( 0.000 16.148 12.741) 20.569 1.425 ( 0.000 20.810 14.974) 25.637 1.646 ( -0.000 2.179 -6.039) 6.420 2.002 ( -0.000 18.999 -1.190) 19.037 2.981 ( -0.000 -5.273 -4.042) 6.644 5.228 ( 0.000 5.748 0.960) 5.828 6.272 ( -0.000 -4.523 -1.275) 4.699 6.342 ( -0.000 -2.798 -0.670) 2.877 6.714 ( -0.000 13.491 -20.254) 24.336 7.957 ( 0.000 -13.435 5.455) 14.501 8.396 ( -0.000 -0.631 -1.479) 1.608 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -5.212 14.848 13.405) 20.672 1.202 ( 1.622 20.069 -0.714) 20.147 1.677 ( 4.639 4.943 -0.949) 6.845 1.747 ( 8.452 9.497 4.764) 13.577 2.267 ( 7.294 24.383 -0.786) 25.463 2.921 ( 0.312 -3.869 -3.701) 5.363 5.313 ( 2.400 7.111 1.061) 7.580 6.200 ( -2.731 -4.819 -0.993) 5.627 6.316 ( 0.164 -2.189 -0.595) 2.275 6.820 ( 5.579 6.857 -13.258) 15.935 7.801 ( -4.615 -12.917 4.825) 14.541 8.354 ( -3.163 -1.430 -2.598) 4.336 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -1.281 12.175 9.493) 15.491 1.404 ( 1.704 17.294 -3.745) 17.777 1.805 ( 6.100 4.181 -2.139) 7.699 1.950 ( 5.236 7.414 2.574) 9.434 2.622 ( 7.987 14.698 -4.575) 17.342 2.956 ( 7.029 4.804 2.995) 9.025 5.449 ( 4.396 8.378 1.185) 9.535 6.095 ( -4.002 -3.841 -1.561) 5.763 6.304 ( 0.001 -0.225 -0.742) 0.775 6.934 ( 6.503 1.188 -8.089) 10.446 7.593 ( -7.636 -11.461 4.286) 14.423 8.257 ( -4.800 -2.312 -3.303) 6.269 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 1.848 9.364 5.413) 10.973 1.571 ( 1.862 13.789 -4.752) 14.704 1.918 ( 4.143 1.668 -1.675) 4.770 2.121 ( 5.341 9.639 1.230) 11.088 2.737 ( 1.931 0.978 -3.158) 3.828 3.263 ( 12.959 13.265 3.886) 18.947 5.620 ( 5.272 9.165 1.112) 10.632 6.002 ( -2.822 -1.793 -2.010) 3.901 6.308 ( -0.275 2.156 -1.098) 2.435 7.003 ( 4.682 -2.438 -6.022) 8.009 7.357 ( -9.809 -9.288 4.111) 14.120 8.150 ( -3.496 -2.861 -2.871) 5.352 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 2.296 7.493 2.724) 8.297 1.712 ( 2.736 10.458 -4.215) 11.602 1.975 ( 2.923 -0.036 -1.726) 3.395 2.306 ( 4.474 9.377 1.582) 10.509 2.746 ( -0.925 0.645 -0.177) 1.142 3.576 ( 10.254 8.675 1.833) 13.556 5.794 ( 4.436 8.799 0.751) 9.882 5.970 ( 0.633 0.773 -1.922) 2.166 6.327 ( -0.567 3.766 -1.373) 4.048 6.988 ( -1.958 -5.090 -5.751) 7.926 7.138 ( -7.367 -4.880 4.292) 9.824 8.083 ( -0.008 -3.345 -1.498) 3.665 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.545 6.333 0.956) 6.428 1.836 ( 3.284 6.284 -3.085) 7.732 2.022 ( 3.551 0.262 -1.660) 3.929 2.430 ( 1.376 3.781 2.301) 4.635 2.727 ( -4.571 6.011 0.114) 7.552 3.777 ( 6.667 3.109 1.126) 7.442 5.929 ( 2.445 7.080 0.287) 7.496 6.028 ( 4.358 2.734 -1.351) 5.318 6.350 ( -0.747 3.873 -1.558) 4.241 6.804 ( -10.642 -4.037 -0.442) 11.391 7.068 ( -0.637 -1.291 -0.098) 1.443 8.071 ( 2.696 -4.006 -0.267) 4.836 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.471 5.255 0.270) 5.464 1.911 ( 2.168 1.416 -1.837) 3.175 2.090 ( 4.251 0.591 -2.561) 4.998 2.429 ( -2.411 -1.982 2.746) 4.157 2.722 ( -6.893 12.349 -0.555) 14.153 3.872 ( 3.258 -1.000 1.335) 3.660 6.012 ( -0.392 5.681 0.213) 5.699 6.129 ( 5.032 0.351 -0.543) 5.074 6.375 ( 0.768 3.545 -2.185) 4.234 6.612 ( -10.154 1.430 2.175) 10.483 7.057 ( 0.061 -0.086 -0.972) 0.977 8.083 ( 3.375 -4.573 0.420) 5.698 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -3.279 3.598 0.362) 4.882 1.934 ( 0.765 -0.916 -0.395) 1.257 2.127 ( 1.381 -2.643 -2.082) 3.637 2.378 ( -1.843 -0.442 1.257) 2.275 2.712 ( -8.579 12.279 -1.007) 15.013 3.874 ( -1.152 -3.229 1.434) 3.716 6.018 ( -4.020 3.021 0.498) 5.053 6.152 ( -0.572 -3.599 0.632) 3.699 6.422 ( -0.682 2.049 -1.141) 2.442 6.563 ( 0.284 9.371 0.884) 9.417 7.062 ( 0.953 -0.122 -0.739) 1.212 8.094 ( 3.120 -4.588 0.926) 5.625 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -4.983 0.867 1.050) 5.166 1.913 ( -2.180 -1.648 1.196) 2.983 2.089 ( -1.259 -3.054 0.206) 3.310 2.352 ( -2.688 -0.031 -0.482) 2.731 2.680 ( -6.288 9.409 -2.137) 11.516 3.771 ( -7.661 -4.181 0.874) 8.771 5.941 ( -7.449 0.662 0.810) 7.522 6.085 ( -2.211 -3.715 1.392) 4.542 6.396 ( -4.764 4.224 0.538) 6.390 6.743 ( 8.506 8.370 -3.164) 12.346 7.086 ( 2.895 -1.035 0.541) 3.122 8.110 ( 3.405 -3.678 1.453) 5.219 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -6.898 -2.404 2.404) 7.690 1.836 ( -6.108 -0.802 2.400) 6.612 2.035 ( -2.632 -2.182 -0.495) 3.454 2.251 ( -9.322 -0.019 0.294) 9.327 2.700 ( 1.208 5.191 -2.618) 5.938 3.535 ( -15.860 -4.363 0.110) 16.449 5.792 ( -10.130 -0.865 0.722) 10.192 6.041 ( 0.058 -2.093 1.302) 2.466 6.357 ( -4.417 3.616 0.158) 5.711 6.939 ( 6.731 6.438 -6.441) 11.324 7.155 ( 6.990 -1.604 3.285) 7.889 8.152 ( 4.557 -2.144 1.544) 5.268 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.851 -4.481 3.752) 11.454 1.703 ( -10.214 -0.639 1.471) 10.339 1.946 ( -5.558 -1.247 -2.318) 6.149 2.071 ( -11.417 0.052 1.313) 11.492 2.788 ( 5.044 2.246 -2.204) 5.945 3.166 ( -23.624 -3.005 0.590) 23.822 5.608 ( -10.650 -1.107 0.610) 10.725 6.055 ( 2.860 -0.765 0.279) 2.974 6.324 ( -2.446 1.756 -0.174) 3.016 7.033 ( 1.559 3.318 -5.526) 6.632 7.318 ( 11.805 -0.317 2.973) 12.178 8.225 ( 5.376 -1.141 0.532) 5.522 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -13.277 -3.308 4.099) 14.284 1.468 ( -15.858 -3.510 -2.766) 16.475 1.827 ( -8.137 1.836 -0.254) 8.345 1.903 ( -9.433 0.640 1.863) 9.637 2.695 ( -25.426 -1.274 -3.161) 25.653 2.906 ( 2.407 2.379 2.354) 4.123 5.433 ( -9.391 -0.162 0.527) 9.407 6.116 ( 5.142 -0.606 -0.767) 5.234 6.312 ( 0.045 0.052 -0.233) 0.243 7.047 ( -1.437 2.601 -4.211) 5.154 7.531 ( 12.999 -0.849 2.439) 13.253 8.299 ( 4.726 -1.305 -1.381) 5.093 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 10.195 8.401) 13.210 1.362 ( 0.000 17.808 2.470) 17.979 1.693 ( -0.000 7.326 -5.713) 9.290 1.784 ( 0.000 10.731 7.480) 13.081 2.447 ( -0.000 24.830 -2.545) 24.960 2.871 ( -0.000 -2.705 -2.075) 3.409 5.370 ( 0.000 8.256 0.850) 8.300 6.180 ( -0.000 -4.051 -0.462) 4.077 6.283 ( -0.000 -2.719 -0.622) 2.789 6.800 ( -0.000 4.878 -10.919) 11.959 7.722 ( 0.000 -13.485 3.782) 14.006 8.360 ( -0.000 -1.826 -2.427) 3.037 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -3.053 7.697 6.192) 10.339 1.539 ( 0.706 15.377 -1.007) 15.426 1.782 ( 2.185 8.777 -1.944) 9.251 1.940 ( 5.128 7.501 2.628) 9.459 2.644 ( 2.400 8.596 -7.604) 11.725 2.939 ( 4.910 12.706 5.160) 14.566 5.478 ( 2.623 9.156 0.899) 9.567 6.117 ( -2.969 -3.023 -0.964) 4.346 6.277 ( 1.746 -1.386 -0.621) 2.314 6.835 ( 3.536 0.861 -7.615) 8.440 7.576 ( -3.239 -12.619 3.060) 13.382 8.302 ( -3.631 -2.148 -2.629) 4.971 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -0.535 7.063 4.798) 8.555 1.674 ( 0.142 12.783 -3.467) 13.246 1.883 ( 2.094 3.990 -0.854) 4.587 2.120 ( 6.389 9.535 0.808) 11.506 2.688 ( 2.806 -0.821 -3.825) 4.814 3.239 ( 8.504 17.787 3.846) 20.087 5.634 ( 4.540 9.808 1.175) 10.872 6.035 ( -3.467 -1.290 -1.533) 4.004 6.305 ( 2.070 0.934 -1.327) 2.630 6.879 ( 4.736 -2.713 -5.137) 7.495 7.397 ( -5.446 -10.714 2.733) 12.325 8.194 ( -5.395 -2.323 -2.632) 6.437 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 1.421 7.145 4.114) 8.367 1.777 ( 0.436 10.059 -3.661) 10.713 1.929 ( 1.821 0.356 -1.484) 2.376 2.320 ( 5.203 9.091 1.835) 10.634 2.731 ( 3.536 0.869 -0.979) 3.770 3.528 ( 7.312 11.853 1.569) 14.016 5.811 ( 4.596 9.488 1.292) 10.622 5.983 ( -1.649 0.995 -1.491) 2.435 6.348 ( 1.399 2.645 -2.418) 3.847 6.907 ( 3.769 -4.044 -3.804) 6.710 7.213 ( -6.513 -7.642 2.794) 10.423 8.080 ( -4.056 -2.740 -2.090) 5.322 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 0.910 7.158 2.863) 7.763 1.861 ( 0.639 6.558 -1.839) 6.841 1.960 ( 3.025 -0.260 -1.748) 3.503 2.442 ( 1.559 2.480 2.498) 3.849 2.826 ( 2.225 8.727 -0.483) 9.019 3.711 ( 5.006 4.375 0.419) 6.662 5.953 ( 2.362 6.205 0.750) 6.682 6.007 ( 2.171 4.388 -0.549) 4.926 6.379 ( 0.222 2.084 -3.216) 3.839 6.889 ( -2.259 -1.900 -1.843) 3.480 7.077 ( -3.021 -3.392 1.935) 4.937 8.005 ( -0.530 -3.884 -1.178) 4.093 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -1.180 6.809 1.474) 7.066 1.903 ( 0.283 1.726 -0.748) 1.902 2.021 ( 3.982 0.394 -1.583) 4.303 2.448 ( -1.210 -1.748 2.126) 3.006 2.942 ( -2.732 14.733 -0.597) 14.995 3.794 ( 3.969 -1.995 0.526) 4.473 6.046 ( 3.054 4.609 0.819) 5.589 6.085 ( 1.300 3.271 -0.181) 3.525 6.379 ( 0.109 -0.079 -3.215) 3.218 6.800 ( -7.845 3.790 1.355) 8.818 7.052 ( 0.401 -0.282 -0.443) 0.661 7.978 ( 2.655 -5.237 -0.338) 5.881 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -3.656 5.595 0.919) 6.746 1.914 ( 0.581 -0.232 -0.471) 0.783 2.065 ( 2.470 -2.071 -1.643) 3.618 2.408 ( -1.845 -1.054 1.448) 2.571 2.989 ( -8.652 14.638 -0.778) 17.022 3.821 ( 3.170 -4.842 1.013) 5.876 6.093 ( -2.153 0.951 0.254) 2.367 6.131 ( 1.420 1.555 1.034) 2.346 6.388 ( 2.995 -0.195 -2.777) 4.089 6.741 ( -7.027 9.291 2.164) 11.848 7.052 ( -0.160 -0.153 -1.200) 1.220 7.984 ( 4.084 -5.510 0.246) 6.863 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -6.032 2.716 0.918) 6.679 1.916 ( 0.157 -0.693 0.012) 0.711 2.061 ( 0.860 -2.792 -1.162) 3.144 2.382 ( -1.321 0.143 0.691) 1.498 2.932 ( -11.755 10.013 -0.831) 15.463 3.806 ( -0.694 -4.082 0.848) 4.226 6.043 ( -3.754 -0.756 0.755) 3.903 6.112 ( -3.825 -0.802 0.653) 3.963 6.452 ( 2.849 1.717 -1.678) 3.726 6.763 ( -1.772 10.091 0.661) 10.267 7.041 ( 0.773 -1.965 -0.655) 2.211 8.008 ( 4.373 -4.234 0.508) 6.108 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -7.525 -0.285 1.322) 7.646 1.898 ( -2.009 -0.511 0.523) 2.138 2.040 ( -0.579 -1.439 -1.442) 2.118 2.356 ( -3.082 0.215 1.015) 3.252 2.814 ( -9.210 4.595 -0.836) 10.326 3.707 ( -8.024 -2.225 0.349) 8.334 5.947 ( -8.020 -0.348 0.691) 8.058 6.039 ( -2.256 -1.548 0.269) 2.750 6.461 ( -3.519 1.964 -0.838) 4.116 6.881 ( 5.610 7.123 -2.566) 9.423 7.049 ( 3.407 -3.297 1.583) 4.999 8.054 ( 4.741 -2.231 0.236) 5.244 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -8.807 -1.237 1.564) 9.030 1.827 ( -6.080 -1.241 -0.518) 6.227 2.001 ( -2.582 0.054 -2.530) 3.615 2.260 ( -9.379 0.150 1.897) 9.570 2.755 ( -0.405 1.033 -0.522) 1.226 3.494 ( -16.329 0.145 0.720) 16.346 5.784 ( -10.692 -0.315 0.543) 10.710 6.016 ( 0.598 -0.680 -0.697) 1.143 6.392 ( -4.570 -0.176 -0.769) 4.638 7.022 ( 3.235 5.367 -4.484) 7.705 7.122 ( 9.924 -3.929 3.911) 11.367 8.123 ( 5.225 -0.862 -0.825) 5.360 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -10.628 0.625 0.898) 10.684 1.652 ( -11.742 -3.303 -4.345) 12.949 1.948 ( -4.333 2.226 -1.564) 5.116 2.086 ( -11.079 0.227 2.401) 11.339 2.785 ( 2.435 -0.771 -2.138) 3.331 3.195 ( -21.276 4.289 3.557) 21.993 5.606 ( -10.578 0.609 0.421) 10.604 6.036 ( 2.905 -0.662 -1.804) 3.483 6.322 ( -2.231 -1.713 -0.471) 2.852 7.076 ( 0.377 2.973 -1.377) 3.298 7.300 ( 13.041 -3.032 1.638) 13.489 8.197 ( 5.007 -0.854 -2.497) 5.660 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 2.545 0.479) 2.589 1.671 ( -0.000 13.383 0.011) 13.383 1.884 ( -0.000 12.981 -0.557) 12.993 1.950 ( 0.000 4.345 0.278) 4.354 2.634 ( -0.000 -1.244 -5.653) 5.788 3.089 ( 0.000 21.912 5.439) 22.577 5.545 ( 0.000 9.180 0.318) 9.186 6.121 ( -0.000 -1.456 -1.246) 1.916 6.239 ( -0.000 -1.359 -0.210) 1.375 6.789 ( -0.000 -0.852 -5.556) 5.621 7.486 ( 0.000 -12.440 1.849) 12.576 8.308 ( -0.000 -2.018 -2.241) 3.016 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.014 2.437 -0.149) 2.644 1.783 ( -0.386 10.852 -2.143) 11.068 1.926 ( -2.174 3.905 -1.506) 4.716 2.097 ( 7.032 9.740 -0.456) 12.022 2.618 ( 1.974 -3.017 -0.948) 3.728 3.342 ( 3.142 20.569 3.651) 21.125 5.661 ( 3.304 8.999 0.233) 9.589 6.080 ( -3.002 0.043 -1.875) 3.540 6.261 ( 2.908 0.223 -0.592) 2.976 6.779 ( 2.354 -3.063 -3.165) 4.994 7.357 ( -2.089 -11.124 1.062) 11.368 8.250 ( -3.850 -1.723 -2.049) 4.689 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 3.288 3.632 1.236) 5.052 1.857 ( -0.437 8.316 -4.544) 9.486 1.920 ( -0.419 0.543 -0.742) 1.011 2.315 ( 6.577 9.186 1.166) 11.357 2.648 ( 5.084 -1.658 0.762) 5.401 3.578 ( 2.985 14.861 1.715) 15.255 5.822 ( 5.172 8.664 0.553) 10.105 6.031 ( -2.851 1.824 -1.811) 3.839 6.320 ( 3.174 1.379 -2.028) 4.011 6.790 ( 3.980 -4.179 -1.234) 5.901 7.217 ( -3.191 -8.775 0.759) 9.368 8.145 ( -5.976 -1.427 -1.838) 6.413 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.903 4.812 2.160) 6.561 1.912 ( 1.775 2.941 -4.229) 5.448 1.921 ( -0.938 2.582 0.673) 2.828 2.445 ( 1.454 2.244 2.499) 3.660 2.794 ( 9.804 5.871 -0.030) 11.427 3.721 ( 0.648 7.531 0.237) 7.563 5.976 ( 2.922 6.371 0.509) 7.028 6.027 ( 0.328 4.395 -0.782) 4.477 6.364 ( 1.551 0.278 -3.342) 3.695 6.834 ( 5.232 -1.981 -0.062) 5.595 7.096 ( -3.119 -5.460 0.901) 6.353 8.026 ( -5.509 -1.795 -1.499) 5.984 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.996 5.712 1.581) 6.254 1.917 ( -0.199 -0.253 0.224) 0.392 1.970 ( 1.937 2.188 -1.485) 3.278 2.453 ( -0.757 -1.347 1.731) 2.320 3.039 ( 7.865 11.883 -0.056) 14.251 3.747 ( -1.160 -0.394 -0.294) 1.260 6.046 ( 1.576 4.187 0.457) 4.497 6.108 ( 1.509 4.613 0.145) 4.855 6.355 ( -0.001 -2.348 -3.244) 4.004 6.907 ( 1.275 3.286 0.392) 3.546 7.031 ( 0.162 -2.069 0.772) 2.214 7.928 ( -2.636 -3.270 -0.997) 4.317 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -1.503 6.230 1.052) 6.494 1.910 ( -0.343 -0.245 -0.002) 0.421 2.000 ( 2.027 -2.306 -0.719) 3.153 2.426 ( -1.154 -1.095 0.860) 1.808 3.237 ( -1.605 15.407 -0.278) 15.492 3.703 ( 2.068 -7.601 0.156) 7.879 6.105 ( 0.529 0.990 0.418) 1.198 6.159 ( 0.311 4.379 0.978) 4.498 6.324 ( 1.520 -3.160 -2.720) 4.438 6.925 ( -3.858 6.499 1.643) 7.735 7.048 ( 0.809 0.063 -0.858) 1.181 7.879 ( 1.623 -4.380 -0.378) 4.686 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -6.080 3.096 0.858) 6.877 1.907 ( 0.273 -0.132 -0.066) 0.310 2.006 ( 2.340 -2.365 -0.697) 3.399 2.404 ( -1.009 -0.222 0.570) 1.180 3.230 ( -12.714 8.872 -0.363) 15.508 3.716 ( 6.224 -5.138 0.350) 8.078 6.082 ( -2.419 -0.787 0.376) 2.571 6.175 ( -2.750 0.940 0.638) 2.975 6.368 ( 6.105 0.165 -1.763) 6.357 6.931 ( -4.763 7.984 1.855) 9.480 7.019 ( -1.558 -3.003 -1.390) 3.657 7.896 ( 4.487 -2.902 -0.100) 5.345 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -7.624 -0.508 0.723) 7.675 1.910 ( -0.042 -0.025 0.095) 0.107 2.026 ( 0.996 0.293 -0.958) 1.412 2.389 ( -0.922 -0.030 1.067) 1.410 3.040 ( -13.750 0.397 -0.009) 13.756 3.757 ( 0.467 -0.371 -0.127) 0.609 6.029 ( -3.254 -0.321 0.249) 3.279 6.106 ( -5.342 -0.387 -0.010) 5.356 6.465 ( 3.814 0.550 -1.678) 4.203 6.897 ( -2.777 -0.487 0.091) 2.821 6.997 ( 0.879 0.670 0.649) 1.282 7.960 ( 4.806 -0.291 -0.453) 4.836 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -7.807 -0.897 0.603) 7.881 1.890 ( -2.791 -0.437 -0.544) 2.877 2.028 ( -1.137 1.414 -2.524) 3.108 2.370 ( -2.868 0.173 2.402) 3.745 2.826 ( -8.737 -3.314 0.473) 9.356 3.704 ( -7.629 1.838 -0.001) 7.848 5.941 ( -7.780 -0.393 0.020) 7.790 6.029 ( -2.787 0.689 -0.855) 2.996 6.451 ( -3.623 -2.082 -1.846) 4.568 6.915 ( 8.133 -4.608 0.840) 9.385 7.034 ( 1.257 2.497 0.295) 2.812 8.040 ( 4.364 1.317 -1.252) 4.727 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -7.987 0.950 -0.282) 8.049 1.784 ( -8.424 -1.362 -3.884) 9.376 2.011 ( -1.910 2.047 -2.386) 3.678 2.272 ( -9.549 -0.131 2.150) 9.789 2.735 ( 0.994 -2.883 1.413) 3.361 3.547 ( -14.470 4.335 1.396) 15.170 5.786 ( -9.978 0.329 0.043) 9.984 6.009 ( -0.441 0.885 -2.357) 2.556 6.347 ( -3.882 -3.408 -0.926) 5.248 7.043 ( 10.945 -6.630 4.825) 13.676 7.088 ( 3.060 3.326 -3.787) 5.896 8.117 ( 3.757 1.308 -2.304) 4.597 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -0.000 1.029 -2.101) 2.339 1.875 ( -0.000 8.463 -3.241) 9.062 1.955 ( -0.000 -1.450 -5.450) 5.639 2.128 ( 0.000 11.355 0.830) 11.385 2.575 ( 0.000 -3.089 3.250) 4.484 3.524 ( 0.000 19.169 2.930) 19.392 5.708 ( -0.000 7.366 -0.585) 7.389 6.109 ( -0.000 1.414 -3.418) 3.699 6.236 ( 0.000 1.057 0.553) 1.193 6.723 ( -0.000 -3.643 -0.709) 3.712 7.270 ( -0.000 -10.318 -0.136) 10.319 8.264 ( -0.000 -1.259 -1.593) 2.031 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 3.290 1.427 -1.235) 3.793 1.891 ( -0.306 -0.003 -9.454) 9.459 1.951 ( -0.561 4.250 1.257) 4.468 2.291 ( 6.346 9.119 0.378) 11.116 2.571 ( 1.801 -2.927 4.326) 5.525 3.703 ( 0.450 14.813 1.686) 14.916 5.809 ( 4.498 6.213 -0.605) 7.694 6.093 ( -2.461 2.576 -3.326) 4.874 6.279 ( 2.538 1.795 -0.371) 3.131 6.701 ( 1.752 -4.051 1.159) 4.563 7.167 ( -1.066 -8.421 -0.685) 8.516 8.217 ( -3.909 -0.739 -1.311) 4.189 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 5.955 2.260 0.398) 6.382 1.877 ( 1.646 -0.859 -4.716) 5.068 1.980 ( -1.032 4.005 -0.127) 4.138 2.451 ( 2.197 3.567 1.891) 4.596 2.648 ( 10.226 1.096 1.508) 10.394 3.816 ( -1.463 9.122 0.433) 9.249 5.960 ( 6.083 5.463 -0.257) 8.180 6.076 ( -1.764 3.612 -2.095) 4.533 6.329 ( 1.799 0.602 -1.689) 2.540 6.719 ( 4.676 -3.291 1.754) 5.981 7.077 ( -1.217 -5.503 -0.520) 5.660 8.120 ( -6.482 -0.370 -1.105) 6.586 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 6.144 2.580 0.639) 6.694 1.894 ( 1.743 -0.624 -0.927) 2.070 1.994 ( -1.032 2.594 -0.444) 2.827 2.463 ( -1.137 -0.760 1.545) 2.063 2.912 ( 15.422 5.105 0.234) 16.246 3.823 ( -4.969 3.363 -0.323) 6.009 6.072 ( 0.957 4.330 0.013) 4.434 6.111 ( 2.641 3.397 -0.803) 4.378 6.329 ( -0.488 -1.723 -1.635) 2.425 6.817 ( 8.759 -0.763 0.820) 8.830 7.024 ( -0.721 -2.109 0.205) 2.238 7.996 ( -7.150 -0.620 -0.846) 7.227 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.881 2.743 0.089) 5.599 1.906 ( 0.488 -0.525 0.129) 0.728 1.984 ( -1.982 -0.182 0.024) 1.990 2.436 ( -1.120 -0.869 0.376) 1.466 3.226 ( 15.039 5.988 0.227) 16.188 3.715 ( -8.711 -1.679 -0.377) 8.879 6.113 ( 0.281 1.706 0.270) 1.750 6.183 ( 2.441 3.604 -0.089) 4.354 6.281 ( -1.637 -3.040 -0.961) 3.584 6.966 ( 6.586 1.694 -0.374) 6.810 7.011 ( 0.621 -0.448 0.845) 1.140 7.879 ( -5.041 -1.113 -0.388) 5.177 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.045 0.012 0.026) 0.053 1.915 ( -4.640 -2.325 -0.040) 5.190 1.935 ( 4.008 2.004 0.014) 4.481 2.416 ( -0.743 -0.329 -0.000) 0.813 3.508 ( -12.614 -3.001 0.019) 12.966 3.510 ( 12.778 3.078 -0.019) 13.144 6.111 ( -1.104 -0.189 0.105) 1.125 6.219 ( -2.238 -2.009 -0.394) 3.033 6.277 ( 4.589 2.815 0.300) 5.392 6.997 ( -0.788 -1.217 -0.067) 1.451 7.048 ( -0.083 0.776 0.056) 0.782 7.832 ( 0.606 0.262 -0.000) 0.660 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -5.817 -3.875 -0.081) 6.990 1.908 ( 0.311 0.211 0.073) 0.383 2.014 ( 2.190 3.150 0.132) 3.839 2.400 ( -0.695 -0.407 0.224) 0.836 3.236 ( -12.644 -8.421 0.321) 15.194 3.709 ( 6.057 4.639 -0.427) 7.641 6.083 ( -2.553 0.706 0.518) 2.699 6.161 ( -2.290 -2.033 -0.930) 3.200 6.385 ( 5.151 1.785 0.015) 5.452 6.905 ( -4.253 -8.144 -0.965) 9.238 7.042 ( -1.675 2.631 1.172) 3.332 7.894 ( 4.113 2.864 -0.314) 5.022 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -5.997 -3.091 0.073) 6.748 1.914 ( -0.373 0.580 -0.194) 0.717 2.061 ( -0.485 3.462 -1.035) 3.646 2.391 ( 0.037 -0.541 1.667) 1.752 2.944 ( -11.474 -9.588 0.459) 14.959 3.794 ( -0.547 3.643 -0.497) 3.718 6.036 ( -4.442 0.351 -0.096) 4.457 6.099 ( -3.526 0.457 -0.766) 3.637 6.452 ( 0.982 -1.001 -1.653) 2.168 6.766 ( 0.878 -9.910 0.952) 9.995 7.051 ( -0.184 1.822 0.455) 1.887 7.996 ( 3.827 4.040 -0.864) 5.632 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.681 -1.137 -0.385) 5.806 1.884 ( -4.530 0.998 -2.330) 5.191 2.059 ( -2.393 2.925 -2.576) 4.573 2.385 ( -2.743 -0.168 2.781) 3.909 2.712 ( -4.337 -8.183 1.552) 9.391 3.765 ( -6.837 3.856 0.208) 7.852 5.930 ( -7.348 -0.777 -0.409) 7.400 6.057 ( -3.437 3.034 -1.854) 4.946 6.376 ( -4.304 -4.009 -1.522) 6.076 6.791 ( 10.383 -8.194 2.044) 13.383 7.075 ( 1.309 1.253 -0.661) 1.929 8.085 ( 2.615 3.651 -1.315) 4.679 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.000 0.816 -1.659) 1.849 1.845 ( -0.000 -2.816 -8.820) 9.259 2.000 ( 0.000 3.940 0.372) 3.957 2.314 ( 0.000 7.348 0.573) 7.370 2.547 ( 0.000 -2.662 4.955) 5.624 3.836 ( 0.000 11.834 1.054) 11.880 5.812 ( -0.000 3.930 -0.910) 4.034 6.130 ( -0.000 2.939 -4.560) 5.425 6.280 ( 0.000 2.615 0.807) 2.737 6.656 ( 0.000 -3.727 2.481) 4.477 7.098 ( -0.000 -6.841 -1.184) 6.943 8.242 ( -0.000 -0.381 -0.942) 1.016 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.603 1.015 -0.570) 4.748 1.817 ( 1.876 -1.523 -4.775) 5.352 2.026 ( -0.640 2.589 0.120) 2.669 2.431 ( 5.645 5.109 0.148) 7.614 2.541 ( 1.781 -2.678 3.338) 4.635 3.923 ( -1.182 7.421 0.177) 7.516 5.892 ( 5.704 2.904 -0.572) 6.426 6.132 ( -1.621 3.208 -2.949) 4.649 6.315 ( 0.921 1.743 -0.054) 1.972 6.641 ( 1.638 -3.320 1.978) 4.197 7.038 ( -0.201 -4.237 -0.733) 4.305 8.205 ( -3.846 -0.037 -0.734) 3.916 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 7.007 0.794 -0.117) 7.053 1.847 ( 2.909 0.110 -0.801) 3.019 2.031 ( -1.039 1.387 0.176) 1.742 2.481 ( -1.225 -0.529 0.701) 1.507 2.685 ( 14.234 1.243 0.511) 14.297 3.933 ( -3.755 3.010 -0.438) 4.832 6.031 ( 7.177 2.111 -0.357) 7.489 6.129 ( -1.365 2.438 -0.864) 2.925 6.330 ( -0.437 0.242 -0.183) 0.532 6.673 ( 5.778 -2.152 0.276) 6.172 7.010 ( 0.144 -1.394 0.191) 1.415 8.114 ( -6.700 0.162 -0.520) 6.722 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 6.993 -0.319 -0.630) 7.029 1.890 ( 1.458 0.423 0.501) 1.599 2.020 ( -1.552 0.219 0.533) 1.655 2.449 ( -1.384 -0.817 -0.506) 1.684 2.965 ( 17.509 -0.059 0.324) 17.512 3.854 ( -7.118 0.140 -0.455) 7.134 6.121 ( 0.096 -0.892 -0.875) 1.254 6.145 ( 3.677 1.288 0.323) 3.909 6.311 ( -2.050 0.825 0.937) 2.400 6.803 ( 10.680 -0.501 -0.819) 10.723 7.010 ( 0.116 -0.026 0.662) 0.673 7.991 ( -7.769 0.362 -0.095) 7.778 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.916 -3.513 -0.916) 6.111 1.905 ( 0.198 0.410 0.018) 0.455 1.988 ( -2.096 0.654 0.525) 2.257 2.425 ( -0.759 -0.161 -0.861) 1.159 3.224 ( 14.867 -6.143 0.040) 16.086 3.719 ( -8.537 2.106 0.122) 8.794 6.102 ( 0.366 -2.297 -0.938) 2.508 6.182 ( 1.403 -3.079 -0.077) 3.385 6.311 ( -1.047 4.860 2.319) 5.486 6.965 ( 7.855 -1.846 -0.492) 8.084 7.002 ( -0.647 -0.355 -0.232) 0.773 7.887 ( -5.052 1.846 0.518) 5.403 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -1.254 -6.737 -0.712) 6.889 1.909 ( -0.096 0.382 -0.075) 0.401 2.011 ( 2.149 3.002 0.492) 3.725 2.410 ( -0.820 0.043 -0.854) 1.185 3.239 ( -1.089 -15.137 -0.035) 15.176 3.704 ( 1.295 7.412 0.206) 7.527 6.095 ( 1.532 -1.613 -0.753) 2.349 6.150 ( -0.844 -3.469 0.144) 3.574 6.367 ( 0.901 4.260 2.052) 4.814 6.903 ( -4.708 -7.069 -0.737) 8.526 7.054 ( 2.071 -0.124 -0.163) 2.081 7.887 ( 0.999 4.584 0.515) 4.720 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -3.288 -5.545 -0.202) 6.450 1.918 ( 0.511 0.750 0.087) 0.912 2.084 ( 2.264 3.254 0.449) 3.990 2.391 ( -0.881 -0.399 -0.397) 1.045 2.998 ( -8.446 -14.538 0.195) 16.814 3.810 ( 2.728 4.565 -0.247) 5.324 6.094 ( -2.398 -2.845 0.129) 3.723 6.116 ( 1.372 0.789 -0.443) 1.643 6.421 ( 1.590 1.357 0.792) 2.235 6.715 ( -6.335 -10.118 -0.629) 11.954 7.065 ( -0.077 -0.011 0.280) 0.291 7.981 ( 3.396 5.505 -0.063) 6.469 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -3.499 -3.346 -0.171) 4.845 1.932 ( -0.493 1.446 -0.639) 1.656 2.130 ( -1.552 4.139 -1.601) 4.702 2.386 ( 1.310 -1.125 1.987) 2.632 2.724 ( -7.888 -12.319 0.364) 14.632 3.861 ( -0.999 2.959 -0.078) 3.123 6.012 ( -4.294 -2.720 -0.199) 5.087 6.140 ( -1.539 3.985 -0.721) 4.332 6.412 ( -4.175 -1.735 -1.910) 4.908 6.576 ( 4.267 -9.985 1.909) 11.025 7.067 ( 0.337 0.211 -0.149) 0.424 8.082 ( 2.551 4.689 -0.385) 5.351 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.000 0.630 -0.286) 0.691 1.782 ( -0.000 0.177 -1.564) 1.574 2.051 ( 0.000 1.273 0.304) 1.309 2.411 ( 0.000 2.446 0.119) 2.449 2.518 ( 0.000 -2.221 1.587) 2.730 3.988 ( -0.000 3.826 -0.441) 3.852 5.858 ( -0.000 1.366 -0.116) 1.371 6.170 ( -0.000 2.936 -1.545) 3.318 6.324 ( 0.000 1.133 0.045) 1.134 6.602 ( 0.000 -2.752 0.233) 2.762 7.007 ( 0.000 -1.941 0.093) 1.944 8.236 ( -0.000 0.065 -0.569) 0.572 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.711 0.242 0.088) 4.718 1.815 ( 2.007 2.288 2.003) 3.643 2.054 ( -0.586 0.142 0.617) 0.862 2.487 ( 3.139 1.011 -1.030) 3.455 2.499 ( 4.423 -2.739 0.439) 5.221 3.990 ( -1.630 -0.150 -0.957) 1.896 5.921 ( 6.091 0.318 0.245) 6.104 6.177 ( -1.808 1.607 0.830) 2.558 6.333 ( 0.487 0.085 -0.080) 0.500 6.592 ( 1.907 -1.352 -1.976) 3.061 7.003 ( 0.101 0.482 1.028) 1.140 8.204 ( -3.746 0.201 -0.452) 3.779 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 6.512 -0.982 -0.542) 6.608 1.879 ( 1.488 2.246 2.552) 3.712 2.039 ( -0.958 -0.902 1.270) 1.829 2.457 ( -1.061 -1.341 -2.079) 2.692 2.683 ( 14.649 -1.708 0.311) 14.752 3.928 ( -3.492 -3.096 -0.980) 4.769 6.033 ( 6.665 -1.810 -0.171) 6.908 6.147 ( -1.968 -1.171 1.055) 2.522 6.344 ( 0.138 1.010 1.606) 1.902 6.649 ( 6.432 0.801 -2.445) 6.927 7.019 ( -0.183 1.781 1.194) 2.152 8.117 ( -6.543 0.389 -0.141) 6.556 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 5.815 -3.308 -1.390) 6.833 1.909 ( 0.020 0.866 0.679) 1.101 2.013 ( -1.185 -1.551 1.792) 2.650 2.429 ( -0.430 -0.457 -2.323) 2.406 2.914 ( 15.357 -5.159 0.422) 16.206 3.823 ( -4.416 -3.258 -0.361) 5.499 6.065 ( 0.745 -3.760 -0.743) 3.905 6.119 ( 1.689 -3.858 0.143) 4.214 6.374 ( 0.046 3.337 3.442) 4.794 6.796 ( 9.597 0.829 -1.509) 9.750 7.026 ( -1.568 1.559 0.406) 2.248 8.008 ( -6.862 1.278 0.507) 6.998 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.442 -6.638 -1.702) 7.275 1.913 ( -0.105 0.072 -0.232) 0.264 2.000 ( 0.965 -0.369 1.903) 2.166 2.418 ( -0.184 0.274 -2.173) 2.198 3.040 ( 7.788 -11.611 0.039) 13.981 3.753 ( -1.090 0.138 0.308) 1.141 6.037 ( 1.199 -3.602 -0.547) 3.835 6.106 ( 1.690 -4.882 -0.042) 5.166 6.416 ( -0.372 3.146 3.711) 4.879 6.900 ( 0.706 -2.865 -0.320) 2.968 7.014 ( 0.654 1.632 -1.172) 2.113 7.946 ( -2.866 3.578 1.074) 4.708 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.120 -6.832 -0.626) 6.861 1.912 ( 0.621 -0.450 0.340) 0.838 2.050 ( 3.721 0.533 1.657) 4.108 2.408 ( -0.896 0.560 -2.299) 2.530 2.946 ( -2.550 -14.621 -0.114) 14.842 3.791 ( 3.446 1.483 0.166) 3.755 6.036 ( 2.614 -4.090 -0.283) 4.862 6.093 ( 1.897 -2.881 0.679) 3.516 6.433 ( -0.713 -0.054 2.784) 2.874 6.776 ( -8.944 -3.512 -1.388) 9.709 7.053 ( 1.439 0.421 -0.218) 1.515 7.989 ( 1.865 5.172 0.821) 5.559 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 0.272 0.965) 1.003 1.843 ( 0.000 4.630 5.191) 6.956 2.057 ( 0.000 -0.999 1.268) 1.614 2.408 ( -0.000 -2.737 -0.247) 2.748 2.481 ( -0.000 -1.121 -2.794) 3.011 3.979 ( -0.000 -4.239 -1.509) 4.499 5.867 ( 0.000 -0.763 0.877) 1.162 6.213 ( 0.000 0.186 3.349) 3.354 6.315 ( -0.000 -1.665 -0.887) 1.886 6.567 ( -0.000 1.048 -3.795) 3.937 7.023 ( 0.000 2.706 1.685) 3.188 8.236 ( -0.000 0.325 -0.509) 0.604 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.579 -0.510 0.674) 3.678 1.907 ( 0.001 3.939 4.668) 6.108 2.043 ( -0.577 -2.023 2.720) 3.438 2.422 ( 3.602 -5.110 -1.348) 6.395 2.486 ( 4.887 0.491 -2.570) 5.544 3.906 ( -0.895 -7.828 -1.678) 8.056 5.903 ( 5.294 -2.690 0.736) 5.984 6.178 ( -3.108 -2.532 1.971) 4.468 6.322 ( 2.543 -1.574 0.804) 3.097 6.597 ( 2.041 4.096 -2.716) 5.322 7.059 ( -0.481 4.225 1.497) 4.508 8.208 ( -3.678 0.556 -0.423) 3.744 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 4.506 -2.566 -0.760) 5.241 1.927 ( -0.867 0.424 0.639) 1.157 2.016 ( -1.012 -2.824 4.226) 5.183 2.405 ( 1.152 -2.949 -3.322) 4.589 2.640 ( 12.302 -1.959 0.537) 12.468 3.801 ( -0.736 -9.440 -1.209) 9.545 5.959 ( 5.306 -5.797 -0.372) 7.868 6.099 ( -2.749 -3.451 0.513) 4.442 6.368 ( 3.518 -0.572 2.508) 4.358 6.700 ( 4.913 5.526 -0.257) 7.399 7.087 ( -1.904 4.596 0.458) 4.996 8.130 ( -6.076 1.060 0.059) 6.168 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 3.205 -6.012 -2.345) 7.205 1.908 ( -0.173 -1.816 -0.712) 1.958 1.987 ( -0.190 -2.337 4.291) 4.890 2.395 ( 1.596 -2.151 -3.123) 4.115 2.800 ( 9.726 -5.700 0.684) 11.294 3.715 ( 1.406 -8.050 -0.443) 8.184 5.962 ( 3.236 -7.091 -0.961) 7.853 6.038 ( -0.521 -3.431 0.395) 3.493 6.424 ( 2.431 -1.019 3.291) 4.216 6.846 ( 5.273 4.944 1.420) 7.367 7.076 ( -4.190 3.802 -1.435) 5.837 8.047 ( -5.219 2.435 0.931) 5.834 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 2.376 -7.449 -1.602) 7.981 1.884 ( 0.732 -3.646 0.829) 3.810 2.004 ( 2.300 -0.476 3.098) 3.888 2.393 ( 1.573 -2.252 -3.023) 4.085 2.828 ( 1.884 -8.879 -0.164) 9.078 3.705 ( 5.179 -5.334 -0.188) 7.437 5.943 ( 3.090 -6.850 -0.367) 7.524 6.021 ( 1.940 -2.781 0.957) 3.524 6.431 ( -0.008 -3.630 2.736) 4.546 6.915 ( -5.642 4.738 0.789) 7.410 7.043 ( -0.238 2.112 -1.662) 2.698 8.029 ( -1.072 4.113 1.481) 4.501 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 -0.383 1.271) 1.327 1.952 ( 0.000 0.908 1.232) 1.530 2.046 ( 0.000 -1.020 7.364) 7.435 2.305 ( -0.000 -7.561 -0.356) 7.570 2.463 ( -0.000 2.402 -4.358) 4.977 3.808 ( -0.000 -12.472 -2.115) 12.650 5.829 ( 0.000 -4.063 0.971) 4.177 6.193 ( 0.000 -3.546 2.143) 4.143 6.264 ( -0.000 -2.475 -0.983) 2.663 6.630 ( -0.000 6.438 -0.092) 6.438 7.118 ( 0.000 6.150 1.109) 6.250 8.245 ( -0.000 1.003 -0.663) 1.203 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 1.821 -1.728 0.109) 2.512 1.924 ( -0.535 -4.059 -1.775) 4.462 2.033 ( -2.272 -2.310 6.349) 7.127 2.280 ( 5.310 -8.751 -1.146) 10.300 2.523 ( 3.919 5.168 -0.451) 6.502 3.670 ( 0.984 -15.571 -1.962) 15.725 5.816 ( 3.788 -6.787 0.123) 7.774 6.124 ( -3.317 -2.948 0.243) 4.444 6.286 ( 4.187 -1.853 0.243) 4.585 6.716 ( 1.820 7.168 2.998) 7.980 7.174 ( -1.474 7.170 0.028) 7.320 8.224 ( -3.588 1.541 -0.536) 3.941 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.386 -5.398 -2.496) 6.106 1.868 ( 0.454 -5.811 -1.404) 5.996 1.985 ( -1.089 -3.584 4.757) 6.055 2.281 ( 5.185 -8.186 -2.548) 10.020 2.658 ( 5.636 3.341 1.906) 6.823 3.550 ( 3.887 -15.909 -1.437) 16.440 5.808 ( 4.501 -9.137 -0.980) 10.232 6.049 ( -2.839 -1.501 0.311) 3.226 6.349 ( 4.567 -1.943 1.162) 5.097 6.841 ( 3.614 6.879 4.752) 9.109 7.197 ( -4.127 7.175 -1.776) 8.465 8.163 ( -5.388 2.379 0.257) 5.895 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.282 -8.300 -2.885) 9.078 1.820 ( 1.151 -7.245 1.323) 7.454 1.974 ( 1.571 -1.749 3.496) 4.213 2.280 ( 4.870 -8.148 -2.658) 9.858 2.749 ( 2.142 0.102 0.905) 2.327 3.502 ( 8.089 -13.460 -1.278) 15.755 5.791 ( 4.822 -9.502 -0.987) 10.702 6.007 ( -1.323 -0.277 1.242) 1.835 6.383 ( 1.853 -3.755 1.495) 4.446 6.982 ( 3.695 5.909 4.890) 8.514 7.156 ( -7.803 6.447 -3.911) 10.851 8.113 ( -3.884 3.569 1.520) 5.490 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.000 -1.926 -0.281) 1.947 1.861 ( -0.000 -8.112 -2.952) 8.632 2.049 ( 0.000 -3.909 2.781) 4.798 2.123 ( 0.000 -10.975 0.306) 10.979 2.563 ( 0.000 8.160 2.402) 8.506 3.478 ( -0.000 -20.341 -2.197) 20.459 5.713 ( 0.000 -8.062 0.009) 8.062 6.133 ( -0.000 -2.223 -0.690) 2.328 6.231 ( -0.000 -0.414 -0.082) 0.422 6.780 ( 0.000 6.504 5.721) 8.662 7.265 ( -0.000 8.897 -0.801) 8.933 8.271 ( -0.000 2.196 -0.937) 2.388 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.999 -5.255 -3.093) 6.179 1.770 ( 1.447 -9.922 -3.198) 10.525 1.968 ( -1.457 -6.993 2.908) 7.713 2.089 ( 5.588 -9.755 -1.255) 11.312 2.669 ( 1.522 7.691 4.446) 9.013 3.290 ( 3.680 -22.433 -2.071) 22.827 5.652 ( 2.708 -9.504 -0.680) 9.906 6.090 ( -2.638 -0.035 -0.580) 2.701 6.268 ( 3.585 -0.055 0.261) 3.595 6.871 ( 1.966 5.200 7.264) 9.147 7.331 ( -2.609 9.700 -2.085) 10.259 8.263 ( -3.321 2.817 -0.649) 4.403 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.311 -10.200 -5.110) 11.413 1.708 ( 2.655 -10.395 0.311) 10.733 1.921 ( 2.151 -5.154 3.168) 6.421 2.088 ( 5.970 -9.654 -2.395) 11.600 2.761 ( 0.395 4.566 4.008) 6.088 3.180 ( 9.410 -20.744 -2.601) 22.927 5.614 ( 4.314 -9.858 -1.004) 10.807 6.053 ( -2.699 1.718 0.534) 3.244 6.321 ( 2.617 -1.233 0.545) 2.943 6.981 ( 3.515 3.724 6.436) 8.225 7.345 ( -6.186 9.779 -3.306) 12.034 8.224 ( -4.538 3.513 0.693) 5.780 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 -6.521 -4.602) 7.981 1.620 ( -0.000 -14.038 -6.494) 15.467 1.915 ( 0.000 -10.434 2.645) 10.764 1.935 ( -0.000 -8.229 -0.277) 8.233 2.752 ( 0.000 7.601 6.419) 9.949 3.012 ( -0.000 -25.986 -2.533) 26.109 5.536 ( -0.000 -9.565 -0.629) 9.585 6.120 ( -0.000 1.626 -1.299) 2.081 6.246 ( 0.000 1.682 0.531) 1.764 6.916 ( 0.000 2.916 8.843) 9.311 7.449 ( -0.000 11.131 -2.609) 11.432 8.318 ( -0.000 3.152 -1.205) 3.374 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -4.127 -12.785 -7.984) 15.628 1.520 ( 5.532 -13.880 -3.930) 15.450 1.831 ( 1.340 -8.325 3.356) 9.076 1.901 ( 4.860 -9.158 -0.872) 10.404 2.778 ( 3.837 -21.364 6.039) 22.530 2.856 ( 2.170 0.913 -2.892) 3.729 5.463 ( 2.315 -9.274 -0.766) 9.590 6.122 ( -2.107 3.509 -0.419) 4.114 6.285 ( 1.788 1.464 0.391) 2.344 6.977 ( 2.112 1.063 8.447) 8.771 7.522 ( -3.576 11.511 -3.180) 12.466 8.321 ( -2.760 3.311 -0.609) 4.353 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.000 -14.012 -8.709) 16.498 1.259 ( -0.000 -18.242 -9.951) 20.779 1.727 ( 0.000 -14.406 1.669) 14.502 1.779 ( 0.000 -5.763 4.166) 7.111 2.467 ( -0.000 -27.918 -0.366) 27.921 2.918 ( 0.000 5.951 3.196) 6.755 5.357 ( -0.000 -8.339 -0.564) 8.358 6.179 ( -0.000 4.858 -0.628) 4.898 6.294 ( 0.000 2.750 0.532) 2.801 6.983 ( 0.000 -1.220 9.583) 9.661 7.659 ( -0.000 12.269 -3.244) 12.690 8.370 ( -0.000 2.757 -1.386) 3.085 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 0.000 -0.000 20.515) 20.515 0.348 ( 0.000 -0.000 20.515) 20.515 0.694 ( 0.000 -0.000 40.802) 40.802 1.646 ( -0.000 0.000 -3.400) 3.400 1.646 ( -0.000 0.000 -3.400) 3.400 3.532 ( -0.000 0.000 -10.026) 10.026 5.117 ( 0.000 -0.000 1.085) 1.085 5.117 ( 0.000 -0.000 1.085) 1.085 6.407 ( -0.000 0.000 -0.587) 0.587 6.407 ( -0.000 0.000 -0.587) 0.587 8.251 ( 0.000 -0.000 1.563) 1.563 8.534 ( -0.000 0.000 -0.511) 0.511 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 8.534 4.927 12.354) 15.803 0.576 ( 6.715 3.877 20.872) 22.266 1.121 ( 23.911 13.805 25.888) 37.849 1.672 ( 2.218 1.280 -2.709) 3.728 1.693 ( 5.749 3.319 -5.332) 8.514 3.126 ( -10.658 -6.153 0.532) 12.318 5.148 ( 2.433 1.404 1.185) 3.049 6.188 ( 39.690 22.915 -39.245) 60.337 6.377 ( -0.970 -0.560 -2.272) 2.533 6.389 ( -1.409 -0.814 -0.614) 1.739 8.194 ( -7.487 -4.323 4.308) 9.659 8.409 ( -5.233 -3.021 2.015) 6.370 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.815 7.399 4.628) 15.504 0.799 ( 9.137 5.275 12.258) 16.174 1.653 ( 13.828 7.983 11.461) 19.654 1.732 ( 3.879 2.240 -1.812) 4.832 1.929 ( 19.832 11.450 -1.695) 22.962 2.989 ( -2.714 -1.567 -4.147) 5.198 5.231 ( 4.696 2.711 1.050) 5.523 6.261 ( -5.300 -3.060 -1.578) 6.321 6.346 ( -2.191 -1.265 -0.573) 2.595 6.722 ( 17.523 10.117 -20.454) 28.771 7.973 ( -12.369 -7.141 6.594) 15.731 8.333 ( -2.921 -1.686 -2.734) 4.341 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 11.709 6.760 1.017) 13.559 1.044 ( 10.734 6.197 3.478) 12.874 1.838 ( 6.003 3.466 -0.749) 6.972 1.853 ( 5.788 3.341 0.529) 6.704 2.439 ( 20.930 12.084 0.919) 24.186 2.978 ( 3.313 1.913 -0.623) 3.876 5.360 ( 6.614 3.819 0.703) 7.670 6.127 ( -5.802 -3.350 -1.866) 6.955 6.296 ( -2.007 -1.158 -0.420) 2.355 6.969 ( 9.129 5.271 -10.087) 14.590 7.701 ( -13.484 -7.785 5.393) 16.478 8.248 ( -3.577 -2.065 -3.868) 5.658 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 8.482 4.897 -0.844) 9.830 1.292 ( 11.365 6.561 -1.934) 13.264 1.951 ( 3.394 1.959 -1.433) 4.173 1.993 ( 7.834 4.523 0.118) 9.046 2.723 ( 4.934 2.848 -2.411) 6.186 3.198 ( 14.896 8.600 4.493) 17.777 5.522 ( 7.573 4.372 0.198) 8.746 6.012 ( -3.566 -2.059 -2.270) 4.702 6.261 ( -0.996 -0.575 -0.098) 1.155 7.081 ( 3.189 1.841 -6.830) 7.760 7.407 ( -14.103 -8.142 4.336) 16.852 8.172 ( -2.102 -1.214 -2.716) 3.643 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 5.365 3.098 -1.505) 6.375 1.534 ( 11.051 6.380 -4.417) 13.503 2.007 ( 2.214 1.278 -1.550) 2.990 2.172 ( 7.751 4.475 0.441) 8.961 2.738 ( -2.275 -1.313 0.496) 2.673 3.539 ( 13.308 7.683 2.946) 15.646 5.686 ( 6.928 4.000 -0.431) 8.011 5.973 ( 0.828 0.478 -2.371) 2.557 6.254 ( 0.283 0.164 0.426) 0.538 7.046 ( -7.917 -4.571 -7.057) 11.548 7.144 ( -6.628 -3.827 4.528) 8.893 8.147 ( 0.184 0.106 -0.716) 0.746 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.150 1.819 -1.453) 3.917 1.751 ( 9.493 5.481 -5.475) 12.253 2.051 ( 2.373 1.370 -1.402) 3.078 2.323 ( 5.455 3.149 0.406) 6.312 2.643 ( -6.348 -3.665 2.326) 7.690 3.783 ( 7.967 4.600 2.058) 9.427 5.816 ( 4.785 2.763 -0.995) 5.614 6.039 ( 5.634 3.253 -2.175) 6.859 6.271 ( 0.912 0.527 0.977) 1.437 6.774 ( -12.561 -7.252 -0.536) 14.515 7.086 ( -1.462 -0.844 -1.025) 1.975 8.163 ( 1.033 0.596 0.523) 1.303 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.494 0.863 -1.054) 2.022 1.908 ( 5.362 3.096 -4.297) 7.536 2.118 ( 4.582 2.645 -3.508) 6.348 2.406 ( 1.805 1.042 0.260) 2.100 2.488 ( -7.686 -4.438 3.507) 9.543 3.905 ( 2.469 1.425 2.040) 3.506 5.889 ( 2.073 1.197 -1.109) 2.638 6.201 ( 9.146 5.281 -2.359) 10.821 6.288 ( 0.139 0.080 1.144) 1.155 6.517 ( -10.440 -6.028 2.221) 12.258 7.063 ( -0.152 -0.088 -1.249) 1.261 8.185 ( 0.588 0.340 0.981) 1.193 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.051 0.029 -0.389) 0.393 1.963 ( 0.486 0.281 -0.744) 0.932 2.200 ( 1.037 0.599 -4.019) 4.194 2.373 ( -0.682 -0.394 1.461) 1.660 2.401 ( -2.322 -1.340 0.036) 2.681 3.902 ( -3.347 -1.933 1.933) 4.321 5.901 ( -0.890 -0.514 -0.643) 1.212 6.279 ( -1.205 -0.696 0.749) 1.580 6.293 ( -6.382 -3.684 1.375) 7.496 6.453 ( 9.715 5.609 -0.290) 11.221 7.075 ( 1.484 0.857 -0.728) 1.862 8.194 ( 0.047 0.027 1.400) 1.401 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -1.451 -0.838 0.668) 1.803 1.924 ( -4.489 -2.592 2.728) 5.858 2.133 ( -4.194 -2.421 2.389) 5.400 2.306 ( -6.122 -3.535 -0.367) 7.079 2.475 ( 7.717 4.455 -5.772) 10.616 3.760 ( -9.984 -5.764 1.101) 11.581 5.842 ( -4.429 -2.557 0.114) 5.115 6.162 ( -5.146 -2.971 3.768) 7.036 6.249 ( -1.246 -0.719 0.033) 1.439 6.694 ( 11.262 6.502 -4.164) 13.654 7.128 ( 3.401 1.963 0.553) 3.966 8.203 ( 0.445 0.257 2.242) 2.300 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -3.516 -2.030 2.441) 4.737 1.780 ( -9.402 -5.428 6.726) 12.771 2.053 ( -3.979 -2.297 1.210) 4.751 2.136 ( -8.579 -4.953 -1.194) 9.977 2.637 ( 7.919 4.572 -5.164) 10.501 3.460 ( -17.056 -9.847 -0.297) 19.697 5.708 ( -7.414 -4.281 0.577) 8.581 6.094 ( -1.736 -1.002 3.505) 4.038 6.234 ( 0.081 0.047 -0.449) 0.459 6.898 ( 7.933 4.580 -7.817) 12.042 7.238 ( 6.343 3.662 2.622) 7.779 8.235 ( 1.874 1.082 3.086) 3.769 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -7.174 -4.142 5.339) 9.855 1.553 ( -12.944 -7.473 9.131) 17.514 1.938 ( -8.207 -4.738 -2.729) 9.861 1.938 ( -6.803 -3.928 -0.927) 7.910 2.789 ( 6.428 3.711 -2.127) 7.721 3.010 ( -22.578 -13.036 -2.148) 26.160 5.531 ( -8.307 -4.796 0.625) 9.612 6.105 ( 1.848 1.067 2.177) 3.048 6.251 ( 1.496 0.863 -0.559) 1.815 6.991 ( 2.758 1.592 -8.905) 9.458 7.425 ( 9.448 5.455 3.056) 11.329 8.300 ( 3.007 1.736 2.870) 4.504 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 18.443 10.070) 21.013 0.704 ( 0.000 15.286 16.582) 22.553 1.104 ( 0.000 16.471 31.619) 35.652 1.610 ( -0.000 0.012 -5.801) 5.801 1.730 ( -0.000 9.325 -3.416) 9.931 3.126 ( -0.000 -13.296 -1.448) 13.375 5.149 ( 0.000 2.765 1.205) 3.016 6.061 ( -0.000 44.756 -34.004) 56.208 6.382 ( -0.000 -0.619 -2.202) 2.287 6.386 ( -0.000 -1.756 -0.711) 1.894 8.202 ( 0.000 -8.195 3.752) 9.013 8.428 ( 0.000 -4.820 1.219) 4.972 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.573 20.849 6.488) 21.892 0.858 ( -0.098 12.431 16.887) 20.970 1.531 ( 16.027 13.088 18.566) 27.801 1.643 ( 5.498 0.905 -5.626) 7.918 1.865 ( 5.014 15.875 -2.813) 16.884 2.991 ( -2.431 -5.216 -5.193) 7.751 5.207 ( 2.462 4.158 1.223) 4.985 6.283 ( -1.415 -2.981 -2.744) 4.292 6.356 ( -0.832 -1.909 -0.741) 2.210 6.520 ( 13.129 19.641 -22.432) 32.578 8.060 ( -6.361 -11.644 5.806) 14.483 8.367 ( -3.133 -1.235 -1.865) 3.850 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.398 13.544 10.546) 17.223 1.058 ( 3.759 15.384 3.333) 16.184 1.736 ( 7.136 1.981 -3.064) 8.015 1.828 ( 5.341 6.367 2.841) 8.783 2.262 ( 17.536 19.299 2.277) 26.175 2.937 ( 1.696 -0.755 -3.795) 4.224 5.316 ( 4.474 5.610 1.104) 7.260 6.175 ( -4.855 -4.568 -1.537) 6.841 6.317 ( -1.569 -1.217 -0.640) 2.086 6.817 ( 11.604 8.248 -13.197) 19.412 7.827 ( -9.943 -11.049 5.644) 15.899 8.284 ( -4.194 -1.654 -3.550) 5.738 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 4.473 8.935 6.384) 11.857 1.275 ( 4.519 14.440 -1.864) 15.245 1.873 ( 6.645 2.283 -1.871) 7.271 1.962 ( 4.043 6.989 -0.104) 8.075 2.644 ( 9.116 7.973 -2.691) 12.406 3.067 ( 11.541 7.616 2.987) 14.146 5.466 ( 5.803 6.829 0.827) 9.000 6.049 ( -4.478 -3.442 -1.782) 5.923 6.283 ( -1.521 0.224 -0.590) 1.647 6.991 ( 6.927 1.991 -8.211) 10.925 7.556 ( -12.058 -9.817 4.684) 16.239 8.189 ( -3.286 -2.164 -3.108) 5.014 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 4.488 6.455 2.290) 8.189 1.476 ( 5.462 11.863 -3.285) 13.467 1.963 ( 3.495 0.742 -1.730) 3.970 2.125 ( 5.852 8.671 0.261) 10.464 2.743 ( 1.030 0.461 -1.422) 1.816 3.401 ( 14.003 9.797 3.103) 17.369 5.636 ( 5.761 7.334 0.377) 9.333 5.969 ( -1.391 -1.095 -1.791) 2.518 6.271 ( -0.882 1.712 -0.357) 1.958 7.039 ( 1.147 -1.880 -7.820) 8.125 7.275 ( -12.172 -7.699 4.740) 15.162 8.132 ( -0.263 -2.020 -1.253) 2.391 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.433 5.064 0.124) 5.620 1.669 ( 6.593 9.029 -3.859) 11.827 2.013 ( 2.741 0.390 -1.361) 3.085 2.298 ( 4.490 8.063 0.607) 9.249 2.709 ( -3.933 -1.640 0.562) 4.298 3.689 ( 10.020 6.177 2.017) 11.942 5.789 ( 4.056 6.854 -0.211) 7.967 5.981 ( 3.249 1.615 -1.532) 3.938 6.283 ( -0.200 2.520 0.076) 2.529 6.903 ( -10.209 -6.059 -3.850) 12.481 7.104 ( -3.190 -2.394 1.264) 4.184 8.130 ( 2.095 -1.979 0.297) 2.897 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.615 4.034 -0.561) 4.119 1.835 ( 5.804 5.431 -4.408) 9.090 2.065 ( 3.341 1.020 -1.686) 3.879 2.417 ( 1.322 5.186 1.011) 5.446 2.599 ( -7.431 -0.693 1.223) 7.563 3.863 ( 5.325 2.279 1.989) 6.125 5.895 ( 1.377 5.783 -0.652) 5.980 6.092 ( 7.266 2.956 -1.363) 7.962 6.306 ( -0.107 2.540 0.345) 2.566 6.656 ( -11.373 -4.542 0.552) 12.259 7.062 ( -0.670 -0.774 -1.163) 1.549 8.152 ( 2.509 -2.278 0.906) 3.508 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.801 2.942 -0.494) 3.089 1.931 ( 3.073 1.226 -2.635) 4.230 2.134 ( 4.112 0.916 -4.258) 5.990 2.417 ( -3.551 -2.399 3.102) 5.290 2.508 ( -6.292 7.217 -0.178) 9.577 3.921 ( 0.176 -1.034 2.185) 2.423 5.940 ( -1.614 4.279 -0.615) 4.614 6.218 ( 4.258 -2.258 -0.564) 4.853 6.351 ( 2.474 5.187 -1.701) 5.994 6.468 ( -7.380 0.065 3.778) 8.291 7.057 ( 0.807 0.158 -1.241) 1.489 8.169 ( 1.973 -2.613 1.163) 3.475 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -2.005 1.462 0.076) 2.483 1.950 ( -0.447 -1.395 0.302) 1.496 2.150 ( -0.437 -2.970 -2.093) 3.660 2.361 ( -2.119 -0.968 1.051) 2.556 2.487 ( -4.221 8.720 -2.024) 9.897 3.855 ( -6.150 -3.893 1.815) 7.501 5.916 ( -4.829 1.846 -0.091) 5.170 6.180 ( -2.039 -5.477 1.463) 6.025 6.329 ( -5.395 2.566 1.010) 6.059 6.579 ( 9.179 7.591 -1.855) 12.054 7.087 ( 2.749 0.669 -0.477) 2.869 8.178 ( 1.864 -2.540 1.638) 3.551 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.227 -0.861 1.381) 3.614 1.884 ( -5.509 -3.012 3.277) 7.082 2.086 ( -2.704 -3.108 0.096) 4.120 2.260 ( -8.788 -1.083 0.386) 8.863 2.564 ( 4.302 7.156 -4.576) 9.521 3.645 ( -13.752 -6.421 0.893) 15.203 5.812 ( -7.971 -0.975 0.472) 8.044 6.105 ( -1.457 -3.897 2.307) 4.758 6.284 ( -3.738 3.347 0.371) 5.031 6.794 ( 8.603 6.592 -5.729) 12.260 7.164 ( 5.587 1.097 1.304) 5.842 8.200 ( 2.826 -1.815 2.211) 4.021 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -5.260 -4.795 4.013) 8.171 1.735 ( -10.219 -2.583 5.072) 11.697 1.990 ( -5.224 -3.771 -2.114) 6.781 2.080 ( -10.936 -0.855 0.662) 10.989 2.706 ( 6.590 4.923 -4.131) 9.205 3.280 ( -21.441 -8.182 0.333) 22.951 5.646 ( -9.591 -2.611 0.725) 9.967 6.081 ( 1.254 -1.673 1.661) 2.671 6.270 ( -1.701 3.139 -0.178) 3.575 6.936 ( 4.277 4.240 -8.122) 10.112 7.311 ( 9.388 2.111 2.844) 10.034 8.252 ( 4.118 -0.910 2.031) 4.681 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 19.591 4.875) 20.188 1.083 ( 0.000 14.646 13.024) 19.599 1.572 ( 0.000 14.685 18.764) 23.827 1.588 ( -0.000 2.051 -7.803) 8.068 1.989 ( -0.000 20.014 -1.524) 20.072 2.938 ( -0.000 -5.464 -6.371) 8.393 5.237 ( 0.000 5.663 1.131) 5.775 6.259 ( -0.000 -3.173 -1.658) 3.580 6.336 ( -0.000 -2.782 -0.712) 2.872 6.548 ( -0.000 18.210 -18.462) 25.932 8.001 ( 0.000 -13.822 5.114) 14.738 8.379 ( -0.000 -1.219 -2.608) 2.879 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -4.313 12.131 13.065) 18.342 1.202 ( -0.413 19.104 0.992) 19.134 1.643 ( 5.243 4.184 -5.646) 8.768 1.806 ( 6.311 7.993 7.088) 12.408 2.264 ( 7.631 23.318 0.388) 24.538 2.886 ( 1.234 -1.898 -4.584) 5.112 5.322 ( 2.483 7.049 1.126) 7.557 6.192 ( -2.978 -4.667 -1.080) 5.641 6.311 ( 0.160 -2.181 -0.664) 2.285 6.711 ( 6.744 10.188 -12.474) 17.461 7.842 ( -4.462 -13.617 4.669) 15.071 8.328 ( -3.418 -1.445 -3.528) 5.120 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -2.296 10.085 9.837) 14.274 1.377 ( 0.877 16.497 -2.503) 16.709 1.787 ( 6.602 5.052 -1.936) 8.536 1.964 ( 4.231 6.915 0.504) 8.122 2.586 ( 7.418 11.548 -3.694) 14.214 2.979 ( 8.608 8.263 2.422) 12.176 5.459 ( 4.396 8.418 1.203) 9.572 6.082 ( -4.234 -3.855 -1.445) 5.905 6.296 ( -0.061 -0.364 -0.945) 1.015 6.866 ( 7.249 2.778 -7.764) 10.980 7.628 ( -7.504 -12.074 4.075) 14.788 8.228 ( -4.803 -2.059 -3.556) 6.321 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.529 8.577 6.546) 10.803 1.534 ( 1.739 13.554 -3.832) 14.192 1.905 ( 3.893 1.763 -1.181) 4.434 2.126 ( 5.506 10.139 0.074) 11.538 2.711 ( 3.155 1.823 -2.882) 4.645 3.292 ( 12.406 12.588 3.066) 17.938 5.630 ( 5.094 9.302 1.168) 10.669 5.987 ( -2.921 -1.781 -1.458) 3.719 6.298 ( -0.175 1.766 -1.288) 2.192 6.951 ( 4.476 -1.616 -6.169) 7.791 7.390 ( -9.525 -9.595 3.658) 14.006 8.127 ( -2.994 -2.676 -2.336) 4.646 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.866 7.488 3.715) 8.404 1.680 ( 2.908 10.790 -3.159) 11.613 1.962 ( 2.931 -0.024 -1.325) 3.217 2.316 ( 4.523 10.013 1.013) 11.033 2.741 ( -0.280 0.870 -0.882) 1.271 3.591 ( 10.068 8.064 1.541) 12.991 5.801 ( 4.086 8.985 0.916) 9.913 5.957 ( 0.635 0.914 -1.058) 1.535 6.315 ( -0.220 3.093 -1.430) 3.414 6.940 ( -1.519 -3.576 -5.672) 6.875 7.170 ( -7.864 -5.634 3.339) 10.233 8.074 ( 0.641 -3.418 -0.662) 3.540 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.412 6.584 1.517) 6.769 1.812 ( 3.034 7.104 -2.570) 8.141 2.010 ( 3.445 0.097 -1.209) 3.653 2.447 ( 1.476 4.494 1.740) 5.040 2.725 ( -4.398 5.494 -0.686) 7.071 3.787 ( 6.891 2.757 1.304) 7.535 5.933 ( 2.111 7.343 0.574) 7.662 6.019 ( 4.296 3.003 -0.654) 5.282 6.337 ( -0.293 2.927 -1.391) 3.254 6.796 ( -9.182 -2.771 -1.277) 9.675 7.068 ( -1.735 -1.594 0.057) 2.357 8.071 ( 3.107 -4.218 0.348) 5.251 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -1.886 5.576 0.563) 5.914 1.894 ( 2.207 2.479 -2.280) 4.027 2.070 ( 3.521 0.521 -2.163) 4.165 2.451 ( -2.202 -2.128 2.343) 3.856 2.716 ( -6.841 12.159 -0.892) 13.980 3.885 ( 3.513 -1.252 1.727) 4.110 6.014 ( -0.663 6.077 0.379) 6.125 6.125 ( 5.180 0.823 -0.413) 5.261 6.358 ( 0.748 2.489 -1.821) 3.173 6.630 ( -9.318 1.946 2.078) 9.744 7.047 ( -0.051 -0.047 -1.276) 1.278 8.088 ( 3.621 -4.751 0.713) 6.016 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -3.342 3.946 0.432) 5.189 1.928 ( 1.319 -0.304 -0.979) 1.671 2.104 ( 1.668 -1.659 -3.119) 3.907 2.394 ( -2.400 -1.279 2.326) 3.579 2.703 ( -8.811 12.186 -1.064) 15.075 3.888 ( -1.158 -3.555 1.769) 4.136 6.022 ( -4.050 3.430 0.536) 5.334 6.156 ( -0.228 -3.351 0.360) 3.378 6.406 ( 1.079 2.313 -2.494) 3.569 6.577 ( -1.851 8.320 2.354) 8.843 7.054 ( 1.269 0.029 -1.129) 1.699 8.102 ( 3.391 -4.718 0.938) 5.885 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -4.650 1.253 1.062) 4.932 1.921 ( -1.290 -1.620 0.838) 2.234 2.080 ( -0.585 -2.857 -2.333) 3.735 2.357 ( -2.967 -0.183 1.644) 3.397 2.662 ( -7.180 9.779 -1.933) 12.285 3.780 ( -7.883 -4.547 1.212) 9.180 5.948 ( -7.520 0.873 0.794) 7.612 6.095 ( -1.814 -3.985 0.911) 4.472 6.396 ( -4.225 3.859 -0.537) 5.747 6.718 ( 6.595 8.169 -2.474) 10.786 7.089 ( 3.724 -0.559 0.189) 3.771 8.121 ( 3.731 -3.949 1.104) 5.544 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -6.097 -2.244 2.704) 7.037 1.854 ( -5.431 -1.688 1.890) 5.993 2.019 ( -2.801 -2.636 -3.100) 4.940 2.261 ( -9.360 0.186 2.024) 9.578 2.678 ( 0.757 6.123 -2.585) 6.689 3.540 ( -15.992 -4.461 0.874) 16.626 5.800 ( -10.164 -0.866 0.939) 10.244 6.049 ( 0.147 -2.709 0.509) 2.760 6.356 ( -4.336 3.373 -0.439) 5.511 6.886 ( 5.478 6.593 -5.907) 10.410 7.179 ( 7.708 -0.816 2.474) 8.136 8.161 ( 4.752 -2.807 0.700) 5.563 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 6.720 5.919) 8.955 1.377 ( 0.000 16.861 1.472) 16.926 1.647 ( -0.000 9.772 -4.788) 10.882 1.846 ( 0.000 7.327 6.449) 9.761 2.425 ( -0.000 21.373 -2.330) 21.500 2.857 ( -0.000 2.051 -1.137) 2.345 5.377 ( 0.000 8.095 0.779) 8.133 6.174 ( -0.000 -4.077 -0.984) 4.194 6.278 ( -0.000 -2.630 -0.505) 2.678 6.715 ( -0.000 7.487 -9.087) 11.774 7.753 ( 0.000 -14.254 3.582) 14.697 8.334 ( -0.000 -1.557 -3.726) 4.038 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -1.378 4.557 2.759) 5.502 1.527 ( -0.583 14.857 -1.591) 14.953 1.774 ( 2.638 10.567 0.243) 10.894 1.954 ( 4.149 5.548 0.288) 6.934 2.589 ( 2.734 7.686 -5.211) 9.680 2.980 ( 4.900 15.014 4.730) 16.487 5.485 ( 2.843 8.983 0.718) 9.450 6.106 ( -3.090 -3.169 -1.548) 4.689 6.271 ( 1.513 -1.367 -0.677) 2.149 6.779 ( 3.761 2.526 -5.510) 7.133 7.600 ( -3.044 -13.401 2.740) 14.013 8.276 ( -3.691 -1.679 -3.653) 5.458 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.822 5.237 3.245) 6.216 1.641 ( -0.355 12.630 -4.065) 13.273 1.882 ( 1.477 3.707 0.571) 4.031 2.121 ( 6.936 9.976 -0.583) 12.165 2.662 ( 3.316 1.038 -2.384) 4.214 3.270 ( 7.809 16.871 3.476) 18.913 5.643 ( 4.778 9.690 0.935) 10.844 6.021 ( -3.428 -1.373 -1.692) 4.062 6.293 ( 1.739 0.696 -1.467) 2.379 6.843 ( 4.545 -1.525 -3.465) 5.916 7.418 ( -5.070 -11.406 2.222) 12.678 8.170 ( -5.279 -1.882 -3.010) 6.362 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.770 6.163 3.906) 7.508 1.744 ( 0.926 10.419 -3.930) 11.174 1.921 ( 1.437 0.305 -0.475) 1.544 2.332 ( 5.559 9.746 1.107) 11.274 2.724 ( 3.579 1.568 -0.735) 3.976 3.540 ( 6.875 11.173 1.310) 13.184 5.821 ( 4.669 9.407 1.103) 10.560 5.971 ( -1.447 1.072 -1.195) 2.161 6.328 ( 1.255 2.084 -2.312) 3.356 6.878 ( 3.188 -2.682 -2.826) 5.034 7.234 ( -6.036 -8.239 2.085) 10.424 8.064 ( -3.660 -2.576 -1.849) 4.843 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.415 6.653 2.788) 7.225 1.846 ( 1.093 7.572 -1.689) 7.835 1.949 ( 2.892 -0.542 -1.001) 3.108 2.460 ( 1.580 2.700 1.801) 3.610 2.820 ( 2.109 8.935 -0.727) 9.209 3.714 ( 5.091 3.950 0.428) 6.458 5.960 ( 2.240 5.676 0.780) 6.151 6.004 ( 2.395 5.056 -0.124) 5.596 6.353 ( 0.372 1.448 -2.745) 3.126 6.874 ( -1.686 -0.322 -1.733) 2.439 7.091 ( -3.691 -3.974 1.422) 5.607 7.997 ( -0.046 -4.022 -0.689) 4.080 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -1.573 6.667 1.593) 7.033 1.896 ( 0.019 2.416 -0.824) 2.553 2.009 ( 3.825 0.458 -1.209) 4.038 2.463 ( -1.159 -2.039 1.547) 2.810 2.936 ( -2.886 14.940 -0.817) 15.238 3.799 ( 4.378 -2.277 0.759) 4.993 6.054 ( 3.371 4.556 0.866) 5.733 6.085 ( 0.970 3.607 0.228) 3.742 6.354 ( 0.305 -0.396 -2.706) 2.752 6.810 ( -7.108 4.437 1.076) 8.448 7.047 ( -0.229 -0.443 -0.724) 0.880 7.977 ( 3.018 -5.446 0.013) 6.227 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.837 5.665 1.145) 6.938 1.909 ( 0.528 0.222 -0.674) 0.885 2.050 ( 2.125 -1.606 -1.706) 3.163 2.421 ( -1.734 -1.560 1.514) 2.781 2.982 ( -8.736 14.763 -0.864) 17.176 3.831 ( 3.393 -5.150 1.148) 6.273 6.097 ( -1.834 0.577 0.624) 2.021 6.139 ( 1.095 2.221 0.830) 2.612 6.363 ( 3.056 -0.113 -2.862) 4.188 6.760 ( -6.941 9.098 2.237) 11.660 7.041 ( -0.135 -0.177 -1.420) 1.437 7.986 ( 4.320 -5.694 0.268) 7.152 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -5.976 2.816 1.247) 6.723 1.915 ( 0.426 -0.519 -0.120) 0.682 2.047 ( 0.710 -2.293 -1.950) 3.093 2.392 ( -1.299 -0.187 1.691) 2.140 2.925 ( -11.912 10.286 -0.813) 15.759 3.813 ( -0.707 -4.517 0.812) 4.643 6.050 ( -3.565 -0.953 0.919) 3.803 6.116 ( -3.978 -0.849 0.463) 4.094 6.432 ( 3.315 1.977 -2.954) 4.861 6.771 ( -2.987 9.757 1.276) 10.283 7.035 ( 1.342 -1.675 -0.646) 2.241 8.011 ( 4.543 -4.539 0.176) 6.424 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -7.186 -0.436 1.984) 7.467 1.903 ( -1.745 -0.817 0.620) 2.024 2.020 ( -1.050 -1.456 -3.303) 3.760 2.371 ( -2.886 0.323 2.501) 3.832 2.807 ( -9.519 5.172 -0.831) 10.866 3.711 ( -7.935 -2.517 0.437) 8.336 5.954 ( -7.953 -0.608 0.909) 8.028 6.040 ( -2.366 -1.921 -0.081) 3.049 6.447 ( -2.879 1.764 -2.249) 4.056 6.861 ( 3.557 7.318 -2.149) 8.416 7.063 ( 4.560 -2.620 1.619) 5.502 8.053 ( 4.786 -2.792 -0.379) 5.554 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 1.444 -2.180) 2.614 1.662 ( -0.000 12.680 -2.283) 12.884 1.886 ( 0.000 13.661 1.022) 13.699 1.943 ( -0.000 1.639 -2.142) 2.697 2.600 ( -0.000 1.938 -2.317) 3.021 3.134 ( 0.000 20.893 5.289) 21.552 5.546 ( -0.000 8.888 0.060) 8.888 6.105 ( -0.000 -1.912 -2.637) 3.257 6.239 ( 0.000 -1.134 0.024) 1.134 6.754 ( -0.000 0.581 -2.608) 2.672 7.500 ( 0.000 -13.256 1.474) 13.338 8.284 ( -0.000 -1.395 -3.423) 3.696 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.231 1.976 -1.648) 3.406 1.751 ( -0.906 10.017 -5.398) 11.415 1.918 ( -1.219 2.058 -0.555) 2.455 2.093 ( 7.126 10.683 -0.495) 12.851 2.619 ( 1.593 -0.418 1.269) 2.079 3.373 ( 2.725 19.510 3.525) 20.012 5.661 ( 3.614 8.696 -0.072) 9.417 6.059 ( -2.627 -0.308 -2.998) 3.998 6.256 ( 2.297 0.289 -0.482) 2.365 6.764 ( 2.170 -1.859 -0.413) 2.888 7.364 ( -1.864 -11.887 0.616) 12.048 8.229 ( -3.860 -1.096 -2.916) 4.960 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 4.569 3.201 0.640) 5.615 1.809 ( 0.460 7.131 -6.396) 9.591 1.922 ( -0.454 1.366 0.751) 1.624 2.321 ( 7.251 9.694 0.521) 12.117 2.659 ( 4.045 -0.731 1.844) 4.505 3.591 ( 2.488 14.185 1.448) 14.474 5.825 ( 5.553 8.385 0.181) 10.058 6.013 ( -2.334 1.746 -2.340) 3.737 6.304 ( 2.496 1.235 -1.646) 3.235 6.787 ( 3.530 -3.033 0.537) 4.685 7.222 ( -2.754 -9.421 0.335) 9.821 8.127 ( -5.919 -0.957 -2.203) 6.387 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 4.357 4.167 1.626) 6.245 1.878 ( 2.827 4.359 -3.669) 6.360 1.927 ( -1.088 1.840 0.682) 2.244 2.463 ( 1.523 2.464 1.708) 3.363 2.795 ( 9.334 5.957 0.361) 11.079 3.722 ( 0.393 7.179 0.070) 7.190 5.978 ( 2.778 5.799 0.071) 6.430 6.020 ( 1.255 4.808 -0.808) 5.034 6.339 ( 1.159 0.293 -2.349) 2.636 6.835 ( 4.647 -1.065 0.432) 4.787 7.102 ( -2.634 -5.926 0.589) 6.512 8.013 ( -5.343 -1.577 -1.413) 5.748 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 2.068 5.137 1.088) 5.643 1.919 ( -0.223 -0.326 0.155) 0.424 1.959 ( 2.160 2.941 -0.967) 3.775 2.465 ( -0.946 -1.678 1.128) 2.232 3.039 ( 7.680 12.114 -0.043) 14.344 3.745 ( -0.985 -0.604 -0.203) 1.174 6.049 ( 1.906 4.321 0.303) 4.733 6.109 ( 1.710 4.387 0.134) 4.711 6.331 ( -0.178 -1.953 -2.191) 2.940 6.910 ( 1.636 3.496 0.291) 3.871 7.036 ( -0.329 -2.152 0.461) 2.225 7.921 ( -2.385 -3.242 -0.682) 4.082 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -1.332 5.953 0.980) 6.178 1.910 ( -0.484 -0.111 -0.071) 0.502 1.994 ( 1.770 -2.044 -0.662) 2.784 2.432 ( -1.083 -1.454 0.640) 1.923 3.234 ( -1.894 15.601 -0.360) 15.719 3.705 ( 2.459 -7.796 0.305) 8.181 6.108 ( 0.380 0.892 0.420) 1.056 6.167 ( 0.796 4.605 1.037) 4.787 6.302 ( 1.269 -2.917 -2.320) 3.937 6.939 ( -3.349 6.380 1.613) 7.384 7.039 ( 0.257 0.080 -1.140) 1.171 7.876 ( 1.810 -4.409 -0.204) 4.771 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -6.007 2.781 1.070) 6.705 1.906 ( 0.271 -0.012 -0.068) 0.279 2.000 ( 2.167 -1.956 -0.784) 3.023 2.410 ( -0.761 -0.500 0.823) 1.227 3.227 ( -12.738 9.204 -0.290) 15.718 3.719 ( 6.233 -5.545 0.216) 8.345 6.086 ( -2.360 -0.818 0.763) 2.611 6.179 ( -2.933 0.339 0.350) 2.973 6.351 ( 5.930 1.005 -2.219) 6.411 6.946 ( -5.070 7.708 1.694) 9.381 7.009 ( -1.118 -2.826 -1.058) 3.218 7.894 ( 4.490 -3.043 -0.301) 5.432 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -7.368 -0.933 1.324) 7.544 1.911 ( 0.022 -0.044 0.177) 0.183 2.015 ( 0.224 0.522 -1.629) 1.725 2.401 ( -0.366 -0.038 1.834) 1.870 3.040 ( -13.830 0.729 -0.023) 13.849 3.755 ( 0.547 -0.680 -0.236) 0.904 6.032 ( -3.435 -0.589 0.444) 3.514 6.106 ( -5.232 -0.729 0.001) 5.283 6.445 ( 3.416 0.989 -2.989) 4.646 6.898 ( -2.738 -0.771 0.204) 2.851 7.004 ( 0.926 1.151 1.064) 1.820 7.954 ( 4.696 -0.536 -0.833) 4.799 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.000 1.296 -2.796) 3.082 1.813 ( -0.000 4.830 -10.262) 11.342 1.936 ( -0.000 1.429 -0.022) 1.429 2.136 ( 0.000 11.159 1.164) 11.219 2.607 ( 0.000 -1.452 4.311) 4.549 3.547 ( 0.000 18.221 2.598) 18.406 5.702 ( -0.000 7.109 -0.729) 7.146 6.075 ( -0.000 0.964 -4.615) 4.715 6.242 ( 0.000 1.275 0.649) 1.431 6.728 ( 0.000 -2.661 1.886) 3.261 7.267 ( -0.000 -10.937 -0.517) 10.950 8.247 ( -0.000 -0.613 -2.469) 2.544 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 4.073 1.743 -1.382) 4.641 1.812 ( 1.053 1.145 -9.280) 9.410 1.961 ( -0.633 3.631 1.254) 3.893 2.294 ( 6.188 9.103 0.413) 11.015 2.609 ( 1.114 -2.571 4.496) 5.298 3.715 ( 0.221 14.129 1.143) 14.176 5.803 ( 4.723 6.075 -0.687) 7.725 6.061 ( -1.726 2.528 -4.054) 5.080 6.277 ( 1.770 1.878 -0.033) 2.580 6.718 ( 1.507 -3.499 2.675) 4.655 7.161 ( -0.868 -8.761 -0.868) 8.846 8.203 ( -3.919 -0.196 -1.924) 4.371 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 6.509 2.166 0.091) 6.861 1.838 ( 3.075 0.834 -4.322) 5.369 1.982 ( -1.267 3.480 0.486) 3.735 2.463 ( 3.013 3.955 0.949) 5.062 2.664 ( 8.783 0.332 2.145) 9.047 3.817 ( -1.676 8.762 -0.087) 8.921 5.956 ( 6.277 5.345 -0.514) 8.260 6.057 ( -1.020 3.893 -2.349) 4.660 6.318 ( 1.227 0.909 -0.755) 1.703 6.735 ( 4.271 -3.371 1.950) 5.780 7.074 ( -0.894 -5.516 -0.373) 5.601 8.109 ( -6.472 0.027 -1.374) 6.617 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.245 2.147 -0.085) 6.605 1.888 ( 2.491 0.035 -0.491) 2.539 1.993 ( -1.183 2.842 0.070) 3.079 2.473 ( -1.327 -1.287 0.841) 2.031 2.916 ( 15.264 5.057 0.550) 16.089 3.819 ( -5.007 3.279 -0.615) 6.017 6.071 ( 1.194 4.685 -0.357) 4.848 6.104 ( 3.060 3.104 -0.954) 4.462 6.321 ( -0.779 -0.973 -0.378) 1.303 6.821 ( 8.369 -1.237 0.303) 8.466 7.027 ( -0.418 -1.984 0.554) 2.102 7.989 ( -7.091 -0.320 -0.809) 7.144 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 5.107 2.330 -0.374) 5.626 1.907 ( 0.469 -0.529 0.161) 0.725 1.985 ( -2.118 0.078 0.292) 2.140 2.437 ( -1.113 -1.294 0.029) 1.707 3.228 ( 14.944 5.989 0.324) 16.103 3.712 ( -8.579 -1.593 -0.422) 8.736 6.114 ( 0.364 1.287 -0.117) 1.342 6.181 ( 3.095 3.567 -0.449) 4.744 6.278 ( -2.291 -1.913 0.279) 2.998 6.961 ( 6.700 1.213 -0.860) 6.863 7.020 ( 0.478 -0.341 1.071) 1.221 7.876 ( -4.963 -0.819 -0.214) 5.034 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.039 0.075 0.017) 0.086 1.914 ( -3.557 -4.170 -0.026) 5.481 1.936 ( 3.017 3.533 0.009) 4.646 2.416 ( -0.543 -0.602 -0.000) 0.811 3.508 ( -9.588 -7.922 0.015) 12.437 3.510 ( 9.711 8.063 -0.015) 12.622 6.112 ( -0.647 -0.456 0.067) 0.794 6.216 ( -1.955 -2.978 -0.230) 3.570 6.279 ( 3.551 4.540 0.169) 5.766 6.997 ( -1.060 -1.895 -0.041) 2.172 7.048 ( 0.391 1.107 0.034) 1.174 7.832 ( 0.439 0.481 -0.000) 0.651 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -5.532 -4.220 0.348) 6.967 1.908 ( 0.346 0.182 0.079) 0.399 2.014 ( 1.885 3.351 -0.211) 3.851 2.404 ( -0.178 -0.616 0.601) 0.879 3.238 ( -12.602 -8.390 0.199) 15.141 3.706 ( 5.919 4.641 -0.349) 7.530 6.089 ( -2.492 0.651 0.775) 2.689 6.154 ( -2.251 -2.366 -0.696) 3.339 6.380 ( 4.210 2.504 -1.095) 5.019 6.900 ( -3.985 -7.975 -0.106) 8.916 7.050 ( -1.460 2.224 0.722) 2.757 7.891 ( 3.801 2.976 -0.455) 4.849 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -0.000 1.367 -1.429) 1.977 1.776 ( -0.000 -0.210 -7.385) 7.388 2.006 ( 0.000 3.413 0.832) 3.513 2.319 ( 0.000 7.124 0.538) 7.144 2.586 ( 0.000 -3.389 4.341) 5.507 3.841 ( 0.000 11.246 0.251) 11.249 5.805 ( -0.000 4.072 -0.653) 4.124 6.092 ( -0.000 3.508 -4.297) 5.547 6.286 ( 0.000 2.481 0.515) 2.534 6.678 ( 0.000 -4.057 2.747) 4.899 7.089 ( -0.000 -6.692 -0.943) 6.758 8.232 ( -0.000 0.081 -1.529) 1.531 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 4.860 1.316 -0.474) 5.058 1.785 ( 2.418 1.019 -2.825) 3.856 2.029 ( -0.710 2.461 0.552) 2.620 2.432 ( 5.617 4.914 -0.010) 7.463 2.567 ( 1.474 -3.813 2.801) 4.955 3.921 ( -1.221 7.046 -0.666) 7.182 5.888 ( 5.665 3.135 -0.345) 6.484 6.109 ( -1.185 4.320 -2.409) 5.086 6.315 ( 0.655 1.671 -0.039) 1.795 6.653 ( 1.564 -4.455 1.099) 4.848 7.035 ( -0.120 -3.715 -0.044) 3.717 8.197 ( -3.833 0.306 -1.159) 4.016 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 6.943 0.647 -0.590) 6.998 1.846 ( 3.010 1.629 0.616) 3.477 2.035 ( -1.091 1.601 0.669) 2.049 2.484 ( -1.151 -1.349 -0.115) 1.777 2.691 ( 14.023 0.883 0.846) 14.076 3.926 ( -3.685 2.884 -1.100) 4.807 6.027 ( 7.000 2.221 -0.529) 7.363 6.124 ( -1.256 3.456 -0.441) 3.703 6.331 ( -0.291 0.602 0.342) 0.751 6.671 ( 5.846 -3.314 -0.783) 6.765 7.015 ( 0.172 -0.985 0.900) 1.345 8.109 ( -6.627 0.439 -0.751) 6.684 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 6.991 -0.513 -1.054) 7.089 1.896 ( 1.020 0.669 0.787) 1.452 2.026 ( -1.702 0.484 1.042) 2.053 2.443 ( -1.205 -1.535 -0.966) 2.177 2.969 ( 17.428 -0.115 0.604) 17.439 3.848 ( -6.889 0.260 -0.838) 6.944 6.112 ( 0.730 -1.094 -1.055) 1.686 6.146 ( 2.756 1.768 0.021) 3.274 6.322 ( -1.885 1.607 1.801) 3.063 6.793 ( 10.882 -0.940 -1.505) 11.026 7.017 ( 0.021 -0.078 1.160) 1.163 7.990 ( -7.611 0.663 -0.180) 7.642 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 5.129 -3.739 -1.096) 6.441 1.906 ( 0.007 0.314 0.057) 0.320 1.994 ( -2.377 0.822 0.716) 2.616 2.417 ( -0.430 -0.611 -0.921) 1.186 3.225 ( 14.631 -6.278 0.176) 15.922 3.720 ( -8.263 2.374 -0.049) 8.597 6.094 ( 0.425 -2.407 -0.971) 2.630 6.181 ( 1.438 -2.747 -0.145) 3.104 6.332 ( -1.408 5.434 2.409) 6.108 6.958 ( 8.848 -1.170 -1.162) 9.000 7.002 ( -1.614 -1.462 0.441) 2.222 7.891 ( -4.984 2.160 0.449) 5.451 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 1.127 0.162) 1.138 1.779 ( 0.000 2.934 0.860) 3.057 2.055 ( 0.000 1.364 0.755) 1.559 2.412 ( -0.000 2.288 0.021) 2.288 2.529 ( 0.000 -3.883 0.833) 3.972 3.980 ( -0.000 3.543 -1.384) 3.804 5.859 ( 0.000 1.717 0.318) 1.746 6.162 ( -0.000 4.874 -0.470) 4.897 6.322 ( -0.000 0.818 -0.414) 0.916 6.597 ( -0.000 -4.507 -1.439) 4.731 7.012 ( 0.000 -1.271 1.039) 1.642 8.229 ( -0.000 0.297 -1.015) 1.058 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 4.336 0.502 0.230) 4.371 1.838 ( 1.599 4.059 3.490) 5.587 2.062 ( -0.586 0.501 1.343) 1.549 2.477 ( 1.527 -0.410 -1.521) 2.194 2.503 ( 6.214 -2.937 0.316) 6.880 3.979 ( -1.526 -0.280 -1.769) 2.353 5.924 ( 5.827 0.590 0.463) 5.875 6.186 ( -2.187 2.937 1.418) 3.927 6.333 ( 0.950 0.392 -0.011) 1.027 6.569 ( 2.265 -2.651 -3.413) 4.879 7.015 ( 0.001 0.820 1.663) 1.854 8.198 ( -3.669 0.363 -0.853) 3.784 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 6.047 -0.930 -0.571) 6.145 1.900 ( 0.474 2.374 2.352) 3.375 2.054 ( -1.093 -0.318 2.268) 2.537 2.438 ( -0.790 -2.185 -2.519) 3.427 2.687 ( 14.805 -1.761 0.675) 14.925 3.917 ( -3.197 -3.043 -1.509) 4.664 6.030 ( 6.110 -1.703 -0.371) 6.354 6.154 ( -2.346 -1.186 0.636) 2.704 6.361 ( 0.628 1.859 2.381) 3.085 6.626 ( 7.069 0.762 -2.998) 7.716 7.031 ( -0.392 1.679 1.455) 2.256 8.115 ( -6.332 0.567 -0.490) 6.376 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 5.598 -3.572 -1.414) 6.790 1.913 ( -0.460 0.504 0.350) 0.767 2.030 ( -1.696 -0.901 2.149) 2.882 2.409 ( 0.036 -0.964 -2.229) 2.429 2.919 ( 15.149 -5.168 0.668) 16.020 3.819 ( -3.992 -3.087 -0.639) 5.087 6.058 ( 0.795 -3.607 -0.919) 3.806 6.119 ( 1.399 -3.927 -0.192) 4.173 6.404 ( 0.095 3.829 3.549) 5.222 6.783 ( 9.895 1.382 -1.543) 10.109 7.030 ( -1.932 0.985 0.569) 2.242 8.011 ( -6.558 1.527 0.184) 6.736 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 0.522 1.083) 1.202 1.888 ( 0.000 5.416 5.236) 7.534 2.074 ( 0.000 -0.074 2.893) 2.894 2.406 ( -0.000 -2.823 -0.255) 2.835 2.455 ( -0.000 -2.584 -3.295) 4.187 3.963 ( -0.000 -4.313 -2.216) 4.849 5.875 ( 0.000 -0.599 1.098) 1.251 6.243 ( 0.000 0.769 3.685) 3.764 6.307 ( -0.000 -1.804 -1.150) 2.139 6.531 ( -0.000 1.461 -4.613) 4.839 7.038 ( 0.000 2.675 1.915) 3.289 8.230 ( -0.000 0.406 -1.016) 1.094 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 3.046 -0.473 0.551) 3.131 1.937 ( -0.732 2.380 2.315) 3.400 2.076 ( -1.062 -0.442 4.925) 5.057 2.404 ( 1.312 -4.431 -2.809) 5.408 2.472 ( 7.868 -0.514 -0.608) 7.908 3.890 ( -0.685 -7.800 -2.088) 8.104 5.909 ( 4.895 -2.761 0.634) 5.656 6.189 ( -3.716 -3.052 0.600) 4.846 6.329 ( 3.547 -1.896 0.884) 4.118 6.578 ( 2.185 6.257 -1.764) 6.859 7.071 ( -0.622 3.834 1.381) 4.123 8.202 ( -3.514 0.635 -1.004) 3.710 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 3.858 -2.928 -0.938) 4.933 1.927 ( -0.959 -0.980 -0.413) 1.432 2.052 ( -1.763 -1.861 4.121) 4.853 2.378 ( 1.189 -2.843 -3.030) 4.322 2.648 ( 12.445 -1.788 1.387) 12.649 3.791 ( -0.333 -9.350 -1.326) 9.449 5.954 ( 4.872 -5.960 -0.636) 7.724 6.100 ( -2.779 -3.468 -0.277) 4.453 6.386 ( 4.518 -1.130 1.752) 4.976 6.703 ( 4.500 7.624 1.135) 8.926 7.089 ( -2.182 3.836 0.184) 4.416 8.128 ( -5.706 1.238 -0.562) 5.865 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.000 -0.586 0.711) 0.922 1.952 ( -0.000 -1.776 -0.706) 1.911 2.107 ( 0.000 -0.584 6.165) 6.193 2.303 ( -0.000 -7.498 -0.128) 7.499 2.435 ( -0.000 4.017 -1.859) 4.426 3.789 ( -0.000 -12.415 -2.162) 12.602 5.836 ( 0.000 -4.344 0.735) 4.405 6.201 ( -0.000 -4.562 -0.275) 4.570 6.257 ( -0.000 -2.197 -0.808) 2.341 6.638 ( 0.000 8.877 1.933) 9.085 7.126 ( 0.000 5.520 0.718) 5.566 8.236 ( -0.000 1.046 -1.458) 1.794 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.251 -2.374 -0.676) 2.768 1.907 ( -0.332 -5.029 -2.344) 5.559 2.074 ( -2.136 -3.377 3.192) 5.114 2.269 ( 4.229 -8.440 -1.389) 9.542 2.533 ( 4.472 6.548 2.632) 8.355 3.655 ( 1.199 -15.509 -1.589) 15.636 5.815 ( 3.422 -7.119 -0.192) 7.901 6.119 ( -3.143 -3.078 -1.164) 4.551 6.287 ( 4.654 -1.817 -0.202) 5.000 6.749 ( 1.644 9.026 4.784) 10.347 7.172 ( -1.675 6.351 -0.557) 6.592 8.216 ( -3.304 1.659 -1.490) 3.986 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.000 -2.935 -1.509) 3.300 1.828 ( -0.000 -9.205 -4.780) 10.372 2.060 ( -0.000 -5.035 -0.096) 5.036 2.128 ( 0.000 -10.466 0.847) 10.500 2.594 ( 0.000 9.465 4.696) 10.566 3.464 ( -0.000 -20.289 -1.106) 20.319 5.712 ( -0.000 -8.367 -0.315) 8.373 6.120 ( -0.000 -2.230 -2.403) 3.278 6.231 ( 0.000 -0.113 0.205) 0.234 6.834 ( 0.000 7.875 7.197) 10.668 7.255 ( -0.000 8.146 -1.566) 8.295 8.257 ( -0.000 2.323 -2.191) 3.193 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 -0.000 20.110) 20.110 0.520 ( 0.000 -0.000 20.110) 20.110 1.034 ( 0.000 -0.000 39.900) 39.900 1.610 ( -0.000 0.000 -5.267) 5.267 1.610 ( -0.000 0.000 -5.267) 5.267 3.428 ( -0.000 0.000 -14.677) 14.677 5.127 ( 0.000 -0.000 1.386) 1.386 5.127 ( 0.000 -0.000 1.386) 1.386 6.401 ( -0.000 0.000 -0.749) 0.749 6.401 ( -0.000 0.000 -0.749) 0.749 8.267 ( 0.000 -0.000 2.099) 2.099 8.529 ( -0.000 0.000 -0.757) 0.757 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 4.536 2.619 16.353) 17.172 0.756 ( 6.239 3.602 21.328) 22.512 1.352 ( 17.953 10.365 28.679) 35.387 1.640 ( 5.387 3.110 -7.303) 9.593 1.641 ( 2.763 1.595 -4.502) 5.518 3.104 ( -11.662 -6.733 -5.754) 14.644 5.159 ( 2.383 1.376 1.376) 3.076 5.909 ( 41.445 23.929 -26.594) 54.750 6.365 ( -2.773 -1.601 -1.114) 3.390 6.384 ( -1.388 -0.801 -0.757) 1.772 8.226 ( -5.556 -3.208 3.501) 7.308 8.419 ( -6.497 -3.751 0.464) 7.517 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.086 5.823 9.302) 14.905 0.928 ( 5.050 2.916 17.646) 18.585 1.710 ( 4.509 2.603 -3.419) 6.229 1.711 ( 7.149 4.127 1.078) 8.325 1.948 ( 23.269 13.434 7.386) 27.865 2.943 ( -2.211 -1.277 -6.842) 7.303 5.240 ( 4.579 2.644 1.168) 5.415 6.246 ( -4.908 -2.834 -1.763) 5.935 6.341 ( -2.142 -1.236 -0.710) 2.573 6.555 ( 21.805 12.589 -18.721) 31.375 8.027 ( -12.326 -7.117 6.054) 15.467 8.310 ( -3.757 -2.169 -2.670) 5.094 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 10.032 5.792 4.404) 12.393 1.098 ( 7.067 4.080 9.110) 12.230 1.826 ( 6.637 3.832 -2.030) 7.928 1.845 ( 5.353 3.091 -2.307) 6.598 2.452 ( 18.251 10.537 2.059) 21.175 2.967 ( 6.319 3.648 -2.033) 7.575 5.367 ( 6.443 3.720 0.840) 7.487 6.113 ( -5.941 -3.430 -1.389) 6.999 6.292 ( -1.907 -1.101 -0.582) 2.278 6.877 ( 11.428 6.598 -11.200) 17.308 7.747 ( -13.967 -8.064 5.224) 16.953 8.220 ( -3.485 -2.012 -2.906) 4.964 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 7.539 4.352 1.282) 8.799 1.296 ( 9.147 5.281 2.775) 10.921 1.935 ( 3.442 1.987 -2.213) 4.549 1.990 ( 8.253 4.765 -0.736) 9.558 2.703 ( 5.344 3.085 -2.317) 6.591 3.229 ( 15.183 8.766 2.843) 17.761 5.524 ( 7.340 4.238 0.420) 8.486 5.997 ( -3.703 -2.138 -1.250) 4.454 6.259 ( -0.815 -0.470 -0.307) 0.990 7.014 ( 3.556 2.053 -8.771) 9.685 7.445 ( -14.113 -8.148 4.398) 16.880 8.155 ( -1.522 -0.879 -1.156) 2.103 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 4.979 2.875 -0.361) 5.760 1.511 ( 9.724 5.614 -0.893) 11.264 1.993 ( 2.413 1.393 -1.644) 3.236 2.173 ( 7.906 4.565 -0.025) 9.130 2.737 ( -1.319 -0.762 -0.665) 1.662 3.561 ( 12.991 7.500 2.263) 15.170 5.683 ( 6.643 3.835 -0.154) 7.672 5.958 ( 0.725 0.418 -0.952) 1.267 6.256 ( 0.545 0.315 0.202) 0.661 6.981 ( -5.195 -3.000 -8.077) 10.061 7.181 ( -8.957 -5.171 4.085) 11.120 8.146 ( 0.590 0.341 0.624) 0.923 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.083 1.780 -0.994) 3.697 1.712 ( 8.706 5.026 -3.687) 10.707 2.040 ( 2.284 1.319 -1.182) 2.890 2.326 ( 5.478 3.163 0.208) 6.329 2.656 ( -5.664 -3.270 0.725) 6.581 3.801 ( 7.951 4.590 2.140) 9.427 5.808 ( 4.575 2.641 -0.797) 5.342 6.026 ( 5.464 3.155 -0.854) 6.367 6.279 ( 1.123 0.648 0.842) 1.546 6.764 ( -10.895 -6.290 -1.744) 12.700 7.079 ( -2.217 -1.280 -0.501) 2.609 8.171 ( 1.119 0.646 1.291) 1.826 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 1.621 0.936 -1.072) 2.157 1.868 ( 6.214 3.588 -4.942) 8.712 2.093 ( 3.060 1.767 -2.481) 4.317 2.408 ( 1.768 1.021 0.234) 2.055 2.513 ( -6.933 -4.003 2.296) 8.328 3.924 ( 2.484 1.434 2.499) 3.804 5.880 ( 2.093 1.208 -1.158) 2.679 6.183 ( 8.483 4.898 -1.900) 9.978 6.299 ( 0.135 0.078 1.230) 1.240 6.537 ( -9.102 -5.255 2.482) 10.799 7.052 ( -0.101 -0.058 -1.551) 1.555 8.195 ( 0.608 0.351 1.350) 1.522 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.352 0.203 -0.769) 0.870 1.952 ( 2.017 1.165 -2.046) 3.100 2.155 ( 2.752 1.589 -6.026) 6.812 2.396 ( -3.120 -1.801 3.447) 4.986 2.402 ( -2.421 -1.398 0.141) 2.799 3.921 ( -3.569 -2.061 2.477) 4.808 5.894 ( -0.628 -0.362 -0.997) 1.232 6.286 ( -1.450 -0.837 1.102) 2.004 6.293 ( -2.764 -1.596 -1.375) 3.475 6.462 ( 5.940 3.430 2.499) 7.300 7.066 ( 1.842 1.063 -1.284) 2.484 8.207 ( 0.221 0.128 1.542) 1.563 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.904 -0.522 -0.024) 1.044 1.942 ( -2.941 -1.698 1.576) 3.744 2.139 ( -2.681 -1.548 -1.337) 3.372 2.303 ( -6.341 -3.661 -0.131) 7.324 2.438 ( 6.027 3.480 -2.590) 7.425 3.772 ( -10.469 -6.044 1.812) 12.224 5.841 ( -4.087 -2.360 -0.349) 4.732 6.189 ( -4.701 -2.714 2.449) 5.955 6.251 ( -1.581 -0.913 0.470) 1.886 6.661 ( 9.676 5.586 -3.546) 11.722 7.130 ( 4.137 2.389 -0.131) 4.779 8.221 ( 0.757 0.437 2.036) 2.216 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 13.170 14.486) 19.578 0.844 ( 0.000 13.567 16.547) 21.398 1.376 ( 0.000 11.233 32.460) 34.348 1.553 ( -0.000 -0.446 -7.764) 7.777 1.694 ( -0.000 10.146 -5.016) 11.318 3.086 ( -0.000 -13.400 -7.985) 15.598 5.160 ( 0.000 2.696 1.363) 3.021 5.827 ( -0.000 44.381 -21.902) 49.491 6.369 ( -0.000 -2.465 -1.331) 2.802 6.379 ( -0.000 -1.745 -0.761) 1.904 8.231 ( 0.000 -6.580 3.341) 7.380 8.431 ( -0.000 -5.943 -0.259) 5.949 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -1.062 17.060 9.381) 19.498 1.012 ( -0.680 9.934 18.663) 21.154 1.583 ( 5.934 0.391 -7.608) 9.656 1.677 ( 9.056 7.895 12.435) 17.290 1.855 ( 8.128 18.527 2.937) 20.444 2.933 ( -2.285 -5.153 -8.526) 10.221 5.218 ( 2.443 4.103 1.269) 4.941 6.244 ( 5.242 6.836 -7.519) 11.435 6.347 ( 0.781 0.718 -2.479) 2.697 6.367 ( 6.682 11.258 -11.205) 17.232 8.106 ( -5.843 -11.407 5.164) 13.818 8.349 ( -3.659 -2.245 -2.401) 4.918 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 1.526 15.711 6.194) 16.957 1.133 ( 0.214 8.228 13.222) 15.575 1.703 ( 8.385 2.310 -4.563) 9.822 1.836 ( 3.234 6.902 -1.085) 7.700 2.293 ( 16.378 16.444 4.863) 23.713 2.899 ( 3.615 1.305 -5.225) 6.486 5.326 ( 4.359 5.636 1.106) 7.210 6.163 ( -4.939 -4.574 -1.148) 6.829 6.311 ( -1.546 -1.252 -0.742) 2.123 6.709 ( 13.398 10.842 -12.225) 21.131 7.873 ( -10.003 -11.509 5.071) 16.070 8.256 ( -4.177 -1.909 -3.192) 5.593 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 1.822 10.239 6.408) 12.215 1.279 ( 3.941 10.307 3.451) 11.562 1.856 ( 6.903 2.656 -2.039) 7.672 1.954 ( 4.118 7.527 -1.814) 8.769 2.623 ( 8.371 6.505 -2.249) 10.837 3.085 ( 12.893 9.185 1.515) 15.903 5.474 ( 5.579 6.927 0.891) 8.938 6.037 ( -4.523 -3.529 -0.943) 5.814 6.277 ( -1.367 0.092 -0.728) 1.551 6.919 ( 7.347 3.119 -8.594) 11.729 7.594 ( -12.188 -10.109 4.066) 16.348 8.168 ( -2.629 -2.150 -1.882) 3.883 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 2.187 7.195 3.296) 8.210 1.463 ( 5.405 10.044 0.461) 11.416 1.949 ( 3.517 0.958 -1.708) 4.026 2.124 ( 6.133 9.101 -0.446) 10.984 2.729 ( 1.920 0.900 -1.963) 2.890 3.423 ( 13.783 9.548 1.943) 16.879 5.640 ( 5.408 7.463 0.559) 9.234 5.959 ( -1.398 -1.167 -0.482) 1.884 6.267 ( -0.551 1.495 -0.519) 1.675 6.971 ( 0.730 -1.288 -8.118) 8.252 7.311 ( -11.796 -7.758 3.796) 14.620 8.127 ( 0.459 -2.047 0.139) 2.103 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 1.231 5.606 0.857) 5.803 1.647 ( 5.817 8.348 -1.259) 10.253 2.002 ( 2.869 0.503 -1.254) 3.171 2.302 ( 4.505 8.435 0.241) 9.566 2.708 ( -3.269 -1.483 -0.754) 3.668 3.705 ( 10.118 5.992 1.664) 11.876 5.788 ( 3.618 7.028 0.044) 7.905 5.974 ( 3.153 1.554 -0.104) 3.517 6.283 ( 0.264 2.199 -0.057) 2.215 6.865 ( -7.683 -4.406 -5.007) 10.174 7.117 ( -5.202 -3.383 1.679) 6.428 8.136 ( 2.420 -2.143 1.199) 3.448 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.098 4.449 -0.194) 4.454 1.801 ( 5.091 5.712 -3.543) 8.432 2.052 ( 2.860 0.721 -1.262) 3.208 2.424 ( 1.302 5.984 0.677) 6.161 2.604 ( -6.701 -1.238 0.081) 6.815 3.880 ( 5.568 2.176 2.133) 6.347 5.890 ( 1.011 6.075 -0.475) 6.177 6.084 ( 6.888 2.934 -0.483) 7.502 6.310 ( 0.251 1.944 0.384) 1.997 6.659 ( -9.869 -3.702 0.270) 10.544 7.053 ( -1.111 -0.892 -1.136) 1.823 8.161 ( 2.600 -2.457 1.312) 3.811 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.955 3.330 -0.502) 3.500 1.904 ( 3.824 2.410 -3.688) 5.834 2.101 ( 2.695 0.629 -3.409) 4.391 2.441 ( -2.855 -1.753 2.680) 4.290 2.507 ( -6.366 6.239 -0.215) 8.916 3.941 ( 0.239 -1.220 2.458) 2.754 5.934 ( -1.769 4.721 -0.679) 5.087 6.211 ( 4.794 -1.340 -1.166) 5.112 6.340 ( 1.078 3.598 -1.011) 3.890 6.502 ( -6.120 0.255 4.172) 7.411 7.045 ( 0.916 0.296 -1.628) 1.891 8.179 ( 2.108 -2.710 1.267) 3.660 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -1.857 1.924 -0.284) 2.689 1.948 ( 0.851 -0.631 -0.646) 1.240 2.119 ( 0.984 -1.659 -4.887) 5.254 2.379 ( -3.340 -1.411 2.877) 4.628 2.474 ( -5.116 7.838 -0.924) 9.405 3.872 ( -6.352 -4.213 2.145) 7.918 5.914 ( -4.784 2.365 -0.408) 5.353 6.189 ( -1.290 -5.241 0.605) 5.431 6.334 ( -4.604 2.386 -0.018) 5.185 6.570 ( 6.887 6.453 -0.100) 9.438 7.081 ( 3.235 1.022 -1.002) 3.538 8.191 ( 2.146 -2.597 1.446) 3.666 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.000 16.721 7.668) 18.395 1.191 ( 0.000 12.977 12.735) 18.182 1.515 ( -0.000 2.197 -9.579) 9.828 1.715 ( 0.000 8.623 13.040) 15.634 1.990 ( 0.000 21.320 3.210) 21.561 2.874 ( -0.000 -4.441 -8.800) 9.857 5.247 ( 0.000 5.541 1.110) 5.651 6.244 ( -0.000 -0.032 -1.826) 1.826 6.330 ( -0.000 -2.739 -0.636) 2.811 6.409 ( -0.000 19.158 -14.324) 23.921 8.042 ( 0.000 -13.997 4.685) 14.760 8.354 ( -0.000 -1.943 -3.315) 3.843 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.172 16.431 3.094) 16.761 1.294 ( -3.532 8.653 10.878) 14.341 1.594 ( 6.739 6.239 -5.452) 10.680 1.847 ( 3.067 6.367 2.063) 7.362 2.280 ( 7.752 20.336 3.597) 22.059 2.845 ( 2.248 1.382 -5.074) 5.719 5.332 ( 2.573 6.948 0.997) 7.476 6.183 ( -3.134 -4.746 -0.972) 5.770 6.305 ( 0.067 -2.191 -0.666) 2.291 6.615 ( 7.421 13.251 -10.029) 18.200 7.879 ( -4.331 -14.224 4.212) 15.454 8.296 ( -3.387 -1.671 -3.915) 5.440 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -1.564 6.972 7.846) 10.612 1.363 ( 0.050 14.930 -0.691) 14.946 1.776 ( 6.735 6.685 -0.244) 9.492 1.957 ( 3.672 6.816 -2.317) 8.082 2.561 ( 6.816 9.091 -2.389) 11.611 2.997 ( 9.461 11.170 1.724) 14.739 5.468 ( 4.453 8.414 1.014) 9.573 6.071 ( -4.217 -4.015 -1.078) 5.921 6.288 ( -0.141 -0.525 -1.000) 1.138 6.806 ( 7.308 4.551 -6.330) 10.686 7.660 ( -7.416 -12.655 3.405) 15.058 8.199 ( -4.351 -2.048 -3.227) 5.791 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.099 7.459 6.347) 9.794 1.508 ( 2.183 12.391 -2.141) 12.762 1.898 ( 3.283 1.992 -0.470) 3.869 2.123 ( 6.028 10.935 -0.903) 12.519 2.689 ( 3.743 2.471 -2.454) 5.113 3.313 ( 11.922 12.370 1.950) 17.290 5.639 ( 5.022 9.389 1.029) 10.697 5.978 ( -2.756 -1.916 -0.614) 3.413 6.287 ( -0.078 1.402 -1.257) 1.885 6.902 ( 3.790 -0.448 -5.489) 6.685 7.417 ( -9.317 -9.939 2.755) 13.899 8.111 ( -2.154 -2.767 -1.381) 3.768 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.382 7.296 3.548) 8.121 1.662 ( 3.330 10.276 -0.879) 10.837 1.952 ( 2.816 0.121 -1.051) 3.008 2.323 ( 4.653 10.638 0.501) 11.622 2.731 ( 0.003 1.173 -1.512) 1.914 3.601 ( 10.039 7.741 1.008) 12.717 5.809 ( 3.859 9.147 0.918) 9.971 5.953 ( 0.771 0.821 0.081) 1.129 6.304 ( 0.105 2.536 -1.277) 2.841 6.894 ( -1.543 -2.091 -5.187) 5.802 7.194 ( -8.061 -6.166 2.362) 10.420 8.072 ( 1.312 -3.706 0.274) 3.941 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -1.254 6.726 1.663) 7.041 1.795 ( 2.465 7.201 -1.279) 7.718 2.001 ( 3.380 0.068 -0.941) 3.509 2.459 ( 1.587 5.044 1.133) 5.408 2.716 ( -4.255 5.342 -1.421) 6.976 3.798 ( 7.247 2.552 1.255) 7.786 5.939 ( 1.790 7.640 0.735) 7.882 6.018 ( 4.186 2.921 0.276) 5.112 6.326 ( 0.142 2.163 -1.105) 2.433 6.783 ( -7.702 -1.319 -1.726) 8.002 7.069 ( -2.802 -2.089 0.098) 3.497 8.077 ( 3.403 -4.543 0.879) 5.744 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -2.363 5.869 0.799) 6.377 1.874 ( 1.856 3.332 -2.306) 4.457 2.054 ( 2.807 0.256 -1.631) 3.257 2.468 ( -1.798 -2.074 1.703) 3.230 2.708 ( -6.695 12.132 -1.063) 13.897 3.900 ( 3.812 -1.484 1.811) 4.474 6.018 ( -0.984 6.491 0.501) 6.584 6.122 ( 4.982 1.086 -0.226) 5.104 6.345 ( 0.738 1.454 -1.337) 2.108 6.647 ( -8.244 2.465 1.894) 8.811 7.036 ( -0.262 -0.079 -1.423) 1.449 8.094 ( 3.769 -4.996 0.867) 6.318 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -3.541 4.357 0.510) 5.638 1.917 ( 1.765 0.577 -1.688) 2.509 2.077 ( 1.093 -1.145 -3.069) 3.453 2.416 ( -2.170 -1.710 2.665) 3.839 2.694 ( -8.929 12.065 -0.942) 15.040 3.903 ( -1.116 -3.931 1.791) 4.462 6.027 ( -4.226 3.931 0.494) 5.793 6.158 ( 0.035 -3.022 -0.092) 3.023 6.383 ( 1.565 2.125 -2.810) 3.855 6.600 ( -2.769 7.310 3.008) 8.375 7.043 ( 1.516 0.246 -1.400) 2.079 8.109 ( 3.581 -4.935 0.776) 6.147 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.000 2.414 -0.080) 2.415 1.391 ( 0.000 14.715 1.889) 14.835 1.622 ( -0.000 13.282 -0.500) 13.292 1.880 ( 0.000 4.735 1.090) 4.859 2.415 ( 0.000 17.226 0.248) 17.228 2.851 ( -0.000 7.600 -0.212) 7.603 5.382 ( 0.000 7.885 0.576) 7.906 6.164 ( -0.000 -4.510 -1.577) 4.778 6.275 ( -0.000 -2.508 -0.303) 2.526 6.650 ( -0.000 10.132 -5.999) 11.775 7.781 ( 0.000 -15.006 3.182) 15.339 8.299 ( -0.000 -1.484 -4.372) 4.617 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.657 2.730 -1.546) 3.205 1.514 ( -1.171 12.904 -1.522) 13.046 1.788 ( 2.909 11.736 2.882) 12.430 1.942 ( 3.495 4.280 -3.146) 6.359 2.559 ( 2.643 7.555 -1.948) 8.238 3.018 ( 4.645 16.689 4.100) 17.802 5.490 ( 3.055 8.769 0.419) 9.295 6.091 ( -2.874 -3.602 -2.052) 5.044 6.266 ( 1.170 -1.339 -0.557) 1.864 6.744 ( 3.587 4.324 -2.654) 6.214 7.621 ( -2.899 -14.188 2.223) 14.651 8.243 ( -3.511 -1.384 -4.053) 5.538 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.945 4.043 1.404) 5.196 1.607 ( -0.389 11.515 -4.020) 12.203 1.890 ( 0.796 3.030 1.138) 3.333 2.112 ( 7.670 11.052 -1.250) 13.510 2.649 ( 3.123 2.606 -0.792) 4.144 3.297 ( 7.060 16.331 2.726) 18.000 5.649 ( 5.046 9.532 0.549) 10.799 6.007 ( -3.019 -1.688 -1.684) 3.847 6.282 ( 1.412 0.508 -1.206) 1.925 6.822 ( 3.802 -0.193 -1.458) 4.077 7.434 ( -4.779 -12.058 1.545) 13.062 8.145 ( -4.809 -1.644 -2.866) 5.835 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.375 5.167 3.117) 6.484 1.713 ( 1.984 10.226 -3.253) 10.913 1.919 ( 0.947 0.424 -0.027) 1.038 2.339 ( 5.930 10.338 0.520) 11.930 2.719 ( 3.153 2.297 -0.432) 3.925 3.549 ( 6.483 10.716 0.861) 12.554 5.829 ( 4.851 9.293 0.733) 10.509 5.963 ( -0.962 0.900 -0.743) 1.513 6.311 ( 1.116 1.700 -1.687) 2.642 6.859 ( 2.216 -1.338 -1.725) 3.110 7.248 ( -5.683 -8.704 1.296) 10.475 8.050 ( -3.008 -2.636 -1.271) 4.197 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.178 6.122 2.025) 6.450 1.835 ( 1.658 7.848 -0.670) 8.049 1.942 ( 2.625 -0.559 -0.641) 2.760 2.472 ( 1.597 2.858 0.983) 3.418 2.814 ( 1.813 9.328 -0.860) 9.541 3.718 ( 5.274 3.666 0.370) 6.433 5.966 ( 2.356 5.171 0.759) 5.733 6.005 ( 2.653 5.398 0.265) 6.021 6.334 ( 0.420 1.044 -1.821) 2.140 6.861 ( -1.583 1.070 -1.488) 2.421 7.101 ( -4.097 -4.416 0.826) 6.080 7.994 ( 0.468 -4.302 -0.075) 4.328 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -1.731 6.503 1.392) 6.872 1.890 ( -0.341 2.846 -0.632) 2.935 2.000 ( 3.578 0.414 -0.822) 3.694 2.473 ( -1.005 -2.138 0.794) 2.492 2.928 ( -3.040 15.212 -0.881) 15.538 3.806 ( 4.790 -2.510 0.857) 5.475 6.061 ( 3.589 4.253 0.776) 5.619 6.089 ( 0.773 3.972 0.642) 4.097 6.334 ( 0.317 -0.723 -1.880) 2.039 6.818 ( -6.378 5.195 0.692) 8.255 7.040 ( -0.815 -0.702 -0.861) 1.377 7.979 ( 3.264 -5.727 0.357) 6.602 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -3.951 5.732 1.212) 7.066 1.903 ( 0.370 0.747 -0.815) 1.166 2.037 ( 1.678 -1.336 -1.468) 2.599 2.433 ( -1.329 -1.809 1.326) 2.607 2.975 ( -8.790 14.905 -0.798) 17.322 3.840 ( 3.569 -5.502 1.083) 6.647 6.104 ( -1.570 0.343 0.922) 1.852 6.145 ( 0.691 2.760 0.438) 2.878 6.341 ( 2.801 -0.362 -2.487) 3.764 6.778 ( -6.664 8.997 1.991) 11.372 7.029 ( -0.098 -0.128 -1.415) 1.424 7.988 ( 4.424 -5.959 0.242) 7.426 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.000 1.452 -4.267) 4.507 1.631 ( -0.000 10.652 -5.042) 11.785 1.900 ( 0.000 13.527 2.195) 13.703 1.918 ( -0.000 0.877 -3.290) 3.405 2.595 ( 0.000 4.249 0.807) 4.325 3.176 ( 0.000 20.237 4.626) 20.759 5.546 ( -0.000 8.595 -0.205) 8.597 6.078 ( -0.000 -2.566 -3.573) 4.399 6.240 ( 0.000 -0.919 0.252) 0.953 6.746 ( 0.000 1.977 0.647) 2.080 7.511 ( 0.000 -14.086 0.958) 14.118 8.252 ( -0.000 -0.867 -4.015) 4.108 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 3.465 2.232 -2.554) 4.849 1.694 ( -0.290 7.965 -7.936) 11.247 1.916 ( -0.327 1.863 -0.008) 1.891 2.092 ( 6.554 11.615 0.346) 13.341 2.636 ( 1.034 1.390 2.622) 3.142 3.400 ( 2.300 18.547 2.927) 18.917 5.659 ( 3.862 8.434 -0.351) 9.283 6.031 ( -2.004 -0.780 -3.597) 4.191 6.254 ( 1.705 0.394 -0.129) 1.754 6.772 ( 1.715 -0.869 2.229) 2.944 7.367 ( -1.656 -12.603 0.075) 12.711 8.203 ( -3.706 -0.546 -3.294) 4.989 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 5.779 3.037 0.211) 6.532 1.754 ( 1.937 6.589 -6.425) 9.405 1.929 ( -0.603 1.854 0.878) 2.138 2.324 ( 7.572 9.993 0.221) 12.540 2.677 ( 2.963 0.015 2.355) 3.785 3.601 ( 2.057 13.536 0.971) 13.726 5.825 ( 5.871 8.144 -0.202) 10.042 5.993 ( -1.566 1.549 -2.489) 3.323 6.293 ( 1.950 1.248 -0.816) 2.455 6.798 ( 2.704 -2.266 2.067) 4.089 7.223 ( -2.353 -9.908 -0.138) 10.184 8.109 ( -5.631 -0.597 -2.198) 6.074 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 4.694 3.563 0.698) 5.935 1.852 ( 4.089 5.066 -2.577) 7.002 1.933 ( -1.327 1.780 0.597) 2.299 2.474 ( 1.634 2.681 0.811) 3.243 2.800 ( 8.631 6.045 0.677) 10.559 3.722 ( 0.279 6.838 -0.102) 6.844 5.977 ( 2.713 5.205 -0.370) 5.881 6.014 ( 2.293 5.096 -0.712) 5.633 6.325 ( 0.815 0.475 -0.953) 1.341 6.841 ( 3.822 -0.570 0.836) 3.953 7.105 ( -2.255 -6.131 0.210) 6.536 8.003 ( -4.990 -1.487 -1.079) 5.318 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 2.362 4.647 0.388) 5.227 1.920 ( -0.226 -0.371 0.056) 0.438 1.954 ( 2.150 3.438 -0.336) 4.069 2.472 ( -1.053 -1.841 0.391) 2.156 3.038 ( 7.378 12.357 -0.016) 14.392 3.744 ( -0.703 -0.827 -0.072) 1.088 6.051 ( 2.266 4.294 0.106) 4.856 6.110 ( 2.082 4.127 0.055) 4.623 6.319 ( -0.572 -1.587 -0.775) 1.856 6.911 ( 1.938 3.579 0.108) 4.071 7.039 ( -0.868 -2.063 0.152) 2.243 7.917 ( -2.096 -3.314 -0.242) 3.928 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -0.989 5.721 0.746) 5.853 1.909 ( -0.611 0.035 -0.135) 0.626 1.989 ( 1.453 -1.874 -0.512) 2.426 2.436 ( -0.875 -1.631 0.327) 1.880 3.231 ( -2.133 15.789 -0.373) 15.936 3.708 ( 2.756 -8.018 0.397) 8.488 6.112 ( 0.557 0.894 0.359) 1.112 6.175 ( 1.161 4.660 0.825) 4.873 6.286 ( 0.594 -2.887 -1.473) 3.295 6.951 ( -2.830 6.359 1.321) 7.085 7.029 ( -0.194 0.144 -1.203) 1.227 7.875 ( 1.863 -4.526 0.005) 4.894 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.000 1.969 -2.991) 3.581 1.721 ( -0.000 3.779 -11.130) 11.754 1.942 ( 0.000 2.992 1.112) 3.192 2.146 ( 0.000 10.784 1.267) 10.858 2.644 ( 0.000 -0.602 4.358) 4.399 3.566 ( 0.000 17.215 1.903) 17.320 5.696 ( -0.000 6.975 -0.744) 7.015 6.035 ( -0.000 0.711 -4.735) 4.788 6.247 ( 0.000 1.370 0.629) 1.508 6.754 ( 0.000 -2.280 4.058) 4.655 7.261 ( -0.000 -11.420 -0.964) 11.460 8.224 ( -0.000 0.017 -2.939) 2.940 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.764 2.211 -1.303) 5.412 1.739 ( 2.179 2.839 -7.883) 8.658 1.972 ( -0.712 3.360 1.218) 3.644 2.297 ( 5.908 8.937 0.418) 10.721 2.645 ( 0.670 -2.547 4.009) 4.796 3.722 ( 0.059 13.369 0.440) 13.376 5.798 ( 4.813 6.064 -0.647) 7.769 6.027 ( -1.101 2.692 -3.837) 4.815 6.278 ( 1.323 1.892 0.196) 2.317 6.745 ( 1.174 -3.775 3.787) 5.474 7.153 ( -0.678 -8.808 -1.053) 8.897 8.185 ( -3.827 0.327 -2.232) 4.443 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.800 2.008 -0.486) 7.107 1.807 ( 4.167 2.749 -2.801) 5.724 1.987 ( -1.429 3.156 0.686) 3.532 2.468 ( 3.572 4.160 0.158) 5.486 2.683 ( 7.631 -0.328 2.283) 7.972 3.815 ( -1.743 8.332 -0.591) 8.533 5.951 ( 6.278 5.285 -0.685) 8.235 6.038 ( -0.350 4.312 -2.030) 4.779 6.316 ( 1.017 1.124 0.061) 1.517 6.751 ( 3.791 -4.161 1.982) 5.968 7.071 ( -0.632 -5.170 -0.220) 5.213 8.097 ( -6.315 0.370 -1.425) 6.484 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 6.366 1.820 -0.847) 6.675 1.886 ( 2.809 0.709 0.137) 2.901 1.995 ( -1.326 3.059 0.461) 3.366 2.477 ( -1.397 -1.688 0.033) 2.191 2.921 ( 15.006 5.007 0.783) 15.839 3.813 ( -4.867 3.114 -0.805) 5.834 6.066 ( 1.508 5.023 -0.614) 5.280 6.096 ( 3.221 2.836 -0.905) 4.386 6.323 ( -0.895 -0.423 0.829) 1.291 6.822 ( 8.016 -1.989 -0.222) 8.262 7.033 ( -0.246 -1.608 0.800) 1.813 7.983 ( -6.896 -0.112 -0.637) 6.926 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -0.000 2.025 -0.956) 2.239 1.724 ( -0.000 2.713 -4.887) 5.589 2.013 ( 0.000 3.071 0.970) 3.221 2.323 ( 0.000 6.874 0.419) 6.887 2.619 ( 0.000 -4.187 3.397) 5.392 3.840 ( -0.000 10.587 -0.577) 10.602 5.801 ( -0.000 4.319 -0.301) 4.329 6.060 ( -0.000 4.340 -3.381) 5.502 6.289 ( 0.000 2.243 0.151) 2.248 6.701 ( 0.000 -5.409 2.768) 6.076 7.082 ( -0.000 -6.105 -0.629) 6.137 8.217 ( -0.000 0.543 -1.887) 1.964 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 4.790 1.615 -0.364) 5.068 1.771 ( 2.688 3.629 -0.424) 4.536 2.035 ( -0.762 2.425 0.799) 2.665 2.431 ( 5.395 4.683 -0.180) 7.146 2.587 ( 1.485 -4.868 2.006) 5.470 3.912 ( -1.183 6.625 -1.402) 6.874 5.886 ( 5.474 3.403 -0.064) 6.446 6.093 ( -0.948 5.561 -1.528) 5.844 6.314 ( 0.712 1.507 -0.157) 1.674 6.660 ( 1.590 -6.256 0.384) 6.467 7.037 ( -0.101 -2.936 0.565) 2.992 8.186 ( -3.753 0.629 -1.420) 4.062 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 6.678 0.677 -0.842) 6.765 1.857 ( 2.667 2.765 1.746) 4.220 2.043 ( -1.131 1.972 1.131) 2.539 2.479 ( -1.031 -2.041 -0.936) 2.471 2.699 ( 13.881 0.529 1.044) 13.930 3.915 ( -3.488 2.725 -1.587) 4.702 6.022 ( 6.609 2.311 -0.565) 7.024 6.122 ( -1.320 4.344 -0.054) 4.540 6.336 ( 0.167 0.942 0.834) 1.269 6.661 ( 6.056 -4.611 -1.505) 7.759 7.024 ( 0.131 -0.581 1.322) 1.450 8.102 ( -6.457 0.653 -0.874) 6.549 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 1.543 0.582) 1.649 1.796 ( 0.000 5.290 3.015) 6.089 2.064 ( 0.000 1.665 1.182) 2.042 2.411 ( -0.000 2.155 -0.080) 2.156 2.532 ( -0.000 -5.441 -0.067) 5.441 3.965 ( -0.000 3.258 -2.116) 3.885 5.863 ( 0.000 2.039 0.712) 2.160 6.162 ( 0.000 6.789 0.515) 6.809 6.317 ( -0.000 0.523 -0.818) 0.971 6.580 ( -0.000 -6.534 -2.406) 6.963 7.024 ( 0.000 -0.674 1.577) 1.714 8.219 ( -0.000 0.498 -1.331) 1.421 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 3.849 0.728 0.395) 3.937 1.871 ( 0.942 4.878 4.087) 6.433 2.077 ( -0.625 1.309 2.286) 2.707 2.462 ( 0.509 -1.956 -2.096) 2.912 2.505 ( 7.539 -2.781 0.251) 8.039 3.961 ( -1.367 -0.371 -2.303) 2.703 5.929 ( 5.435 0.771 0.620) 5.524 6.199 ( -2.821 3.657 1.548) 4.871 6.334 ( 1.702 1.199 0.347) 2.111 6.537 ( 2.756 -3.915 -4.116) 6.314 7.030 ( -0.110 0.966 1.820) 2.064 8.190 ( -3.549 0.458 -1.146) 3.757 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 0.570 1.014) 1.164 1.927 ( 0.000 4.347 3.805) 5.777 2.107 ( 0.000 1.810 5.001) 5.319 2.404 ( -0.000 -2.845 -0.218) 2.854 2.426 ( -0.000 -3.620 -3.639) 5.133 3.942 ( -0.000 -4.275 -2.567) 4.987 5.885 ( 0.000 -0.579 1.148) 1.286 6.272 ( 0.000 -0.074 3.211) 3.212 6.296 ( -0.000 -1.814 -1.235) 2.194 6.492 ( -0.000 3.174 -4.319) 5.360 7.054 ( 0.000 2.460 1.726) 3.005 8.220 ( -0.000 0.381 -1.392) 1.443 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 -0.000 19.410) 19.410 0.686 ( 0.000 -0.000 19.410) 19.410 1.365 ( 0.000 -0.000 38.461) 38.461 1.557 ( -0.000 0.000 -7.241) 7.241 1.557 ( -0.000 0.000 -7.241) 7.241 3.286 ( -0.000 0.000 -18.838) 18.838 5.140 ( 0.000 -0.000 1.445) 1.445 5.140 ( 0.000 -0.000 1.445) 1.445 6.395 ( -0.000 0.000 -0.781) 0.781 6.395 ( -0.000 0.000 -0.781) 0.781 8.286 ( 0.000 -0.000 2.353) 2.353 8.521 ( -0.000 0.000 -0.954) 0.954 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 2.193 1.266 17.807) 17.986 0.930 ( 7.449 4.300 19.907) 21.685 1.566 ( 4.415 2.549 -6.663) 8.390 1.596 ( 3.373 1.948 -6.387) 7.481 1.602 ( 12.643 7.299 27.026) 30.717 3.029 ( -10.350 -5.975 -11.915) 16.876 5.170 ( 2.327 1.344 1.323) 2.996 5.732 ( 37.422 21.606 -16.142) 46.128 6.356 ( -3.096 -1.788 -0.971) 3.705 6.377 ( -1.378 -0.795 -0.764) 1.765 8.254 ( -4.319 -2.494 3.258) 5.957 8.418 ( -7.103 -4.101 -0.622) 8.226 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 7.451 4.302 12.459) 15.142 1.086 ( 2.393 1.381 19.209) 19.407 1.675 ( 5.253 3.033 -5.076) 7.910 1.681 ( 7.209 4.162 -6.823) 10.763 2.042 ( 19.744 11.399 13.654) 26.574 2.874 ( -0.937 -0.541 -9.552) 9.613 5.250 ( 4.486 2.590 1.078) 5.291 6.231 ( -3.274 -1.890 -1.812) 4.193 6.334 ( -2.114 -1.220 -0.719) 2.545 6.414 ( 22.692 13.101 -14.413) 29.905 8.074 ( -12.215 -7.053 5.190) 15.030 8.288 ( -4.144 -2.393 -2.544) 5.419 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 8.022 4.631 7.213) 11.740 1.190 ( 3.817 2.204 12.362) 13.125 1.804 ( 7.429 4.289 -3.281) 9.184 1.818 ( 5.926 3.421 -3.753) 7.804 2.470 ( 14.781 8.534 2.046) 17.190 2.945 ( 9.456 5.459 -3.128) 11.358 5.374 ( 6.328 3.654 0.829) 7.354 6.105 ( -5.934 -3.426 -0.541) 6.873 6.287 ( -1.843 -1.064 -0.642) 2.223 6.785 ( 12.869 7.430 -10.426) 18.152 7.787 ( -14.291 -8.251 4.099) 17.003 8.201 ( -3.109 -1.795 -1.526) 3.901 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 6.238 3.602 3.239) 7.898 1.338 ( 6.870 3.966 7.000) 10.580 1.916 ( 3.729 2.153 -2.386) 4.923 1.981 ( 8.825 5.095 -1.536) 10.305 2.683 ( 5.420 3.129 -2.539) 6.753 3.245 ( 15.645 9.033 1.106) 18.099 5.528 ( 7.168 4.138 0.571) 8.296 5.992 ( -3.689 -2.130 0.110) 4.261 6.256 ( -0.669 -0.386 -0.465) 0.901 6.938 ( 3.716 2.146 -8.949) 9.925 7.478 ( -14.021 -8.095 3.406) 16.545 8.152 ( -0.961 -0.555 0.535) 1.232 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 4.300 2.483 0.845) 5.037 1.520 ( 7.880 4.550 3.069) 9.603 1.979 ( 2.681 1.548 -1.658) 3.512 2.171 ( 8.177 4.721 -0.483) 9.454 2.727 ( -0.681 -0.393 -1.800) 1.964 3.576 ( 13.056 7.538 1.275) 15.130 5.683 ( 6.375 3.680 0.146) 7.362 5.957 ( 0.646 0.373 0.728) 1.043 6.257 ( 0.803 0.464 -0.054) 0.929 6.913 ( -3.782 -2.183 -7.898) 9.025 7.212 ( -9.803 -5.660 3.149) 11.749 8.157 ( 0.781 0.451 1.765) 1.982 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 2.790 1.611 -0.367) 3.243 1.692 ( 7.099 4.098 -1.104) 8.271 2.030 ( 2.331 1.346 -1.081) 2.900 2.327 ( 5.581 3.222 -0.018) 6.444 2.655 ( -4.991 -2.882 -0.801) 5.819 3.818 ( 8.188 4.727 1.870) 9.638 5.803 ( 4.303 2.484 -0.480) 4.992 6.025 ( 5.083 2.935 0.608) 5.900 6.285 ( 1.392 0.803 0.578) 1.708 6.746 ( -8.724 -5.037 -2.411) 10.358 7.077 ( -3.319 -1.916 -0.058) 3.833 8.184 ( 1.039 0.600 1.787) 2.152 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 1.564 0.903 -0.905) 2.020 1.828 ( 5.913 3.414 -4.482) 8.167 2.076 ( 2.018 1.165 -1.711) 2.891 2.410 ( 1.790 1.034 0.170) 2.074 2.527 ( -5.918 -3.417 1.121) 6.925 3.946 ( 2.613 1.509 2.515) 3.928 5.870 ( 1.980 1.143 -1.011) 2.500 6.170 ( 7.354 4.246 -1.311) 8.592 6.308 ( 0.250 0.144 1.108) 1.145 6.558 ( -7.451 -4.302 2.662) 9.006 7.038 ( -0.241 -0.139 -1.701) 1.723 8.207 ( 0.554 0.320 1.459) 1.593 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 9.444 16.718) 19.201 0.981 ( 0.000 12.048 15.832) 19.895 1.479 ( -0.000 -0.892 -9.717) 9.758 1.611 ( 0.000 6.008 7.063) 9.273 1.679 ( 0.000 11.814 17.517) 21.129 2.993 ( -0.000 -11.397 -13.804) 17.900 5.171 ( 0.000 2.629 1.289) 2.928 5.683 ( -0.000 40.071 -12.919) 42.102 6.359 ( -0.000 -3.074 -1.114) 3.269 6.373 ( -0.000 -1.722 -0.684) 1.853 8.259 ( 0.000 -5.437 3.184) 6.301 8.425 ( -0.000 -6.808 -1.160) 6.906 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -1.687 13.008 12.360) 18.022 1.165 ( 0.744 8.033 17.485) 19.256 1.509 ( 7.286 0.763 -9.693) 12.150 1.704 ( 1.801 8.683 -4.116) 9.777 1.952 ( 10.681 14.449 17.865) 25.338 2.848 ( -1.531 -3.925 -11.629) 12.369 5.228 ( 2.413 4.054 1.097) 4.844 6.158 ( 14.797 22.974 -10.927) 29.431 6.301 ( -0.712 -0.442 -3.516) 3.614 6.345 ( -0.963 -1.959 -0.717) 2.297 8.148 ( -5.457 -11.191 4.645) 13.289 8.327 ( -3.873 -3.025 -2.830) 5.671 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 1.354 12.627 7.581) 14.790 1.250 ( -1.525 5.179 13.411) 14.457 1.664 ( 9.734 3.646 -4.192) 11.208 1.812 ( 2.747 8.003 -4.428) 9.550 2.339 ( 13.400 12.530 5.782) 19.235 2.851 ( 5.808 4.081 -6.026) 9.311 5.334 ( 4.295 5.657 0.918) 7.162 6.156 ( -4.900 -4.615 -0.462) 6.747 6.305 ( -1.539 -1.310 -0.730) 2.149 6.615 ( 14.212 12.811 -9.747) 21.473 7.911 ( -10.169 -11.836 3.909) 16.086 8.232 ( -3.685 -2.184 -2.344) 4.883 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 1.580 10.583 4.200) 11.495 1.336 ( 2.300 6.019 8.859) 10.954 1.841 ( 6.766 3.457 -1.139) 7.683 1.932 ( 4.829 8.105 -3.267) 9.984 2.605 ( 7.536 5.416 -2.202) 9.538 3.092 ( 13.797 10.548 0.110) 17.368 5.481 ( 5.457 7.003 0.810) 8.915 6.033 ( -4.350 -3.629 0.151) 5.667 6.271 ( -1.257 -0.035 -0.731) 1.455 6.849 ( 7.156 4.164 -7.711) 11.314 7.623 ( -12.259 -10.289 2.800) 16.248 8.159 ( -1.722 -2.287 -0.311) 2.880 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.780 7.642 2.699) 8.142 1.488 ( 4.920 7.492 5.283) 10.405 1.935 ( 3.386 1.251 -1.478) 3.900 2.118 ( 6.579 9.619 -0.995) 11.696 2.710 ( 2.343 1.217 -2.504) 3.639 3.433 ( 13.808 9.623 0.604) 16.841 5.645 ( 5.168 7.555 0.657) 9.177 5.961 ( -1.242 -1.299 1.023) 2.068 6.262 ( -0.292 1.335 -0.587) 1.487 6.905 ( 0.383 -0.505 -7.524) 7.551 7.338 ( -11.538 -7.874 2.640) 14.216 8.134 ( 1.073 -2.256 1.458) 2.893 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.248 5.928 1.138) 6.042 1.650 ( 4.538 6.947 2.081) 8.555 1.992 ( 3.003 0.679 -1.208) 3.307 2.302 ( 4.593 8.813 -0.078) 9.938 2.697 ( -2.817 -1.274 -2.006) 3.685 3.716 ( 10.454 6.045 1.066) 12.123 5.790 ( 3.237 7.153 0.292) 7.856 5.980 ( 3.031 1.320 1.448) 3.609 6.282 ( 0.672 1.998 -0.189) 2.116 6.822 ( -5.818 -2.916 -5.084) 8.258 7.131 ( -6.449 -4.152 1.543) 7.823 8.149 ( 2.549 -2.426 1.857) 3.979 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.502 4.784 0.149) 4.812 1.777 ( 3.700 5.248 -1.848) 6.682 2.043 ( 2.593 0.579 -1.001) 2.839 2.428 ( 1.311 6.575 0.400) 6.716 2.600 ( -5.863 -1.365 -1.023) 6.106 3.898 ( 5.924 2.183 1.920) 6.599 5.887 ( 0.603 6.304 -0.225) 6.337 6.084 ( 6.200 2.584 0.516) 6.737 6.312 ( 0.631 1.552 0.299) 1.702 6.661 ( -8.066 -2.735 0.034) 8.517 7.044 ( -1.755 -1.171 -0.958) 2.317 8.173 ( 2.569 -2.688 1.481) 4.002 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 13.079 10.291) 16.642 1.295 ( 0.000 10.675 11.755) 15.878 1.427 ( -0.000 3.199 -11.012) 11.467 1.760 ( -0.000 8.007 -1.922) 8.235 2.067 ( 0.000 17.276 14.502) 22.556 2.791 ( -0.000 -1.943 -10.486) 10.664 5.255 ( 0.000 5.403 0.903) 5.478 6.228 ( -0.000 8.402 -2.034) 8.645 6.310 ( -0.000 13.068 -9.098) 15.923 6.326 ( -0.000 -2.675 -0.454) 2.713 8.080 ( 0.000 -14.187 4.197) 14.795 8.324 ( -0.000 -2.593 -3.637) 4.467 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -2.069 12.716 4.442) 13.627 1.359 ( -1.205 3.712 3.476) 5.226 1.566 ( 7.438 10.290 0.144) 12.697 1.837 ( 1.501 6.628 -4.187) 7.982 2.323 ( 6.396 15.248 6.305) 17.697 2.803 ( 3.263 5.806 -4.625) 8.109 5.339 ( 2.654 6.826 0.703) 7.357 6.175 ( -3.101 -5.152 -0.869) 6.076 6.300 ( -0.096 -2.185 -0.567) 2.259 6.545 ( 7.594 15.869 -6.396) 18.719 7.912 ( -4.319 -14.756 3.422) 15.751 8.263 ( -3.083 -2.001 -3.699) 5.215 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.962 11.020 0.139) 11.063 1.401 ( -0.473 5.599 4.641) 7.287 1.787 ( 5.973 8.201 2.928) 10.560 1.926 ( 3.982 7.185 -4.909) 9.570 2.546 ( 5.832 7.511 -1.180) 9.582 3.008 ( 9.673 13.437 1.016) 16.587 5.476 ( 4.556 8.369 0.670) 9.553 6.064 ( -3.890 -4.335 -0.619) 5.857 6.280 ( -0.235 -0.654 -0.797) 1.058 6.762 ( 6.696 6.247 -4.103) 10.035 7.684 ( -7.460 -13.091 2.307) 15.243 8.175 ( -3.496 -2.277 -2.289) 4.759 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.928 8.034 2.684) 8.521 1.505 ( 4.249 8.837 2.178) 10.045 1.897 ( 2.333 1.978 0.180) 3.064 2.113 ( 6.735 11.989 -1.277) 13.811 2.670 ( 3.697 3.050 -1.969) 5.182 3.325 ( 11.480 12.502 0.705) 16.988 5.646 ( 5.067 9.411 0.740) 10.714 5.977 ( -2.300 -2.203 0.294) 3.199 6.278 ( -0.036 1.147 -0.912) 1.466 6.861 ( 2.695 0.804 -4.225) 5.076 7.436 ( -9.165 -10.181 1.621) 13.794 8.105 ( -1.142 -3.119 -0.150) 3.325 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -1.018 7.320 1.861) 7.622 1.669 ( 3.751 8.665 2.628) 9.801 1.944 ( 2.586 0.283 -0.901) 2.754 2.325 ( 4.801 11.180 0.135) 12.168 2.716 ( -0.101 1.557 -2.035) 2.564 3.607 ( 10.154 7.733 0.342) 12.768 5.816 ( 3.785 9.242 0.780) 10.018 5.959 ( 1.068 0.506 1.235) 1.709 6.295 ( 0.306 2.185 -0.840) 2.360 6.854 ( -1.871 -0.718 -4.391) 4.827 7.210 ( -8.052 -6.550 1.473) 10.483 8.079 ( 1.870 -4.148 1.152) 4.694 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -1.695 6.839 1.229) 7.152 1.792 ( 1.511 6.461 0.687) 6.671 1.993 ( 3.372 0.155 -0.796) 3.468 2.466 ( 1.702 5.308 0.510) 5.598 2.701 ( -4.153 5.635 -1.994) 7.279 3.808 ( 7.671 2.521 1.002) 8.137 5.945 ( 1.545 7.911 0.763) 8.096 6.024 ( 4.041 2.509 1.259) 4.920 6.319 ( 0.433 1.658 -0.674) 1.841 6.768 ( -6.424 0.059 -1.919) 6.705 7.070 ( -3.641 -2.633 0.127) 4.495 8.086 ( 3.532 -4.917 1.253) 6.183 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.000 1.148 -6.456) 6.557 1.407 ( 0.000 11.340 1.766) 11.477 1.640 ( 0.000 14.090 4.216) 14.708 1.864 ( -0.000 4.158 -4.634) 6.226 2.430 ( 0.000 12.965 3.048) 13.319 2.854 ( 0.000 12.636 0.801) 12.661 5.386 ( 0.000 7.659 0.275) 7.664 6.148 ( -0.000 -5.202 -2.090) 5.606 6.274 ( -0.000 -2.372 -0.051) 2.372 6.616 ( -0.000 12.508 -2.110) 12.684 7.805 ( 0.000 -15.714 2.471) 15.907 8.262 ( -0.000 -1.587 -4.315) 4.598 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 2.527 2.826 -4.448) 5.844 1.499 ( -0.820 9.784 -2.439) 10.117 1.820 ( 3.165 11.310 4.503) 12.579 1.905 ( 3.277 4.671 -5.139) 7.679 2.555 ( 2.039 7.592 0.722) 7.895 3.049 ( 4.210 17.802 3.299) 18.588 5.492 ( 3.228 8.550 0.059) 9.140 6.072 ( -2.376 -4.212 -2.294) 5.352 6.262 ( 0.817 -1.270 -0.216) 1.526 6.735 ( 3.018 5.983 0.476) 6.718 7.637 ( -2.818 -14.900 1.409) 15.229 8.209 ( -3.113 -1.309 -3.771) 5.062 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 5.318 3.816 0.136) 6.547 1.573 ( 0.229 9.671 -4.042) 10.484 1.898 ( 0.507 2.155 0.607) 2.295 2.104 ( 8.042 12.327 -0.601) 14.731 2.648 ( 2.428 3.762 0.494) 4.504 3.316 ( 6.313 16.081 1.721) 17.361 5.652 ( 5.301 9.361 0.096) 10.758 5.993 ( -2.304 -2.166 -1.492) 3.497 6.274 ( 1.128 0.436 -0.552) 1.329 6.818 ( 2.583 1.058 0.614) 2.859 7.443 ( -4.575 -12.576 0.657) 13.398 8.123 ( -4.046 -1.670 -2.205) 4.901 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 2.632 4.473 1.358) 5.365 1.693 ( 3.886 9.539 -1.421) 10.398 1.919 ( 0.532 0.550 0.037) 0.766 2.342 ( 6.167 10.699 0.141) 12.350 2.717 ( 2.371 2.984 -0.139) 3.814 3.554 ( 6.186 10.529 0.300) 12.216 5.833 ( 5.103 9.152 0.255) 10.481 5.959 ( -0.239 0.524 -0.247) 0.626 6.301 ( 0.964 1.551 -0.621) 1.929 6.850 ( 0.920 -0.172 -0.578) 1.100 7.255 ( -5.402 -9.013 0.441) 10.517 8.043 ( -2.212 -2.917 -0.453) 3.689 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.279 5.847 0.665) 5.891 1.836 ( 2.112 7.292 0.979) 7.654 1.937 ( 2.378 -0.441 -0.552) 2.481 2.477 ( 1.580 2.880 0.101) 3.286 2.806 ( 1.389 9.875 -0.850) 10.008 3.720 ( 5.518 3.566 0.255) 6.575 5.972 ( 2.690 4.885 0.655) 5.615 6.009 ( 2.947 5.240 0.533) 6.035 6.324 ( 0.293 0.888 -0.529) 1.074 6.849 ( -1.840 2.201 -1.182) 3.103 7.105 ( -4.268 -4.752 0.264) 6.393 7.996 ( 0.912 -4.672 0.552) 4.792 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.000 2.354 -5.378) 5.871 1.575 ( -0.000 7.711 -8.304) 11.332 1.895 ( -0.000 2.317 -1.901) 2.998 1.921 ( 0.000 12.830 2.703) 13.111 2.610 ( 0.000 5.457 2.576) 6.034 3.211 ( 0.000 19.713 3.568) 20.033 5.543 ( -0.000 8.354 -0.431) 8.365 6.047 ( -0.000 -3.210 -3.672) 4.877 6.243 ( 0.000 -0.754 0.432) 0.869 6.764 ( 0.000 3.105 3.675) 4.811 7.516 ( 0.000 -14.861 0.205) 14.862 8.218 ( -0.000 -0.522 -3.967) 4.001 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 4.688 2.970 -2.755) 6.196 1.622 ( 1.126 6.497 -9.074) 11.216 1.918 ( -0.064 2.608 0.520) 2.660 2.098 ( 5.844 11.725 1.069) 13.144 2.661 ( 0.505 2.376 3.084) 3.925 3.421 ( 1.918 17.740 1.963) 17.951 5.656 ( 4.013 8.259 -0.555) 9.199 6.001 ( -1.362 -1.217 -3.387) 3.848 6.254 ( 1.313 0.481 0.255) 1.421 6.800 ( 1.046 -0.230 4.491) 4.617 7.365 ( -1.457 -13.210 -0.636) 13.306 8.175 ( -3.404 -0.169 -3.149) 4.640 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 6.649 2.909 -0.373) 7.267 1.704 ( 3.702 6.804 -5.361) 9.419 1.937 ( -0.800 2.164 0.860) 2.462 2.325 ( 7.543 10.000 0.073) 12.526 2.697 ( 2.055 0.497 2.364) 3.171 3.607 ( 1.753 13.004 0.348) 13.126 5.821 ( 6.069 7.977 -0.535) 10.038 5.973 ( -0.758 1.337 -2.108) 2.609 6.291 ( 1.669 1.317 0.105) 2.129 6.821 ( 1.598 -1.924 3.345) 4.177 7.219 ( -1.987 -10.193 -0.729) 10.410 8.091 ( -5.146 -0.415 -1.829) 5.477 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 2.913 -2.674) 3.955 1.632 ( -0.000 4.799 -9.648) 10.776 1.953 ( 0.000 3.387 1.428) 3.675 2.157 ( 0.000 10.322 1.156) 10.386 2.679 ( 0.000 -0.297 3.790) 3.801 3.579 ( 0.000 16.279 0.947) 16.307 5.690 ( -0.000 6.981 -0.633) 7.009 5.998 ( -0.000 0.641 -3.903) 3.956 6.252 ( 0.000 1.332 0.505) 1.424 6.795 ( 0.000 -2.501 5.783) 6.300 7.251 ( -0.000 -11.698 -1.539) 11.799 8.199 ( -0.000 0.531 -2.972) 3.020 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 5.166 2.683 -1.190) 5.942 1.682 ( 3.037 5.072 -5.390) 8.000 1.982 ( -0.810 3.148 1.200) 3.465 2.301 ( 5.616 8.675 0.308) 10.339 2.675 ( 0.409 -2.732 3.126) 4.172 3.722 ( -0.015 12.646 -0.329) 12.651 5.793 ( 4.762 6.174 -0.504) 7.813 5.998 ( -0.655 2.985 -2.864) 4.189 6.280 ( 1.219 1.786 0.255) 2.177 6.780 ( 0.789 -4.800 4.599) 6.694 7.143 ( -0.505 -8.478 -1.284) 8.589 8.167 ( -3.640 0.747 -2.210) 4.323 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.000 2.680 -0.322) 2.699 1.695 ( -0.000 5.638 -1.902) 5.950 2.022 ( 0.000 2.841 1.028) 3.021 2.325 ( 0.000 6.636 0.237) 6.641 2.642 ( 0.000 -4.984 2.196) 5.446 3.832 ( -0.000 9.955 -1.318) 10.042 5.800 ( 0.000 4.632 0.096) 4.633 6.036 ( -0.000 5.185 -2.078) 5.586 6.288 ( -0.000 1.937 -0.231) 1.951 6.724 ( 0.000 -7.531 2.682) 7.994 7.078 ( -0.000 -5.105 -0.299) 5.114 8.201 ( -0.000 0.936 -1.982) 2.192 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 -0.000 18.260) 18.260 0.845 ( 0.000 -0.000 18.260) 18.260 1.488 ( -0.000 0.000 -9.185) 9.185 1.488 ( -0.000 0.000 -9.185) 9.185 1.679 ( 0.000 -0.000 36.130) 36.130 3.113 ( -0.000 0.000 -22.119) 22.119 5.151 ( 0.000 -0.000 1.254) 1.254 5.151 ( 0.000 -0.000 1.254) 1.254 6.389 ( -0.000 0.000 -0.677) 0.677 6.389 ( -0.000 0.000 -0.677) 0.677 8.305 ( 0.000 -0.000 2.237) 2.237 8.513 ( -0.000 0.000 -1.022) 1.022 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.950 0.549 17.856) 17.890 1.090 ( 8.864 5.118 17.987) 20.695 1.480 ( 4.145 2.393 -11.512) 12.467 1.534 ( 4.038 2.331 -8.291) 9.513 1.848 ( 7.329 4.231 28.847) 30.062 2.908 ( -8.007 -4.623 -16.575) 18.979 5.181 ( 2.274 1.313 1.039) 2.824 5.628 ( 33.223 19.181 -9.109) 39.429 6.349 ( -3.255 -1.879 -0.741) 3.831 6.371 ( -1.379 -0.796 -0.636) 1.714 8.280 ( -3.323 -1.919 2.946) 4.837 8.410 ( -7.702 -4.447 -1.219) 8.976 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 5.272 3.044 14.095) 15.353 1.241 ( 0.686 0.396 16.824) 16.842 1.614 ( 9.496 5.483 -8.145) 13.660 1.625 ( 6.134 3.541 -6.740) 9.777 2.161 ( 14.276 8.242 13.873) 21.545 2.785 ( 1.185 0.684 -11.352) 11.434 5.258 ( 4.434 2.560 0.799) 5.181 6.216 ( 2.233 1.289 -1.877) 3.190 6.315 ( 18.166 10.488 -9.015) 22.831 6.329 ( -2.114 -1.220 -0.600) 2.513 8.113 ( -12.483 -7.207 3.889) 14.929 8.269 ( -3.848 -2.222 -1.970) 4.860 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 5.942 3.431 9.081) 11.382 1.296 ( 1.929 1.114 11.998) 12.203 1.771 ( 8.402 4.851 -4.430) 10.666 1.789 ( 6.776 3.912 -2.708) 8.280 2.482 ( 11.286 6.516 0.725) 13.052 2.916 ( 12.356 7.134 -3.567) 14.706 5.380 ( 6.291 3.632 0.676) 7.295 6.105 ( -5.788 -3.341 0.535) 6.704 6.281 ( -1.828 -1.055 -0.590) 2.191 6.705 ( 13.452 7.766 -8.383) 17.651 7.814 ( -14.490 -8.366 2.351) 16.896 8.195 ( -2.538 -1.466 0.226) 2.940 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.756 2.746 4.721) 7.242 1.410 ( 5.266 3.040 9.732) 11.476 1.897 ( 3.877 2.239 -1.781) 4.818 1.965 ( 9.527 5.500 -2.207) 11.220 2.660 ( 5.345 3.086 -2.913) 6.825 3.247 ( 16.147 9.322 -0.607) 18.655 5.534 ( 7.085 4.091 0.627) 8.205 6.000 ( -3.529 -2.038 1.607) 4.380 6.251 ( -0.584 -0.337 -0.546) 0.868 6.866 ( 3.667 2.117 -7.978) 9.032 7.501 ( -13.813 -7.975 2.091) 16.087 8.164 ( -0.548 -0.316 2.097) 2.190 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 3.436 1.984 1.916) 4.406 1.562 ( 5.873 3.391 6.789) 9.596 1.965 ( 2.896 1.672 -1.586) 3.701 2.165 ( 8.534 4.927 -0.878) 9.893 2.707 ( -0.328 -0.190 -2.877) 2.902 3.582 ( 13.451 7.766 0.156) 15.532 5.686 ( 6.164 3.559 0.422) 7.130 5.971 ( 0.583 0.337 2.448) 2.539 6.255 ( 1.017 0.587 -0.302) 1.213 6.850 ( -2.793 -1.613 -7.081) 7.781 7.235 ( -10.130 -5.849 2.271) 11.916 8.175 ( 0.732 0.423 2.571) 2.706 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 7.362 17.268) 18.772 1.108 ( 0.000 10.723 14.056) 17.679 1.391 ( -0.000 -1.317 -11.046) 11.124 1.561 ( -0.000 9.490 -9.301) 13.288 1.917 ( 0.000 5.141 28.937) 29.390 2.859 ( -0.000 -8.548 -17.585) 19.552 5.181 ( 0.000 2.576 0.997) 2.763 5.601 ( -0.000 36.211 -6.950) 36.872 6.350 ( -0.000 -3.442 -0.837) 3.542 6.368 ( -0.000 -1.691 -0.493) 1.761 8.284 ( 0.000 -4.344 2.832) 5.186 8.413 ( -0.000 -7.825 -1.588) 7.984 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.289 9.662 13.559) 16.806 1.300 ( 1.134 5.110 13.607) 14.579 1.425 ( 9.659 2.806 -9.277) 13.683 1.646 ( 1.635 10.654 -8.824) 13.930 2.111 ( 6.970 8.984 18.382) 21.615 2.742 ( -0.286 -1.584 -13.010) 13.110 5.236 ( 2.375 4.021 0.740) 4.728 6.081 ( 16.500 27.051 -7.098) 32.471 6.282 ( -2.611 -3.989 -1.439) 4.980 6.340 ( -0.997 -1.939 -0.443) 2.224 8.184 ( -5.418 -11.316 4.023) 13.176 8.302 ( -3.683 -3.324 -2.987) 5.791 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.856 9.007 8.907) 12.697 1.341 ( -0.512 2.491 7.151) 7.589 1.642 ( 9.885 6.066 -0.418) 11.605 1.767 ( 3.616 8.638 -5.707) 10.966 2.383 ( 9.532 8.775 4.077) 13.582 2.802 ( 7.985 7.292 -5.250) 12.021 5.341 ( 4.290 5.675 0.581) 7.138 6.156 ( -4.709 -4.776 0.294) 6.713 6.299 ( -1.530 -1.360 -0.565) 2.123 6.547 ( 14.152 14.181 -6.337) 21.013 7.937 ( -10.527 -11.985 2.112) 16.090 8.218 ( -2.763 -2.475 -0.854) 3.806 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.438 8.221 4.933) 9.695 1.411 ( 2.650 4.277 8.249) 9.662 1.841 ( 5.645 4.221 1.169) 7.145 1.900 ( 6.098 8.710 -4.316) 11.475 2.586 ( 6.731 4.907 -2.298) 8.641 3.088 ( 14.186 11.610 -1.181) 18.369 5.487 ( 5.457 7.054 0.602) 8.939 6.039 ( -3.935 -3.768 1.246) 5.589 6.266 ( -1.228 -0.115 -0.560) 1.355 6.792 ( 6.423 4.988 -5.907) 10.051 7.640 ( -12.222 -10.300 1.251) 16.032 8.163 ( -0.783 -2.562 1.370) 3.009 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.416 6.931 2.522) 7.388 1.547 ( 4.377 5.506 8.359) 10.925 1.925 ( 2.973 1.419 -1.056) 3.460 2.108 ( 7.038 10.235 -1.257) 12.485 2.687 ( 2.319 1.465 -2.947) 4.026 3.433 ( 14.028 9.967 -0.745) 17.224 5.650 ( 5.075 7.603 0.658) 9.165 5.976 ( -0.905 -1.503 2.430) 2.997 6.258 ( -0.170 1.277 -0.508) 1.385 6.846 ( -0.071 0.237 -6.276) 6.281 7.356 ( -11.198 -7.919 1.550) 13.803 8.151 ( 1.457 -2.603 2.509) 3.898 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 9.221 11.393) 14.657 1.319 ( -0.000 0.770 -11.833) 11.858 1.399 ( 0.000 12.138 10.044) 15.755 1.709 ( -0.000 10.013 -9.065) 13.507 2.199 ( 0.000 10.868 15.020) 18.540 2.704 ( -0.000 1.953 -9.567) 9.764 5.261 ( 0.000 5.272 0.544) 5.300 6.209 ( -0.000 24.970 -2.433) 25.088 6.258 ( -0.000 -2.260 -3.338) 4.031 6.323 ( -0.000 -2.601 -0.197) 2.608 8.112 ( 0.000 -14.585 3.397) 14.975 8.294 ( -0.000 -2.944 -3.474) 4.553 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -1.290 6.836 0.265) 6.961 1.358 ( 1.817 3.755 -1.202) 4.341 1.600 ( 6.082 11.478 6.391) 14.477 1.785 ( 1.682 7.618 -7.341) 10.712 2.375 ( 4.083 10.475 5.176) 12.377 2.772 ( 4.006 10.383 -2.334) 11.371 5.343 ( 2.717 6.705 0.298) 7.241 6.168 ( -2.777 -5.766 -0.888) 6.461 6.296 ( -0.272 -2.102 -0.267) 2.136 6.509 ( 7.206 17.868 -2.071) 19.378 7.935 ( -4.490 -15.180 2.095) 15.968 8.236 ( -2.492 -2.382 -2.764) 4.419 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.530 8.052 0.248) 8.444 1.425 ( 1.627 4.392 1.284) 4.856 1.824 ( 4.533 7.996 5.633) 10.780 1.877 ( 5.059 8.356 -6.239) 11.591 2.540 ( 4.643 6.994 -0.332) 8.401 3.014 ( 9.270 14.919 0.334) 17.567 5.479 ( 4.692 8.296 0.233) 9.534 6.061 ( -3.270 -4.774 -0.194) 5.790 6.276 ( -0.342 -0.696 -0.310) 0.835 6.738 ( 5.497 7.652 -1.416) 9.528 7.698 ( -7.606 -13.292 0.824) 15.336 8.162 ( -2.369 -2.751 -0.834) 3.725 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.225 8.389 0.241) 8.395 1.538 ( 6.003 5.529 4.449) 9.295 1.900 ( 1.539 1.608 0.186) 2.234 2.104 ( 7.120 12.982 -0.677) 14.822 2.656 ( 3.092 3.589 -1.369) 4.931 3.325 ( 11.082 12.901 -0.549) 17.017 5.651 ( 5.221 9.368 0.351) 10.731 5.982 ( -1.580 -2.618 1.037) 3.228 6.273 ( -0.081 1.072 -0.254) 1.104 6.832 ( 1.268 1.930 -2.555) 3.444 7.444 ( -8.961 -10.276 0.430) 13.641 8.109 ( -0.169 -3.677 1.131) 3.850 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 2.550 -9.234) 9.580 1.413 ( -0.000 6.907 -1.043) 6.985 1.683 ( 0.000 12.655 5.610) 13.843 1.815 ( -0.000 5.617 -5.802) 8.076 2.459 ( 0.000 10.184 3.299) 10.705 2.865 ( 0.000 15.871 2.006) 15.998 5.387 ( -0.000 7.458 -0.072) 7.459 6.130 ( -0.000 -5.869 -2.143) 6.248 6.274 ( 0.000 -2.245 0.211) 2.255 6.615 ( 0.000 14.291 1.895) 14.416 7.822 ( 0.000 -16.318 1.300) 16.370 8.229 ( -0.000 -1.847 -3.529) 3.983 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 4.381 3.886 -5.368) 7.944 1.468 ( 0.473 6.472 -5.144) 8.281 1.858 ( 1.494 5.590 1.966) 6.111 1.866 ( 4.744 10.859 -1.220) 11.912 2.567 ( 1.319 7.763 2.022) 8.129 3.073 ( 3.634 18.287 2.324) 18.789 5.491 ( 3.341 8.367 -0.299) 9.015 6.054 ( -1.789 -4.818 -2.034) 5.528 6.262 ( 0.578 -1.183 0.215) 1.334 6.752 ( 2.146 7.271 3.427) 8.320 7.644 ( -2.799 -15.444 0.231) 15.697 8.181 ( -2.530 -1.495 -2.828) 4.078 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.000 3.797 -5.490) 6.675 1.495 ( -0.000 5.852 -10.242) 11.796 1.888 ( 0.000 3.914 0.282) 3.924 1.944 ( 0.000 11.915 2.646) 12.205 2.635 ( 0.000 5.961 3.092) 6.716 3.235 ( 0.000 19.198 2.198) 19.323 5.539 ( -0.000 8.208 -0.579) 8.228 6.019 ( -0.000 -3.724 -2.921) 4.732 6.247 ( 0.000 -0.668 0.535) 0.856 6.806 ( 0.000 3.857 6.166) 7.273 7.513 ( -0.000 -15.504 -0.826) 15.526 8.187 ( -0.000 -0.430 -3.297) 3.325 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 -0.000 16.208) 16.208 0.991 ( 0.000 -0.000 16.208) 16.208 1.404 ( -0.000 0.000 -10.595) 10.595 1.404 ( -0.000 0.000 -10.595) 10.595 1.967 ( 0.000 -0.000 31.557) 31.557 2.920 ( -0.000 0.000 -23.155) 23.155 5.160 ( 0.000 -0.000 0.849) 0.849 5.160 ( 0.000 -0.000 0.849) 0.849 6.384 ( -0.000 0.000 -0.458) 0.458 6.384 ( -0.000 0.000 -0.458) 0.458 8.322 ( 0.000 -0.000 1.664) 1.664 8.505 ( -0.000 0.000 -0.841) 0.841 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.472 0.273 16.894) 16.903 1.231 ( 10.564 6.099 15.270) 19.544 1.376 ( 3.024 1.746 -12.860) 13.326 1.457 ( 4.679 2.701 -10.016) 11.380 2.076 ( 3.231 1.865 24.081) 24.368 2.760 ( -5.441 -3.141 -17.558) 18.649 5.187 ( 2.232 1.288 0.576) 2.641 5.573 ( 30.309 17.499 -4.320) 35.263 6.344 ( -3.323 -1.919 -0.395) 3.858 6.367 ( -1.390 -0.802 -0.399) 1.654 8.302 ( -2.316 -1.337 2.092) 3.395 8.399 ( -8.478 -4.895 -1.142) 9.856 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 3.595 2.076 14.497) 15.080 1.344 ( -0.175 -0.101 5.090) 5.094 1.561 ( 7.174 4.142 -8.340) 11.755 1.569 ( 12.053 6.959 -0.060) 13.918 2.263 ( 8.950 5.167 9.235) 13.860 2.692 ( 3.897 2.250 -9.508) 10.520 5.263 ( 4.431 2.558 0.385) 5.131 6.200 ( 14.775 8.531 -1.575) 17.134 6.262 ( 5.753 3.321 -3.712) 7.610 6.325 ( -2.141 -1.236 -0.378) 2.501 8.136 ( -13.175 -7.606 1.406) 15.277 8.259 ( -2.927 -1.690 -0.146) 3.383 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 3.971 2.293 9.828) 10.845 1.380 ( 2.566 1.481 7.222) 7.806 1.730 ( 9.582 5.532 -5.327) 12.280 1.782 ( 6.604 3.813 1.564) 7.785 2.480 ( 8.902 5.139 -1.456) 10.381 2.887 ( 14.144 8.166 -3.119) 16.628 5.385 ( 6.337 3.659 0.408) 7.329 6.114 ( -5.509 -3.181 1.553) 6.548 6.277 ( -1.864 -1.076 -0.437) 2.196 6.647 ( 13.264 7.658 -5.472) 16.264 7.826 ( -14.456 -8.346 0.388) 16.696 8.205 ( -1.986 -1.147 2.068) 3.088 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 6.569 16.643) 17.893 1.197 ( 0.000 7.661 2.762) 8.143 1.314 ( -0.000 0.244 -3.097) 3.107 1.472 ( -0.000 9.757 -11.668) 15.210 2.135 ( 0.000 1.853 20.991) 21.072 2.712 ( -0.000 -5.590 -15.675) 16.642 5.188 ( 0.000 2.548 0.536) 2.604 5.561 ( -0.000 33.934 -2.776) 34.048 6.345 ( -0.000 -3.683 -0.459) 3.712 6.365 ( -0.000 -1.658 -0.218) 1.672 8.305 ( 0.000 -3.025 1.858) 3.550 8.400 ( -0.000 -9.181 -1.336) 9.278 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -2.015 6.303 11.013) 12.848 1.308 ( 4.244 0.653 -8.772) 9.766 1.442 ( 7.595 7.275 10.523) 14.878 1.565 ( 3.105 11.717 -9.691) 15.519 2.238 ( 3.565 5.215 9.665) 11.546 2.646 ( 1.033 1.328 -7.752) 7.933 5.240 ( 2.336 4.012 0.261) 4.650 6.041 ( 16.488 28.075 -2.369) 32.645 6.274 ( -2.933 -4.904 -0.441) 5.731 6.338 ( -1.046 -1.887 -0.154) 2.163 8.212 ( -6.316 -12.205 2.242) 13.924 8.280 ( -2.521 -2.735 -1.905) 4.180 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 1.184 5.249 7.946) 9.597 1.364 ( 3.121 2.256 -0.794) 3.932 1.644 ( 7.276 8.909 -2.078) 11.689 1.738 ( 5.605 7.239 1.358) 9.256 2.400 ( 6.684 6.866 -0.427) 9.592 2.770 ( 8.910 9.500 -1.910) 13.164 5.344 ( 4.345 5.691 0.153) 7.162 6.161 ( -4.287 -5.065 0.790) 6.683 6.296 ( -1.553 -1.350 -0.198) 2.067 6.510 ( 13.330 15.006 -2.318) 20.205 7.945 ( -10.870 -11.844 -0.115) 16.076 8.219 ( -1.692 -2.881 1.088) 3.514 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.000 2.642 -13.951) 14.199 1.317 ( 0.000 4.674 8.966) 10.111 1.485 ( 0.000 9.746 9.765) 13.796 1.623 ( -0.000 11.771 -10.320) 15.654 2.289 ( 0.000 7.350 4.397) 8.564 2.652 ( -0.000 5.608 -1.205) 5.736 5.264 ( 0.000 5.171 0.090) 5.172 6.195 ( -0.000 28.112 -0.538) 28.117 6.247 ( 0.000 -4.735 0.250) 4.741 6.323 ( 0.000 -2.529 0.096) 2.531 8.135 ( 0.000 -15.215 1.668) 15.306 8.268 ( -0.000 -2.927 -2.327) 3.739 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 -0.000 9.863) 9.863 1.108 ( 0.000 -0.000 9.863) 9.863 1.319 ( -0.000 0.000 -7.962) 7.962 1.319 ( -0.000 0.000 -7.962) 7.962 2.185 ( 0.000 -0.000 17.136) 17.136 2.749 ( -0.000 0.000 -14.336) 14.336 5.165 ( 0.000 -0.000 0.300) 0.300 5.165 ( 0.000 -0.000 0.300) 0.300 6.381 ( -0.000 0.000 -0.162) 0.162 6.381 ( -0.000 0.000 -0.162) 0.162 8.332 ( 0.000 -0.000 0.628) 0.628 8.500 ( -0.000 0.000 -0.337) 0.337 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 7.23e-05 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.001 0.578 14.324) 14.370 1.244 ( 6.802 3.927 -14.307) 16.322 1.367 ( 7.078 4.087 12.837) 15.218 1.368 ( 4.817 2.781 -10.613) 11.982 2.215 ( 0.668 0.386 5.145) 5.203 2.651 ( -3.644 -2.104 -4.479) 6.145 5.190 ( 2.207 1.274 0.019) 2.549 5.552 ( 29.020 16.755 -0.672) 33.516 6.343 ( -3.303 -1.907 0.026) 3.814 6.365 ( -1.410 -0.814 -0.096) 1.631 8.313 ( -1.780 -1.028 0.174) 2.063 8.394 ( -8.876 -5.125 0.033) 10.250 =================== 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 3/40500 10.0 296.884 296.884 476.928 -0.000 0.000 0.000 3/40500 20.0 90.754 90.754 88.681 -0.000 0.000 0.000 3/40500 30.0 50.611 50.611 42.138 -0.000 0.000 0.000 3/40500 40.0 35.226 35.226 26.872 -0.000 0.000 0.000 3/40500 50.0 26.633 26.633 19.442 -0.000 0.000 0.000 3/40500 60.0 21.071 21.071 15.070 -0.000 0.000 0.000 3/40500 70.0 17.250 17.250 12.223 -0.000 0.000 0.000 3/40500 80.0 14.523 14.523 10.247 -0.000 0.000 0.000 3/40500 90.0 12.508 12.508 8.810 -0.000 0.000 0.000 3/40500 100.0 10.975 10.975 7.723 -0.000 0.000 0.000 3/40500 110.0 9.774 9.774 6.876 -0.000 0.000 0.000 3/40500 120.0 8.812 8.812 6.198 -0.000 0.000 0.000 3/40500 130.0 8.025 8.025 5.645 -0.000 0.000 0.000 3/40500 140.0 7.369 7.369 5.184 -0.000 0.000 0.000 3/40500 150.0 6.815 6.815 4.794 -0.000 0.000 0.000 3/40500 160.0 6.341 6.341 4.460 -0.000 0.000 0.000 3/40500 170.0 5.929 5.929 4.171 -0.000 0.000 0.000 3/40500 180.0 5.570 5.570 3.918 -0.000 0.000 0.000 3/40500 190.0 5.252 5.252 3.694 -0.000 0.000 0.000 3/40500 200.0 4.970 4.970 3.496 -0.000 0.000 0.000 3/40500 210.0 4.717 4.717 3.318 -0.000 0.000 0.000 3/40500 220.0 4.489 4.489 3.157 -0.000 0.000 0.000 3/40500 230.0 4.283 4.283 3.012 -0.000 0.000 0.000 3/40500 240.0 4.095 4.095 2.880 -0.000 0.000 0.000 3/40500 250.0 3.923 3.923 2.759 -0.000 0.000 0.000 3/40500 260.0 3.765 3.765 2.648 -0.000 0.000 0.000 3/40500 270.0 3.620 3.620 2.546 -0.000 0.000 0.000 3/40500 280.0 3.486 3.486 2.451 -0.000 0.000 0.000 3/40500 290.0 3.362 3.362 2.364 -0.000 0.000 0.000 3/40500 300.0 3.246 3.246 2.282 -0.000 0.000 0.000 3/40500 310.0 3.138 3.138 2.206 -0.000 0.000 0.000 3/40500 320.0 3.037 3.037 2.135 -0.000 0.000 0.000 3/40500 330.0 2.942 2.942 2.069 -0.000 0.000 0.000 3/40500 340.0 2.854 2.854 2.006 -0.000 0.000 0.000 3/40500 350.0 2.770 2.770 1.948 -0.000 0.000 0.000 3/40500 360.0 2.692 2.692 1.892 -0.000 0.000 0.000 3/40500 370.0 2.617 2.617 1.840 -0.000 0.000 0.000 3/40500 380.0 2.547 2.547 1.790 -0.000 0.000 0.000 3/40500 390.0 2.481 2.481 1.744 -0.000 0.000 0.000 3/40500 400.0 2.418 2.418 1.699 -0.000 0.000 0.000 3/40500 410.0 2.358 2.358 1.657 -0.000 0.000 0.000 3/40500 420.0 2.301 2.301 1.617 -0.000 0.000 0.000 3/40500 430.0 2.246 2.246 1.579 -0.000 0.000 0.000 3/40500 440.0 2.194 2.194 1.542 -0.000 0.000 0.000 3/40500 450.0 2.145 2.145 1.507 -0.000 0.000 0.000 3/40500 460.0 2.098 2.098 1.474 -0.000 0.000 0.000 3/40500 470.0 2.053 2.053 1.442 -0.000 0.000 0.000 3/40500 480.0 2.009 2.009 1.412 -0.000 0.000 0.000 3/40500 490.0 1.968 1.968 1.383 -0.000 0.000 0.000 3/40500 500.0 1.928 1.928 1.355 -0.000 0.000 0.000 3/40500 510.0 1.890 1.890 1.328 -0.000 0.000 0.000 3/40500 520.0 1.853 1.853 1.302 -0.000 0.000 0.000 3/40500 530.0 1.818 1.818 1.277 -0.000 0.000 0.000 3/40500 540.0 1.784 1.784 1.253 -0.000 0.000 0.000 3/40500 550.0 1.751 1.751 1.230 -0.000 0.000 0.000 3/40500 560.0 1.720 1.720 1.208 -0.000 0.000 0.000 3/40500 570.0 1.689 1.689 1.187 -0.000 0.000 0.000 3/40500 580.0 1.660 1.660 1.166 -0.000 0.000 0.000 3/40500 590.0 1.632 1.632 1.146 -0.000 0.000 0.000 3/40500 600.0 1.604 1.604 1.127 -0.000 0.000 0.000 3/40500 610.0 1.578 1.578 1.108 -0.000 0.000 0.000 3/40500 620.0 1.552 1.552 1.090 -0.000 0.000 0.000 3/40500 630.0 1.528 1.528 1.073 -0.000 0.000 0.000 3/40500 640.0 1.504 1.504 1.056 -0.000 0.000 0.000 3/40500 650.0 1.480 1.480 1.040 -0.000 0.000 0.000 3/40500 660.0 1.458 1.458 1.024 -0.000 0.000 0.000 3/40500 670.0 1.436 1.436 1.009 -0.000 0.000 0.000 3/40500 680.0 1.415 1.415 0.994 -0.000 0.000 0.000 3/40500 690.0 1.394 1.394 0.979 -0.000 0.000 0.000 3/40500 700.0 1.374 1.374 0.965 -0.000 0.000 0.000 3/40500 710.0 1.355 1.355 0.951 -0.000 0.000 0.000 3/40500 720.0 1.336 1.336 0.938 -0.000 0.000 0.000 3/40500 730.0 1.317 1.317 0.925 -0.000 0.000 0.000 3/40500 740.0 1.299 1.299 0.913 -0.000 0.000 0.000 3/40500 750.0 1.282 1.282 0.900 -0.000 0.000 0.000 3/40500 760.0 1.265 1.265 0.889 -0.000 0.000 0.000 3/40500 770.0 1.249 1.249 0.877 -0.000 0.000 0.000 3/40500 780.0 1.233 1.233 0.866 -0.000 0.000 0.000 3/40500 790.0 1.217 1.217 0.855 -0.000 0.000 0.000 3/40500 800.0 1.202 1.202 0.844 -0.000 0.000 0.000 3/40500 810.0 1.187 1.187 0.833 -0.000 0.000 0.000 3/40500 820.0 1.172 1.172 0.823 -0.000 0.000 0.000 3/40500 830.0 1.158 1.158 0.813 -0.000 0.000 0.000 3/40500 840.0 1.144 1.144 0.804 -0.000 0.000 0.000 3/40500 850.0 1.131 1.131 0.794 -0.000 0.000 0.000 3/40500 860.0 1.118 1.118 0.785 -0.000 0.000 0.000 3/40500 870.0 1.105 1.105 0.776 -0.000 0.000 0.000 3/40500 880.0 1.092 1.092 0.767 -0.000 0.000 0.000 3/40500 890.0 1.080 1.080 0.758 -0.000 0.000 0.000 3/40500 900.0 1.068 1.068 0.750 -0.000 0.000 0.000 3/40500 910.0 1.056 1.056 0.742 -0.000 0.000 0.000 3/40500 920.0 1.045 1.045 0.733 -0.000 0.000 0.000 3/40500 930.0 1.033 1.033 0.726 -0.000 0.000 0.000 3/40500 940.0 1.022 1.022 0.718 -0.000 0.000 0.000 3/40500 950.0 1.012 1.012 0.710 -0.000 0.000 0.000 3/40500 960.0 1.001 1.001 0.703 -0.000 0.000 0.000 3/40500 970.0 0.991 0.991 0.696 -0.000 0.000 0.000 3/40500 980.0 0.980 0.980 0.688 -0.000 0.000 0.000 3/40500 990.0 0.971 0.971 0.681 -0.000 0.000 0.000 3/40500 1000.0 0.961 0.961 0.675 -0.000 0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:28:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|