----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:44:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.910280680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.910280680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.749343710000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.50000000000000 0.87670824996230 88.906 2 Y 0.50000000000000 0.00000000000000 0.12329175003770 88.906 *3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 4 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *5 As 0.00000000000000 0.50000000000000 0.31542304931890 74.922 6 As 0.50000000000000 0.00000000000000 0.68457695068110 74.922 *7 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 8 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.910280680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.910280680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.749343710000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.50000000000000 0.87670824996230 88.906 > 1 2 Y 0.50000000000000 0.00000000000000 0.12329175003770 88.906 > 2 *3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 3 4 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 4 *5 As 0.00000000000000 0.50000000000000 0.31542304931890 74.922 > 5 6 As 0.50000000000000 0.00000000000000 0.68457695068110 74.922 > 6 *7 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 > 7 8 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.730842040000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730842040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.498687420000000 Atomic positions (fractional): *1 Y 0.00000000000000 0.16666666666667 0.43835412498115 88.906 > 1 2 Y 0.33333333333333 0.16666666666667 0.43835412498115 88.906 > 1 3 Y 0.66666666666667 0.16666666666667 0.43835412498115 88.906 > 1 4 Y 0.00000000000000 0.50000000000000 0.43835412498115 88.906 > 1 5 Y 0.33333333333333 0.50000000000000 0.43835412498115 88.906 > 1 6 Y 0.66666666666667 0.50000000000000 0.43835412498115 88.906 > 1 7 Y 0.00000000000000 0.83333333333333 0.43835412498115 88.906 > 1 8 Y 0.33333333333333 0.83333333333333 0.43835412498115 88.906 > 1 9 Y 0.66666666666667 0.83333333333333 0.43835412498115 88.906 > 1 10 Y 0.00000000000000 0.16666666666667 0.93835412498115 88.906 > 1 11 Y 0.33333333333333 0.16666666666667 0.93835412498115 88.906 > 1 12 Y 0.66666666666667 0.16666666666667 0.93835412498115 88.906 > 1 13 Y 0.00000000000000 0.50000000000000 0.93835412498115 88.906 > 1 14 Y 0.33333333333333 0.50000000000000 0.93835412498115 88.906 > 1 15 Y 0.66666666666667 0.50000000000000 0.93835412498115 88.906 > 1 16 Y 0.00000000000000 0.83333333333333 0.93835412498115 88.906 > 1 17 Y 0.33333333333333 0.83333333333333 0.93835412498115 88.906 > 1 18 Y 0.66666666666667 0.83333333333333 0.93835412498115 88.906 > 1 19 Y 0.16666666666667 0.00000000000000 0.06164587501885 88.906 > 2 20 Y 0.50000000000000 0.00000000000000 0.06164587501885 88.906 > 2 21 Y 0.83333333333333 0.00000000000000 0.06164587501885 88.906 > 2 22 Y 0.16666666666667 0.33333333333333 0.06164587501885 88.906 > 2 23 Y 0.50000000000000 0.33333333333333 0.06164587501885 88.906 > 2 24 Y 0.83333333333333 0.33333333333333 0.06164587501885 88.906 > 2 25 Y 0.16666666666667 0.66666666666667 0.06164587501885 88.906 > 2 26 Y 0.50000000000000 0.66666666666667 0.06164587501885 88.906 > 2 27 Y 0.83333333333333 0.66666666666667 0.06164587501885 88.906 > 2 28 Y 0.16666666666667 0.00000000000000 0.56164587501885 88.906 > 2 29 Y 0.50000000000000 0.00000000000000 0.56164587501885 88.906 > 2 30 Y 0.83333333333333 0.00000000000000 0.56164587501885 88.906 > 2 31 Y 0.16666666666667 0.33333333333333 0.56164587501885 88.906 > 2 32 Y 0.50000000000000 0.33333333333333 0.56164587501885 88.906 > 2 33 Y 0.83333333333333 0.33333333333333 0.56164587501885 88.906 > 2 34 Y 0.16666666666667 0.66666666666667 0.56164587501885 88.906 > 2 35 Y 0.50000000000000 0.66666666666667 0.56164587501885 88.906 > 2 36 Y 0.83333333333333 0.66666666666667 0.56164587501885 88.906 > 2 *37 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 3 38 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 3 39 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 3 40 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 3 41 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 3 43 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 3 44 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 3 45 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 3 46 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 3 47 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 3 48 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 3 49 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 3 50 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 3 51 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 3 52 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 3 53 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 3 54 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 3 55 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 4 56 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 4 57 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 4 58 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 4 59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 4 60 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 4 61 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 4 62 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 4 63 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 4 64 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 4 65 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 4 66 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 4 67 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 4 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 4 69 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 4 70 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 4 71 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 4 72 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 4 *73 As 0.00000000000000 0.16666666666667 0.15771152465945 74.922 > 5 74 As 0.33333333333333 0.16666666666667 0.15771152465945 74.922 > 5 75 As 0.66666666666667 0.16666666666667 0.15771152465945 74.922 > 5 76 As 0.00000000000000 0.50000000000000 0.15771152465945 74.922 > 5 77 As 0.33333333333333 0.50000000000000 0.15771152465945 74.922 > 5 78 As 0.66666666666667 0.50000000000000 0.15771152465945 74.922 > 5 79 As 0.00000000000000 0.83333333333333 0.15771152465945 74.922 > 5 80 As 0.33333333333333 0.83333333333333 0.15771152465945 74.922 > 5 81 As 0.66666666666667 0.83333333333333 0.15771152465945 74.922 > 5 82 As 0.00000000000000 0.16666666666667 0.65771152465945 74.922 > 5 83 As 0.33333333333333 0.16666666666667 0.65771152465945 74.922 > 5 84 As 0.66666666666667 0.16666666666667 0.65771152465945 74.922 > 5 85 As 0.00000000000000 0.50000000000000 0.65771152465945 74.922 > 5 86 As 0.33333333333333 0.50000000000000 0.65771152465945 74.922 > 5 87 As 0.66666666666667 0.50000000000000 0.65771152465945 74.922 > 5 88 As 0.00000000000000 0.83333333333333 0.65771152465945 74.922 > 5 89 As 0.33333333333333 0.83333333333333 0.65771152465945 74.922 > 5 90 As 0.66666666666667 0.83333333333333 0.65771152465945 74.922 > 5 91 As 0.16666666666667 0.00000000000000 0.34228847534055 74.922 > 6 92 As 0.50000000000000 0.00000000000000 0.34228847534055 74.922 > 6 93 As 0.83333333333333 0.00000000000000 0.34228847534055 74.922 > 6 94 As 0.16666666666667 0.33333333333333 0.34228847534055 74.922 > 6 95 As 0.50000000000000 0.33333333333333 0.34228847534055 74.922 > 6 96 As 0.83333333333333 0.33333333333333 0.34228847534055 74.922 > 6 97 As 0.16666666666667 0.66666666666667 0.34228847534055 74.922 > 6 98 As 0.50000000000000 0.66666666666667 0.34228847534055 74.922 > 6 99 As 0.83333333333333 0.66666666666667 0.34228847534055 74.922 > 6 100 As 0.16666666666667 0.00000000000000 0.84228847534055 74.922 > 6 101 As 0.50000000000000 0.00000000000000 0.84228847534055 74.922 > 6 102 As 0.83333333333333 0.00000000000000 0.84228847534055 74.922 > 6 103 As 0.16666666666667 0.33333333333333 0.84228847534055 74.922 > 6 104 As 0.50000000000000 0.33333333333333 0.84228847534055 74.922 > 6 105 As 0.83333333333333 0.33333333333333 0.84228847534055 74.922 > 6 106 As 0.16666666666667 0.66666666666667 0.84228847534055 74.922 > 6 107 As 0.50000000000000 0.66666666666667 0.84228847534055 74.922 > 6 108 As 0.83333333333333 0.66666666666667 0.84228847534055 74.922 > 6 *109 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 7 110 Zn 0.33333333333333 0.00000000000000 0.25000000000000 65.380 > 7 111 Zn 0.66666666666667 0.00000000000000 0.25000000000000 65.380 > 7 112 Zn 0.00000000000000 0.33333333333333 0.25000000000000 65.380 > 7 113 Zn 0.33333333333333 0.33333333333333 0.25000000000000 65.380 > 7 114 Zn 0.66666666666667 0.33333333333333 0.25000000000000 65.380 > 7 115 Zn 0.00000000000000 0.66666666666667 0.25000000000000 65.380 > 7 116 Zn 0.33333333333333 0.66666666666667 0.25000000000000 65.380 > 7 117 Zn 0.66666666666667 0.66666666666667 0.25000000000000 65.380 > 7 118 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 7 119 Zn 0.33333333333333 0.00000000000000 0.75000000000000 65.380 > 7 120 Zn 0.66666666666667 0.00000000000000 0.75000000000000 65.380 > 7 121 Zn 0.00000000000000 0.33333333333333 0.75000000000000 65.380 > 7 122 Zn 0.33333333333333 0.33333333333333 0.75000000000000 65.380 > 7 123 Zn 0.66666666666667 0.33333333333333 0.75000000000000 65.380 > 7 124 Zn 0.00000000000000 0.66666666666667 0.75000000000000 65.380 > 7 125 Zn 0.33333333333333 0.66666666666667 0.75000000000000 65.380 > 7 126 Zn 0.66666666666667 0.66666666666667 0.75000000000000 65.380 > 7 127 Zn 0.16666666666667 0.16666666666667 0.25000000000000 65.380 > 8 128 Zn 0.50000000000000 0.16666666666667 0.25000000000000 65.380 > 8 129 Zn 0.83333333333333 0.16666666666667 0.25000000000000 65.380 > 8 130 Zn 0.16666666666667 0.50000000000000 0.25000000000000 65.380 > 8 131 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 8 132 Zn 0.83333333333333 0.50000000000000 0.25000000000000 65.380 > 8 133 Zn 0.16666666666667 0.83333333333333 0.25000000000000 65.380 > 8 134 Zn 0.50000000000000 0.83333333333333 0.25000000000000 65.380 > 8 135 Zn 0.83333333333333 0.83333333333333 0.25000000000000 65.380 > 8 136 Zn 0.16666666666667 0.16666666666667 0.75000000000000 65.380 > 8 137 Zn 0.50000000000000 0.16666666666667 0.75000000000000 65.380 > 8 138 Zn 0.83333333333333 0.16666666666667 0.75000000000000 65.380 > 8 139 Zn 0.16666666666667 0.50000000000000 0.75000000000000 65.380 > 8 140 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 8 141 Zn 0.83333333333333 0.50000000000000 0.75000000000000 65.380 > 8 142 Zn 0.16666666666667 0.83333333333333 0.75000000000000 65.380 > 8 143 Zn 0.50000000000000 0.83333333333333 0.75000000000000 65.380 > 8 144 Zn 0.83333333333333 0.83333333333333 0.75000000000000 65.380 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.8937198 0.0000000 0.0000000 0.0000000 14.8937198 0.0000000 0.0000000 0.0000000 8.3488701 -------------------------- Born effective charges -------------------------- 1 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 2 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 3 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 4 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 5 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 6 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 7 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 8 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 428 Number of blocks in projector: 436 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 40 Use standard eigh solver. Tree of FC basis block matrices: - (428, 420), data: False |-- (40, 40), data: True |-- (100, 96), data: True |-- (128, 128), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 80 / 80 - Time: 0.436 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.531 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 428 Number of blocks in projector: 436 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 40 Use standard eigh solver. Tree of FC basis block matrices: - (428, 420), data: False |-- (40, 40), data: True |-- (100, 96), data: True |-- (128, 128), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:44:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:44:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.910280680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.910280680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.749343710000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.50000000000000 0.87670824996230 88.906 2 Y 0.50000000000000 0.00000000000000 0.12329175003770 88.906 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 4 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 5 As 0.00000000000000 0.50000000000000 0.31542304931890 74.922 6 As 0.50000000000000 0.00000000000000 0.68457695068110 74.922 7 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 8 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730842040000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730842040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.498687420000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.16666666666667 0.43835412498115 88.906 > 1 2 Y 0.33333333333333 0.16666666666667 0.43835412498115 88.906 > 1 3 Y 0.66666666666667 0.16666666666667 0.43835412498115 88.906 > 1 4 Y 0.00000000000000 0.50000000000000 0.43835412498115 88.906 > 1 5 Y 0.33333333333333 0.50000000000000 0.43835412498115 88.906 > 1 6 Y 0.66666666666667 0.50000000000000 0.43835412498115 88.906 > 1 7 Y 0.00000000000000 0.83333333333333 0.43835412498115 88.906 > 1 8 Y 0.33333333333333 0.83333333333333 0.43835412498115 88.906 > 1 9 Y 0.66666666666667 0.83333333333333 0.43835412498115 88.906 > 1 10 Y 0.00000000000000 0.16666666666667 0.93835412498115 88.906 > 1 11 Y 0.33333333333333 0.16666666666667 0.93835412498115 88.906 > 1 12 Y 0.66666666666667 0.16666666666667 0.93835412498115 88.906 > 1 13 Y 0.00000000000000 0.50000000000000 0.93835412498115 88.906 > 1 14 Y 0.33333333333333 0.50000000000000 0.93835412498115 88.906 > 1 15 Y 0.66666666666667 0.50000000000000 0.93835412498115 88.906 > 1 16 Y 0.00000000000000 0.83333333333333 0.93835412498115 88.906 > 1 17 Y 0.33333333333333 0.83333333333333 0.93835412498115 88.906 > 1 18 Y 0.66666666666667 0.83333333333333 0.93835412498115 88.906 > 1 19 Y 0.16666666666667 0.00000000000000 0.06164587501885 88.906 > 19 20 Y 0.50000000000000 0.00000000000000 0.06164587501885 88.906 > 19 21 Y 0.83333333333333 0.00000000000000 0.06164587501885 88.906 > 19 22 Y 0.16666666666667 0.33333333333333 0.06164587501885 88.906 > 19 23 Y 0.50000000000000 0.33333333333333 0.06164587501885 88.906 > 19 24 Y 0.83333333333333 0.33333333333333 0.06164587501885 88.906 > 19 25 Y 0.16666666666667 0.66666666666667 0.06164587501885 88.906 > 19 26 Y 0.50000000000000 0.66666666666667 0.06164587501885 88.906 > 19 27 Y 0.83333333333333 0.66666666666667 0.06164587501885 88.906 > 19 28 Y 0.16666666666667 0.00000000000000 0.56164587501885 88.906 > 19 29 Y 0.50000000000000 0.00000000000000 0.56164587501885 88.906 > 19 30 Y 0.83333333333333 0.00000000000000 0.56164587501885 88.906 > 19 31 Y 0.16666666666667 0.33333333333333 0.56164587501885 88.906 > 19 32 Y 0.50000000000000 0.33333333333333 0.56164587501885 88.906 > 19 33 Y 0.83333333333333 0.33333333333333 0.56164587501885 88.906 > 19 34 Y 0.16666666666667 0.66666666666667 0.56164587501885 88.906 > 19 35 Y 0.50000000000000 0.66666666666667 0.56164587501885 88.906 > 19 36 Y 0.83333333333333 0.66666666666667 0.56164587501885 88.906 > 19 37 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 37 47 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 37 48 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 37 49 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 37 50 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 37 51 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 37 52 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 37 53 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 37 54 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 37 55 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 55 56 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 55 57 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 55 58 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 55 59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 55 60 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 55 61 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 55 62 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 55 63 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 55 64 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 55 65 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 55 66 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 55 67 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 55 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 55 69 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 55 70 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 55 71 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 55 72 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 55 73 As 0.00000000000000 0.16666666666667 0.15771152465945 74.922 > 73 74 As 0.33333333333333 0.16666666666667 0.15771152465945 74.922 > 73 75 As 0.66666666666667 0.16666666666667 0.15771152465945 74.922 > 73 76 As 0.00000000000000 0.50000000000000 0.15771152465945 74.922 > 73 77 As 0.33333333333333 0.50000000000000 0.15771152465945 74.922 > 73 78 As 0.66666666666667 0.50000000000000 0.15771152465945 74.922 > 73 79 As 0.00000000000000 0.83333333333333 0.15771152465945 74.922 > 73 80 As 0.33333333333333 0.83333333333333 0.15771152465945 74.922 > 73 81 As 0.66666666666667 0.83333333333333 0.15771152465945 74.922 > 73 82 As 0.00000000000000 0.16666666666667 0.65771152465945 74.922 > 73 83 As 0.33333333333333 0.16666666666667 0.65771152465945 74.922 > 73 84 As 0.66666666666667 0.16666666666667 0.65771152465945 74.922 > 73 85 As 0.00000000000000 0.50000000000000 0.65771152465945 74.922 > 73 86 As 0.33333333333333 0.50000000000000 0.65771152465945 74.922 > 73 87 As 0.66666666666667 0.50000000000000 0.65771152465945 74.922 > 73 88 As 0.00000000000000 0.83333333333333 0.65771152465945 74.922 > 73 89 As 0.33333333333333 0.83333333333333 0.65771152465945 74.922 > 73 90 As 0.66666666666667 0.83333333333333 0.65771152465945 74.922 > 73 91 As 0.16666666666667 0.00000000000000 0.34228847534055 74.922 > 91 92 As 0.50000000000000 0.00000000000000 0.34228847534055 74.922 > 91 93 As 0.83333333333333 0.00000000000000 0.34228847534055 74.922 > 91 94 As 0.16666666666667 0.33333333333333 0.34228847534055 74.922 > 91 95 As 0.50000000000000 0.33333333333333 0.34228847534055 74.922 > 91 96 As 0.83333333333333 0.33333333333333 0.34228847534055 74.922 > 91 97 As 0.16666666666667 0.66666666666667 0.34228847534055 74.922 > 91 98 As 0.50000000000000 0.66666666666667 0.34228847534055 74.922 > 91 99 As 0.83333333333333 0.66666666666667 0.34228847534055 74.922 > 91 100 As 0.16666666666667 0.00000000000000 0.84228847534055 74.922 > 91 101 As 0.50000000000000 0.00000000000000 0.84228847534055 74.922 > 91 102 As 0.83333333333333 0.00000000000000 0.84228847534055 74.922 > 91 103 As 0.16666666666667 0.33333333333333 0.84228847534055 74.922 > 91 104 As 0.50000000000000 0.33333333333333 0.84228847534055 74.922 > 91 105 As 0.83333333333333 0.33333333333333 0.84228847534055 74.922 > 91 106 As 0.16666666666667 0.66666666666667 0.84228847534055 74.922 > 91 107 As 0.50000000000000 0.66666666666667 0.84228847534055 74.922 > 91 108 As 0.83333333333333 0.66666666666667 0.84228847534055 74.922 > 91 109 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 109 110 Zn 0.33333333333333 0.00000000000000 0.25000000000000 65.380 > 109 111 Zn 0.66666666666667 0.00000000000000 0.25000000000000 65.380 > 109 112 Zn 0.00000000000000 0.33333333333333 0.25000000000000 65.380 > 109 113 Zn 0.33333333333333 0.33333333333333 0.25000000000000 65.380 > 109 114 Zn 0.66666666666667 0.33333333333333 0.25000000000000 65.380 > 109 115 Zn 0.00000000000000 0.66666666666667 0.25000000000000 65.380 > 109 116 Zn 0.33333333333333 0.66666666666667 0.25000000000000 65.380 > 109 117 Zn 0.66666666666667 0.66666666666667 0.25000000000000 65.380 > 109 118 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 109 119 Zn 0.33333333333333 0.00000000000000 0.75000000000000 65.380 > 109 120 Zn 0.66666666666667 0.00000000000000 0.75000000000000 65.380 > 109 121 Zn 0.00000000000000 0.33333333333333 0.75000000000000 65.380 > 109 122 Zn 0.33333333333333 0.33333333333333 0.75000000000000 65.380 > 109 123 Zn 0.66666666666667 0.33333333333333 0.75000000000000 65.380 > 109 124 Zn 0.00000000000000 0.66666666666667 0.75000000000000 65.380 > 109 125 Zn 0.33333333333333 0.66666666666667 0.75000000000000 65.380 > 109 126 Zn 0.66666666666667 0.66666666666667 0.75000000000000 65.380 > 109 127 Zn 0.16666666666667 0.16666666666667 0.25000000000000 65.380 > 127 128 Zn 0.50000000000000 0.16666666666667 0.25000000000000 65.380 > 127 129 Zn 0.83333333333333 0.16666666666667 0.25000000000000 65.380 > 127 130 Zn 0.16666666666667 0.50000000000000 0.25000000000000 65.380 > 127 131 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 127 132 Zn 0.83333333333333 0.50000000000000 0.25000000000000 65.380 > 127 133 Zn 0.16666666666667 0.83333333333333 0.25000000000000 65.380 > 127 134 Zn 0.50000000000000 0.83333333333333 0.25000000000000 65.380 > 127 135 Zn 0.83333333333333 0.83333333333333 0.25000000000000 65.380 > 127 136 Zn 0.16666666666667 0.16666666666667 0.75000000000000 65.380 > 127 137 Zn 0.50000000000000 0.16666666666667 0.75000000000000 65.380 > 127 138 Zn 0.83333333333333 0.16666666666667 0.75000000000000 65.380 > 127 139 Zn 0.16666666666667 0.50000000000000 0.75000000000000 65.380 > 127 140 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 127 141 Zn 0.83333333333333 0.50000000000000 0.75000000000000 65.380 > 127 142 Zn 0.16666666666667 0.83333333333333 0.75000000000000 65.380 > 127 143 Zn 0.50000000000000 0.83333333333333 0.75000000000000 65.380 > 127 144 Zn 0.83333333333333 0.83333333333333 0.75000000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.8937198 0.0000000 0.0000000 0.0000000 14.8937198 0.0000000 0.0000000 0.0000000 8.3488701 -------------------------- Born effective charges -------------------------- 1 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 2 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 3 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 4 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 5 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 6 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 7 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 8 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:44:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:44:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.910280680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.910280680000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.749343710000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.50000000000000 0.87670824996230 88.906 2 Y 0.50000000000000 0.00000000000000 0.12329175003770 88.906 3 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 4 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 5 As 0.00000000000000 0.50000000000000 0.31542304931890 74.922 6 As 0.50000000000000 0.00000000000000 0.68457695068110 74.922 7 Zn 0.00000000000000 0.00000000000000 0.50000000000000 65.380 8 Zn 0.50000000000000 0.50000000000000 0.50000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730842040000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.730842040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.498687420000000 Atomic positions (fractional): 1 Y 0.00000000000000 0.16666666666667 0.43835412498115 88.906 > 1 2 Y 0.33333333333333 0.16666666666667 0.43835412498115 88.906 > 1 3 Y 0.66666666666667 0.16666666666667 0.43835412498115 88.906 > 1 4 Y 0.00000000000000 0.50000000000000 0.43835412498115 88.906 > 1 5 Y 0.33333333333333 0.50000000000000 0.43835412498115 88.906 > 1 6 Y 0.66666666666667 0.50000000000000 0.43835412498115 88.906 > 1 7 Y 0.00000000000000 0.83333333333333 0.43835412498115 88.906 > 1 8 Y 0.33333333333333 0.83333333333333 0.43835412498115 88.906 > 1 9 Y 0.66666666666667 0.83333333333333 0.43835412498115 88.906 > 1 10 Y 0.00000000000000 0.16666666666667 0.93835412498115 88.906 > 1 11 Y 0.33333333333333 0.16666666666667 0.93835412498115 88.906 > 1 12 Y 0.66666666666667 0.16666666666667 0.93835412498115 88.906 > 1 13 Y 0.00000000000000 0.50000000000000 0.93835412498115 88.906 > 1 14 Y 0.33333333333333 0.50000000000000 0.93835412498115 88.906 > 1 15 Y 0.66666666666667 0.50000000000000 0.93835412498115 88.906 > 1 16 Y 0.00000000000000 0.83333333333333 0.93835412498115 88.906 > 1 17 Y 0.33333333333333 0.83333333333333 0.93835412498115 88.906 > 1 18 Y 0.66666666666667 0.83333333333333 0.93835412498115 88.906 > 1 19 Y 0.16666666666667 0.00000000000000 0.06164587501885 88.906 > 19 20 Y 0.50000000000000 0.00000000000000 0.06164587501885 88.906 > 19 21 Y 0.83333333333333 0.00000000000000 0.06164587501885 88.906 > 19 22 Y 0.16666666666667 0.33333333333333 0.06164587501885 88.906 > 19 23 Y 0.50000000000000 0.33333333333333 0.06164587501885 88.906 > 19 24 Y 0.83333333333333 0.33333333333333 0.06164587501885 88.906 > 19 25 Y 0.16666666666667 0.66666666666667 0.06164587501885 88.906 > 19 26 Y 0.50000000000000 0.66666666666667 0.06164587501885 88.906 > 19 27 Y 0.83333333333333 0.66666666666667 0.06164587501885 88.906 > 19 28 Y 0.16666666666667 0.00000000000000 0.56164587501885 88.906 > 19 29 Y 0.50000000000000 0.00000000000000 0.56164587501885 88.906 > 19 30 Y 0.83333333333333 0.00000000000000 0.56164587501885 88.906 > 19 31 Y 0.16666666666667 0.33333333333333 0.56164587501885 88.906 > 19 32 Y 0.50000000000000 0.33333333333333 0.56164587501885 88.906 > 19 33 Y 0.83333333333333 0.33333333333333 0.56164587501885 88.906 > 19 34 Y 0.16666666666667 0.66666666666667 0.56164587501885 88.906 > 19 35 Y 0.50000000000000 0.66666666666667 0.56164587501885 88.906 > 19 36 Y 0.83333333333333 0.66666666666667 0.56164587501885 88.906 > 19 37 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.00000000000000 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.00000000000000 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.00000000000000 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.00000000000000 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.00000000000000 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.00000000000000 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.00000000000000 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.00000000000000 15.999 > 37 46 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 37 47 O 0.33333333333333 0.00000000000000 0.50000000000000 15.999 > 37 48 O 0.66666666666667 0.00000000000000 0.50000000000000 15.999 > 37 49 O 0.00000000000000 0.33333333333333 0.50000000000000 15.999 > 37 50 O 0.33333333333333 0.33333333333333 0.50000000000000 15.999 > 37 51 O 0.66666666666667 0.33333333333333 0.50000000000000 15.999 > 37 52 O 0.00000000000000 0.66666666666667 0.50000000000000 15.999 > 37 53 O 0.33333333333333 0.66666666666667 0.50000000000000 15.999 > 37 54 O 0.66666666666667 0.66666666666667 0.50000000000000 15.999 > 37 55 O 0.16666666666667 0.16666666666667 0.00000000000000 15.999 > 55 56 O 0.50000000000000 0.16666666666667 0.00000000000000 15.999 > 55 57 O 0.83333333333333 0.16666666666667 0.00000000000000 15.999 > 55 58 O 0.16666666666667 0.50000000000000 0.00000000000000 15.999 > 55 59 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 55 60 O 0.83333333333333 0.50000000000000 0.00000000000000 15.999 > 55 61 O 0.16666666666667 0.83333333333333 0.00000000000000 15.999 > 55 62 O 0.50000000000000 0.83333333333333 0.00000000000000 15.999 > 55 63 O 0.83333333333333 0.83333333333333 0.00000000000000 15.999 > 55 64 O 0.16666666666667 0.16666666666667 0.50000000000000 15.999 > 55 65 O 0.50000000000000 0.16666666666667 0.50000000000000 15.999 > 55 66 O 0.83333333333333 0.16666666666667 0.50000000000000 15.999 > 55 67 O 0.16666666666667 0.50000000000000 0.50000000000000 15.999 > 55 68 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 55 69 O 0.83333333333333 0.50000000000000 0.50000000000000 15.999 > 55 70 O 0.16666666666667 0.83333333333333 0.50000000000000 15.999 > 55 71 O 0.50000000000000 0.83333333333333 0.50000000000000 15.999 > 55 72 O 0.83333333333333 0.83333333333333 0.50000000000000 15.999 > 55 73 As 0.00000000000000 0.16666666666667 0.15771152465945 74.922 > 73 74 As 0.33333333333333 0.16666666666667 0.15771152465945 74.922 > 73 75 As 0.66666666666667 0.16666666666667 0.15771152465945 74.922 > 73 76 As 0.00000000000000 0.50000000000000 0.15771152465945 74.922 > 73 77 As 0.33333333333333 0.50000000000000 0.15771152465945 74.922 > 73 78 As 0.66666666666667 0.50000000000000 0.15771152465945 74.922 > 73 79 As 0.00000000000000 0.83333333333333 0.15771152465945 74.922 > 73 80 As 0.33333333333333 0.83333333333333 0.15771152465945 74.922 > 73 81 As 0.66666666666667 0.83333333333333 0.15771152465945 74.922 > 73 82 As 0.00000000000000 0.16666666666667 0.65771152465945 74.922 > 73 83 As 0.33333333333333 0.16666666666667 0.65771152465945 74.922 > 73 84 As 0.66666666666667 0.16666666666667 0.65771152465945 74.922 > 73 85 As 0.00000000000000 0.50000000000000 0.65771152465945 74.922 > 73 86 As 0.33333333333333 0.50000000000000 0.65771152465945 74.922 > 73 87 As 0.66666666666667 0.50000000000000 0.65771152465945 74.922 > 73 88 As 0.00000000000000 0.83333333333333 0.65771152465945 74.922 > 73 89 As 0.33333333333333 0.83333333333333 0.65771152465945 74.922 > 73 90 As 0.66666666666667 0.83333333333333 0.65771152465945 74.922 > 73 91 As 0.16666666666667 0.00000000000000 0.34228847534055 74.922 > 91 92 As 0.50000000000000 0.00000000000000 0.34228847534055 74.922 > 91 93 As 0.83333333333333 0.00000000000000 0.34228847534055 74.922 > 91 94 As 0.16666666666667 0.33333333333333 0.34228847534055 74.922 > 91 95 As 0.50000000000000 0.33333333333333 0.34228847534055 74.922 > 91 96 As 0.83333333333333 0.33333333333333 0.34228847534055 74.922 > 91 97 As 0.16666666666667 0.66666666666667 0.34228847534055 74.922 > 91 98 As 0.50000000000000 0.66666666666667 0.34228847534055 74.922 > 91 99 As 0.83333333333333 0.66666666666667 0.34228847534055 74.922 > 91 100 As 0.16666666666667 0.00000000000000 0.84228847534055 74.922 > 91 101 As 0.50000000000000 0.00000000000000 0.84228847534055 74.922 > 91 102 As 0.83333333333333 0.00000000000000 0.84228847534055 74.922 > 91 103 As 0.16666666666667 0.33333333333333 0.84228847534055 74.922 > 91 104 As 0.50000000000000 0.33333333333333 0.84228847534055 74.922 > 91 105 As 0.83333333333333 0.33333333333333 0.84228847534055 74.922 > 91 106 As 0.16666666666667 0.66666666666667 0.84228847534055 74.922 > 91 107 As 0.50000000000000 0.66666666666667 0.84228847534055 74.922 > 91 108 As 0.83333333333333 0.66666666666667 0.84228847534055 74.922 > 91 109 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 109 110 Zn 0.33333333333333 0.00000000000000 0.25000000000000 65.380 > 109 111 Zn 0.66666666666667 0.00000000000000 0.25000000000000 65.380 > 109 112 Zn 0.00000000000000 0.33333333333333 0.25000000000000 65.380 > 109 113 Zn 0.33333333333333 0.33333333333333 0.25000000000000 65.380 > 109 114 Zn 0.66666666666667 0.33333333333333 0.25000000000000 65.380 > 109 115 Zn 0.00000000000000 0.66666666666667 0.25000000000000 65.380 > 109 116 Zn 0.33333333333333 0.66666666666667 0.25000000000000 65.380 > 109 117 Zn 0.66666666666667 0.66666666666667 0.25000000000000 65.380 > 109 118 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 109 119 Zn 0.33333333333333 0.00000000000000 0.75000000000000 65.380 > 109 120 Zn 0.66666666666667 0.00000000000000 0.75000000000000 65.380 > 109 121 Zn 0.00000000000000 0.33333333333333 0.75000000000000 65.380 > 109 122 Zn 0.33333333333333 0.33333333333333 0.75000000000000 65.380 > 109 123 Zn 0.66666666666667 0.33333333333333 0.75000000000000 65.380 > 109 124 Zn 0.00000000000000 0.66666666666667 0.75000000000000 65.380 > 109 125 Zn 0.33333333333333 0.66666666666667 0.75000000000000 65.380 > 109 126 Zn 0.66666666666667 0.66666666666667 0.75000000000000 65.380 > 109 127 Zn 0.16666666666667 0.16666666666667 0.25000000000000 65.380 > 127 128 Zn 0.50000000000000 0.16666666666667 0.25000000000000 65.380 > 127 129 Zn 0.83333333333333 0.16666666666667 0.25000000000000 65.380 > 127 130 Zn 0.16666666666667 0.50000000000000 0.25000000000000 65.380 > 127 131 Zn 0.50000000000000 0.50000000000000 0.25000000000000 65.380 > 127 132 Zn 0.83333333333333 0.50000000000000 0.25000000000000 65.380 > 127 133 Zn 0.16666666666667 0.83333333333333 0.25000000000000 65.380 > 127 134 Zn 0.50000000000000 0.83333333333333 0.25000000000000 65.380 > 127 135 Zn 0.83333333333333 0.83333333333333 0.25000000000000 65.380 > 127 136 Zn 0.16666666666667 0.16666666666667 0.75000000000000 65.380 > 127 137 Zn 0.50000000000000 0.16666666666667 0.75000000000000 65.380 > 127 138 Zn 0.83333333333333 0.16666666666667 0.75000000000000 65.380 > 127 139 Zn 0.16666666666667 0.50000000000000 0.75000000000000 65.380 > 127 140 Zn 0.50000000000000 0.50000000000000 0.75000000000000 65.380 > 127 141 Zn 0.83333333333333 0.50000000000000 0.75000000000000 65.380 > 127 142 Zn 0.16666666666667 0.83333333333333 0.75000000000000 65.380 > 127 143 Zn 0.50000000000000 0.83333333333333 0.75000000000000 65.380 > 127 144 Zn 0.83333333333333 0.83333333333333 0.75000000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.8937198 0.0000000 0.0000000 0.0000000 14.8937198 0.0000000 0.0000000 0.0000000 8.3488701 -------------------------- Born effective charges -------------------------- 1 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 2 Y 4.9387927 0.0000000 0.0000000 0.0000000 4.9387927 0.0000000 0.0000000 0.0000000 4.9348141 3 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 4 O -2.9409665 0.0000000 0.0000000 0.0000000 -2.9409665 0.0000000 0.0000000 0.0000000 -3.9339888 5 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 6 As -4.1255869 0.0000000 0.0000000 0.0000000 -4.1255869 0.0000000 0.0000000 0.0000000 -1.8462875 7 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 8 Zn 2.1277607 0.0000000 0.0000000 0.0000000 2.1277607 0.0000000 0.0000000 0.0000000 0.8454622 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 6 ] 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: 0.81, Number of G-points: 307, Lambda: 0.30 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 112 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 1.765 ( -0.000 0.000 0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 -0.000 -0.000) 0.000 3.048 ( 0.000 -0.000 -0.000) 0.000 3.731 ( 0.000 0.000 -0.000) 0.000 4.551 ( -0.000 0.000 0.000) 0.000 4.551 ( 0.000 -0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 -0.000 0.000) 0.000 5.736 ( -0.000 0.000 0.000) 0.000 5.736 ( 0.000 -0.000 -0.000) 0.000 5.772 ( -0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 -0.000) 0.000 6.813 ( -0.000 0.000 0.000) 0.000 10.339 ( 0.000 -0.000 0.000) 0.000 10.890 ( -0.000 0.000 -0.000) 0.000 10.890 ( -0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 15.065 ( 0.000 0.000 -0.000) 0.000 15.065 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 18.320 0.000 0.000) 18.320 0.513 ( 23.698 0.000 0.000) 23.698 1.047 ( 50.003 0.000 0.000) 50.003 1.884 ( 12.102 0.000 0.000) 12.102 2.083 ( 10.945 0.000 0.000) 10.945 2.862 ( -5.691 0.000 0.000) 5.691 2.924 ( -1.237 0.000 0.000) 1.237 3.228 ( 15.651 0.000 0.000) 15.651 3.712 ( -1.769 0.000 0.000) 1.769 4.567 ( 1.624 0.000 0.000) 1.624 4.745 ( -2.379 0.000 0.000) 2.379 4.908 ( 13.332 0.000 0.000) 13.332 5.679 ( 0.849 0.000 0.000) 0.849 5.718 ( -1.787 0.000 0.000) 1.787 5.734 ( -0.190 0.000 0.000) 0.190 5.792 ( 1.684 0.000 0.000) 1.684 6.725 ( -2.402 0.000 0.000) 2.402 6.738 ( -6.795 0.000 0.000) 6.795 10.305 ( -3.159 0.000 0.000) 3.159 10.965 ( 7.543 0.000 0.000) 7.543 12.682 ( 19.737 0.000 0.000) 19.737 13.076 ( -18.190 0.000 0.000) 18.190 15.015 ( -5.042 0.000 0.000) 5.042 15.124 ( 5.191 0.000 0.000) 5.191 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 24.103 0.000 0.000) 24.103 0.913 ( 17.204 0.000 0.000) 17.204 1.855 ( 28.196 0.000 0.000) 28.196 2.224 ( 21.460 0.000 0.000) 21.460 2.437 ( 26.785 0.000 0.000) 26.785 2.728 ( -7.713 0.000 0.000) 7.713 2.884 ( -2.920 0.000 0.000) 2.920 3.596 ( 19.874 0.000 0.000) 19.874 3.674 ( -1.638 0.000 0.000) 1.638 4.615 ( 3.183 0.000 0.000) 3.183 4.678 ( -4.401 0.000 0.000) 4.401 5.243 ( 19.304 0.000 0.000) 19.304 5.666 ( -3.466 0.000 0.000) 3.466 5.708 ( 1.386 0.000 0.000) 1.386 5.731 ( 0.030 0.000 0.000) 0.030 5.827 ( 1.984 0.000 0.000) 1.984 6.598 ( -5.785 0.000 0.000) 5.785 6.670 ( -2.700 0.000 0.000) 2.700 10.237 ( -2.913 0.000 0.000) 2.913 11.182 ( 14.388 0.000 0.000) 14.388 12.658 ( -21.946 0.000 0.000) 21.946 13.183 ( 29.217 0.000 0.000) 29.217 14.867 ( -9.913 0.000 0.000) 9.913 15.232 ( 5.111 0.000 0.000) 5.111 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 14.020 0.000 0.000) 14.020 1.254 ( 27.829 0.000 0.000) 27.829 2.171 ( 7.460 0.000 0.000) 7.460 2.571 ( -7.706 0.000 0.000) 7.706 2.682 ( 24.063 0.000 0.000) 24.063 2.805 ( -5.219 0.000 0.000) 5.219 3.047 ( 30.042 0.000 0.000) 30.042 3.669 ( 1.750 0.000 0.000) 1.750 3.939 ( 13.596 0.000 0.000) 13.596 4.575 ( -5.926 0.000 0.000) 5.926 4.691 ( 4.602 0.000 0.000) 4.602 5.583 ( -4.946 0.000 0.000) 4.946 5.602 ( 13.502 0.000 0.000) 13.502 5.679 ( -4.870 0.000 0.000) 4.870 5.759 ( 5.590 0.000 0.000) 5.590 5.891 ( 4.479 0.000 0.000) 4.479 6.575 ( 4.342 0.000 0.000) 4.342 6.641 ( 0.264 0.000 0.000) 0.264 10.222 ( 2.131 0.000 0.000) 2.131 11.523 ( 19.921 0.000 0.000) 19.921 12.272 ( -16.695 0.000 0.000) 16.695 13.767 ( 28.877 0.000 0.000) 28.877 14.627 ( -14.451 0.000 0.000) 14.451 15.310 ( 2.643 0.000 0.000) 2.643 ======================= Grid point 4 (5/112) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 13.513 0.000 0.000) 13.513 1.787 ( 24.048 0.000 0.000) 24.048 2.223 ( -1.236 0.000 0.000) 1.236 2.462 ( -1.224 0.000 0.000) 1.224 2.676 ( -7.895 0.000 0.000) 7.895 3.140 ( 21.967 0.000 0.000) 21.967 3.486 ( 12.904 0.000 0.000) 12.904 3.770 ( 8.697 0.000 0.000) 8.697 4.103 ( 3.227 0.000 0.000) 3.227 4.446 ( -7.185 0.000 0.000) 7.185 4.794 ( 5.806 0.000 0.000) 5.806 5.474 ( -6.147 0.000 0.000) 6.147 5.553 ( -6.413 0.000 0.000) 6.413 5.683 ( 0.041 0.000 0.000) 0.041 5.983 ( 4.493 0.000 0.000) 4.493 6.000 ( 12.277 0.000 0.000) 12.277 6.705 ( 6.875 0.000 0.000) 6.875 6.753 ( 12.334 0.000 0.000) 12.334 10.345 ( 10.643 0.000 0.000) 10.643 11.955 ( 23.714 0.000 0.000) 23.714 11.994 ( -12.348 0.000 0.000) 12.348 14.286 ( 23.446 0.000 0.000) 23.446 14.302 ( -18.500 0.000 0.000) 18.500 15.329 ( -0.824 0.000 0.000) 0.824 ======================= Grid point 5 (6/112) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 13.637 0.000 0.000) 13.637 2.047 ( 2.420 0.000 0.000) 2.420 2.159 ( -4.406 0.000 0.000) 4.406 2.495 ( -10.426 0.000 0.000) 10.426 2.668 ( 21.787 0.000 0.000) 21.787 3.536 ( 18.138 0.000 0.000) 18.138 3.606 ( 1.006 0.000 0.000) 1.006 3.912 ( 3.452 0.000 0.000) 3.452 4.093 ( -3.286 0.000 0.000) 3.286 4.291 ( -8.696 0.000 0.000) 8.696 4.918 ( 6.729 0.000 0.000) 6.729 5.344 ( -6.989 0.000 0.000) 6.989 5.479 ( -0.410 0.000 0.000) 0.410 5.667 ( -1.643 0.000 0.000) 1.643 6.062 ( 3.498 0.000 0.000) 3.498 6.148 ( 3.088 0.000 0.000) 3.088 6.901 ( 11.600 0.000 0.000) 11.600 6.995 ( 10.803 0.000 0.000) 10.803 10.637 ( 18.598 0.000 0.000) 18.598 11.748 ( -13.495 0.000 0.000) 13.495 12.443 ( 25.618 0.000 0.000) 25.618 13.903 ( -21.890 0.000 0.000) 21.890 14.683 ( 16.932 0.000 0.000) 16.932 15.276 ( -4.559 0.000 0.000) 4.559 ======================= Grid point 6 (7/112) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 13.376 0.000 0.000) 13.376 2.048 ( 0.030 0.000 0.000) 0.030 2.079 ( -3.138 0.000 0.000) 3.138 2.270 ( -12.329 0.000 0.000) 12.329 3.138 ( 23.082 0.000 0.000) 23.082 3.504 ( -12.505 0.000 0.000) 12.505 3.853 ( 14.203 0.000 0.000) 14.203 3.943 ( 1.865 0.000 0.000) 1.865 4.009 ( -4.454 0.000 0.000) 4.454 4.099 ( -10.968 0.000 0.000) 10.968 5.057 ( 7.287 0.000 0.000) 7.287 5.202 ( -7.386 0.000 0.000) 7.386 5.527 ( 4.375 0.000 0.000) 4.375 5.614 ( -3.787 0.000 0.000) 3.787 6.121 ( 2.516 0.000 0.000) 2.516 6.159 ( -1.174 0.000 0.000) 1.174 7.094 ( 6.667 0.000 0.000) 6.667 7.135 ( 2.732 0.000 0.000) 2.732 11.041 ( 21.369 0.000 0.000) 21.369 11.438 ( -18.249 0.000 0.000) 18.249 12.951 ( 25.753 0.000 0.000) 25.753 13.447 ( -24.401 0.000 0.000) 24.401 14.961 ( 11.684 0.000 0.000) 11.684 15.153 ( -7.965 0.000 0.000) 7.965 ======================= Grid point 14 (8/112) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 13.922 13.922 0.000) 19.689 0.909 ( 19.980 19.980 0.000) 28.256 1.294 ( 28.006 28.006 0.000) 39.606 1.803 ( 2.878 2.878 0.000) 4.070 2.346 ( 17.252 17.252 0.000) 24.399 2.763 ( -6.087 -6.087 0.000) 8.608 3.058 ( 5.744 5.744 0.000) 8.123 3.281 ( 8.442 8.442 0.000) 11.938 3.565 ( -6.325 -6.325 0.000) 8.945 4.718 ( 6.613 6.613 0.000) 9.352 4.826 ( 2.318 2.318 0.000) 3.278 4.944 ( 8.814 8.814 0.000) 12.464 5.674 ( -3.052 -3.052 0.000) 4.316 5.694 ( 1.174 1.174 0.000) 1.660 5.758 ( 1.037 1.037 0.000) 1.466 5.807 ( 1.268 1.268 0.000) 1.793 6.684 ( -4.852 -4.852 0.000) 6.862 6.702 ( -2.233 -2.233 0.000) 3.158 10.259 ( -3.457 -3.457 0.000) 4.889 10.885 ( -0.556 -0.556 0.000) 0.786 12.910 ( -15.428 -15.428 0.000) 21.818 12.989 ( 23.790 23.790 0.000) 33.644 14.876 ( -9.636 -9.636 0.000) 13.627 15.253 ( 8.123 8.123 0.000) 11.487 ======================= Grid point 15 (9/112) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 22.010 9.278 0.000) 23.886 1.169 ( 9.974 19.251 0.000) 21.681 1.867 ( 19.290 3.744 0.000) 19.650 2.093 ( 28.850 -2.711 0.000) 28.977 2.631 ( -7.195 -6.530 0.000) 9.716 2.732 ( 22.163 19.576 0.000) 29.570 3.068 ( -2.733 14.480 0.000) 14.735 3.505 ( -0.688 -11.257 0.000) 11.278 3.581 ( 18.446 -1.194 0.000) 18.485 4.783 ( -4.301 8.900 0.000) 9.885 4.794 ( 2.350 12.133 0.000) 12.358 5.262 ( 19.789 3.001 0.000) 20.015 5.606 ( -3.803 -4.459 0.000) 5.861 5.712 ( -0.216 -0.143 0.000) 0.259 5.769 ( 0.162 2.174 0.000) 2.180 5.838 ( 2.189 1.238 0.000) 2.515 6.592 ( -3.083 -0.169 0.000) 3.087 6.651 ( -2.431 -1.787 0.000) 3.017 10.197 ( -2.324 -3.612 0.000) 4.295 10.989 ( 10.227 -13.271 0.000) 16.754 12.546 ( -19.626 -10.682 0.000) 22.345 13.519 ( 29.056 28.119 0.000) 40.434 14.658 ( -12.666 -16.206 0.000) 20.568 15.400 ( 6.460 11.880 0.000) 13.523 ======================= Grid point 16 (10/112) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 25.295 5.062 0.000) 25.797 1.357 ( 9.623 11.359 0.000) 14.887 2.136 ( 9.708 0.199 0.000) 9.710 2.493 ( -6.219 -5.345 0.000) 8.200 2.675 ( 26.857 -0.408 0.000) 26.860 2.985 ( -5.572 15.045 0.000) 16.044 3.199 ( 23.833 13.173 0.000) 27.231 3.528 ( 3.176 -10.987 0.000) 11.437 3.903 ( 12.654 -3.394 0.000) 13.101 4.683 ( -5.680 9.548 0.000) 11.109 4.840 ( 2.680 11.656 0.000) 11.960 5.525 ( -4.275 -4.656 0.000) 6.321 5.636 ( 14.012 3.559 0.000) 14.457 5.653 ( -5.577 -2.764 0.000) 6.225 5.789 ( 5.047 2.232 0.000) 5.519 5.908 ( 4.707 1.963 0.000) 5.100 6.609 ( 5.250 3.474 0.000) 6.295 6.626 ( 0.464 -1.302 0.000) 1.382 10.191 ( 2.338 -2.990 0.000) 3.796 11.263 ( 17.203 -21.222 0.000) 27.319 12.191 ( -15.870 -7.902 0.000) 17.729 14.090 ( 28.042 28.025 0.000) 39.645 14.373 ( -16.395 -21.152 0.000) 26.762 15.500 ( 3.675 14.656 0.000) 15.109 ======================= Grid point 17 (11/112) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 10.177 5.421 0.000) 11.530 1.759 ( 18.194 -2.309 0.000) 18.340 2.250 ( 2.265 4.619 0.000) 5.144 2.440 ( 3.421 -0.350 0.000) 3.439 2.853 ( -7.702 15.108 0.000) 16.958 3.138 ( 20.200 -0.359 0.000) 20.203 3.567 ( 10.730 5.358 0.000) 11.993 3.665 ( 12.036 -6.530 0.000) 13.694 4.047 ( 2.120 -4.667 0.000) 5.126 4.563 ( -6.511 10.024 0.000) 11.953 4.904 ( 3.753 9.155 0.000) 9.894 5.432 ( -5.278 -3.674 0.000) 6.431 5.532 ( -5.457 -2.123 0.000) 5.856 5.708 ( -0.340 2.079 0.000) 2.107 6.004 ( 4.723 2.264 0.000) 5.237 6.038 ( 12.582 3.945 0.000) 13.186 6.693 ( 6.923 -1.089 0.000) 7.008 6.783 ( 11.359 3.056 0.000) 11.763 10.311 ( 10.101 -3.388 0.000) 10.654 11.651 ( 21.823 -26.325 0.000) 34.194 11.918 ( -12.568 -7.585 0.000) 14.679 14.013 ( -20.087 -24.922 0.000) 32.009 14.594 ( 22.737 26.906 0.000) 35.227 15.540 ( 0.311 17.106 0.000) 17.109 ======================= Grid point 18 (12/112) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 8.663 -0.668 0.000) 8.689 1.928 ( 1.048 -8.588 0.000) 8.651 2.263 ( 0.345 10.459 0.000) 10.465 2.638 ( -0.324 7.564 0.000) 7.571 2.753 ( 12.391 11.925 0.000) 17.198 3.444 ( 9.738 -4.113 0.000) 10.571 3.759 ( 11.123 7.411 0.000) 13.365 3.835 ( 3.326 -4.209 0.000) 5.365 4.016 ( -4.203 -5.334 0.000) 6.791 4.421 ( -8.176 10.052 0.000) 12.957 4.983 ( 4.186 5.475 0.000) 6.892 5.318 ( -6.246 -2.299 0.000) 6.655 5.482 ( 0.917 0.272 0.000) 0.957 5.691 ( -1.501 2.026 0.000) 2.522 6.088 ( 3.798 2.783 0.000) 4.708 6.187 ( 3.038 4.030 0.000) 5.047 6.890 ( 11.596 -0.989 0.000) 11.638 7.004 ( 9.787 0.986 0.000) 9.836 10.587 ( 17.540 -5.067 0.000) 18.258 11.666 ( -13.815 -8.299 0.000) 16.116 12.109 ( 24.536 -29.437 0.000) 38.322 13.586 ( -23.199 -27.889 0.000) 36.277 14.977 ( 16.301 25.687 0.000) 30.423 15.511 ( -3.247 19.644 0.000) 19.910 ======================= Grid point 19 (13/112) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 3.690 -6.615 0.000) 7.574 1.912 ( -1.541 -8.271 0.000) 8.413 2.315 ( 5.738 15.292 0.000) 16.333 2.474 ( -9.496 14.789 0.000) 17.575 3.166 ( 20.908 3.105 0.000) 21.138 3.473 ( -7.986 -1.864 0.000) 8.200 3.846 ( 1.320 -3.284 0.000) 3.539 3.917 ( -5.113 -5.346 0.000) 7.397 4.007 ( 12.652 7.880 0.000) 14.905 4.237 ( -10.538 9.482 0.000) 14.176 5.075 ( 5.369 1.675 0.000) 5.624 5.192 ( -6.348 -0.764 0.000) 6.393 5.550 ( 4.926 2.021 0.000) 5.324 5.640 ( -3.725 2.316 0.000) 4.386 6.153 ( 2.797 3.366 0.000) 4.376 6.196 ( -1.331 3.798 0.000) 4.024 7.082 ( 6.739 -0.960 0.000) 6.807 7.128 ( 2.251 -0.468 0.000) 2.299 10.970 ( 20.435 -7.147 0.000) 21.649 11.354 ( -17.969 -8.398 0.000) 19.835 12.605 ( 25.637 -30.638 0.000) 39.950 13.108 ( -25.183 -29.968 0.000) 39.144 15.242 ( 10.832 24.210 0.000) 26.523 15.413 ( -6.756 22.159 0.000) 23.166 ======================= Grid point 28 (14/112) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 16.800 16.800 0.000) 23.758 1.424 ( 6.461 6.461 0.000) 9.137 2.117 ( 12.896 12.896 0.000) 18.238 2.187 ( 18.518 18.518 0.000) 26.189 2.501 ( -6.336 -6.336 0.000) 8.960 3.118 ( 19.383 19.383 0.000) 27.412 3.328 ( 7.120 7.120 0.000) 10.069 3.352 ( -3.885 -3.885 0.000) 5.494 3.602 ( 6.681 6.681 0.000) 9.448 4.905 ( 1.510 1.510 0.000) 2.135 4.972 ( 5.770 5.770 0.000) 8.160 5.439 ( 15.676 15.676 0.000) 22.170 5.513 ( -4.685 -4.685 0.000) 6.626 5.675 ( -3.871 -3.871 0.000) 5.474 5.796 ( 0.407 0.407 0.000) 0.576 5.885 ( 3.591 3.591 0.000) 5.079 6.612 ( -1.733 -1.733 0.000) 2.450 6.613 ( 2.766 2.766 0.000) 3.912 10.127 ( -2.645 -2.645 0.000) 3.740 10.820 ( -2.991 -2.991 0.000) 4.230 12.279 ( -15.306 -15.306 0.000) 21.646 14.119 ( 31.046 31.046 0.000) 43.906 14.304 ( -19.391 -19.391 0.000) 27.423 15.620 ( 10.076 10.076 0.000) 14.250 ======================= Grid point 29 (15/112) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 17.685 8.752 0.000) 19.732 1.526 ( 5.191 5.179 0.000) 7.333 2.305 ( 9.101 16.531 0.000) 18.871 2.409 ( -1.882 -2.323 0.000) 2.990 2.686 ( 25.657 2.125 0.000) 25.745 3.315 ( -5.100 16.742 0.000) 17.501 3.340 ( 2.410 -6.833 0.000) 7.246 3.489 ( 17.935 15.218 0.000) 23.522 3.818 ( 10.641 -4.854 0.000) 11.696 4.870 ( -3.980 7.509 0.000) 8.499 5.046 ( 2.440 8.243 0.000) 8.596 5.424 ( -4.022 -5.224 0.000) 6.593 5.571 ( -6.025 -5.352 0.000) 8.059 5.754 ( 3.782 5.834 0.000) 6.952 5.845 ( 14.971 6.444 0.000) 16.299 5.972 ( 5.041 4.444 0.000) 6.720 6.600 ( 0.888 -1.098 0.000) 1.412 6.709 ( 6.871 6.502 0.000) 9.460 10.118 ( 2.031 -3.966 0.000) 4.456 10.867 ( 7.335 -16.613 0.000) 18.160 11.980 ( -14.647 -13.044 0.000) 19.613 13.898 ( -21.940 -26.150 0.000) 34.135 14.701 ( 27.522 31.667 0.000) 41.956 15.788 ( 6.913 13.766 0.000) 15.404 ======================= Grid point 30 (16/112) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.770 3.147 0.000) 6.573 1.711 ( 7.789 -2.549 0.000) 8.196 2.453 ( 5.507 15.227 0.000) 16.193 2.489 ( 11.013 5.853 0.000) 12.471 3.133 ( 18.915 0.346 0.000) 18.919 3.187 ( -7.263 17.274 0.000) 18.739 3.443 ( 8.215 -8.806 0.000) 12.043 3.802 ( 13.171 11.589 0.000) 17.544 3.942 ( 1.798 -5.836 0.000) 6.107 4.768 ( -6.328 9.344 0.000) 11.285 5.081 ( 1.086 7.785 0.000) 7.860 5.351 ( -3.718 -4.144 0.000) 5.567 5.474 ( -2.859 -3.652 0.000) 4.638 5.743 ( -1.056 0.801 0.000) 1.325 6.075 ( 5.245 4.945 0.000) 7.209 6.171 ( 12.862 10.178 0.000) 16.402 6.671 ( 7.209 -0.857 0.000) 7.260 6.872 ( 9.186 5.883 0.000) 10.909 10.218 ( 8.318 -5.829 0.000) 10.157 11.093 ( 15.244 -27.456 0.000) 31.405 11.705 ( -13.547 -13.689 0.000) 19.259 13.441 ( -24.449 -31.788 0.000) 40.103 15.186 ( 21.422 30.752 0.000) 37.478 15.891 ( 3.490 17.343 0.000) 17.691 ======================= Grid point 31 (17/112) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 3.953 0.509 0.000) 3.985 1.778 ( 0.788 -6.168 0.000) 6.218 2.536 ( 3.775 15.928 0.000) 16.369 2.768 ( 11.847 7.622 0.000) 14.087 3.072 ( -1.009 17.180 0.000) 17.210 3.397 ( 8.195 -0.709 0.000) 8.225 3.648 ( 10.173 -8.268 0.000) 13.109 3.912 ( -3.974 -5.315 0.000) 6.636 4.000 ( 8.094 11.058 0.000) 13.704 4.620 ( -8.751 9.309 0.000) 12.777 5.090 ( 0.260 4.793 0.000) 4.800 5.270 ( -4.517 -2.223 0.000) 5.034 5.485 ( 3.823 -0.172 0.000) 3.827 5.725 ( -1.097 0.821 0.000) 1.370 6.173 ( 4.584 5.732 0.000) 7.339 6.310 ( 2.300 8.527 0.000) 8.832 6.876 ( 11.876 0.114 0.000) 11.877 7.042 ( 7.305 3.159 0.000) 7.958 10.445 ( 14.517 -9.144 0.000) 17.157 11.431 ( -14.718 -15.246 0.000) 21.192 11.452 ( 20.933 -34.581 0.000) 40.423 12.940 ( -26.341 -35.948 0.000) 44.566 15.540 ( 14.632 29.126 0.000) 32.594 15.925 ( -0.038 20.884 0.000) 20.884 ======================= Grid point 32 (18/112) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.861 -1.958 0.000) 2.139 1.784 ( 0.253 -4.302 0.000) 4.309 2.630 ( 6.090 15.828 0.000) 16.959 2.765 ( -6.816 13.865 0.000) 15.450 3.271 ( 14.637 7.513 0.000) 16.453 3.463 ( -2.787 0.989 0.000) 2.957 3.753 ( 2.020 -5.059 0.000) 5.447 3.819 ( -4.711 -4.739 0.000) 6.682 4.192 ( 11.704 9.708 0.000) 15.206 4.424 ( -11.129 8.937 0.000) 14.273 5.113 ( 2.391 2.052 0.000) 3.151 5.181 ( -4.262 -0.198 0.000) 4.266 5.589 ( 5.732 1.407 0.000) 5.902 5.683 ( -3.465 1.361 0.000) 3.723 6.253 ( 3.522 6.638 0.000) 7.514 6.308 ( -1.853 7.423 0.000) 7.650 7.071 ( 6.926 0.379 0.000) 6.937 7.130 ( 1.034 1.063 0.000) 1.483 10.769 ( 17.779 -12.962 0.000) 22.002 11.118 ( -17.115 -15.327 0.000) 22.975 11.905 ( 24.819 -38.029 0.000) 45.411 12.415 ( -26.690 -38.245 0.000) 46.638 15.766 ( 8.611 26.980 0.000) 28.321 15.887 ( -3.877 24.204 0.000) 24.513 ======================= Grid point 42 (19/112) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.716 5.716 0.000) 8.084 1.612 ( 4.470 4.470 0.000) 6.322 2.444 ( 6.845 6.845 0.000) 9.680 2.645 ( 12.719 12.719 0.000) 17.987 2.808 ( 13.285 13.285 0.000) 18.788 3.270 ( -0.382 -0.382 0.000) 0.540 3.547 ( 3.205 3.205 0.000) 4.532 3.758 ( 1.458 1.458 0.000) 2.062 3.779 ( 14.032 14.032 0.000) 19.844 4.947 ( 0.533 0.533 0.000) 0.753 5.163 ( 4.057 4.057 0.000) 5.737 5.334 ( -3.681 -3.681 0.000) 5.205 5.458 ( -5.511 -5.511 0.000) 7.793 5.764 ( -2.017 -2.017 0.000) 2.852 6.075 ( 5.765 5.765 0.000) 8.153 6.127 ( 18.206 18.206 0.000) 25.747 6.594 ( 0.753 0.753 0.000) 1.065 6.853 ( 7.835 7.835 0.000) 11.080 10.062 ( -1.048 -1.048 0.000) 1.483 10.647 ( -5.624 -5.624 0.000) 7.953 11.699 ( -15.106 -15.106 0.000) 21.364 13.361 ( -28.205 -28.205 0.000) 39.887 15.285 ( 26.996 26.996 0.000) 38.178 16.029 ( 10.571 10.571 0.000) 14.950 ======================= Grid point 43 (20/112) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.752 -1.724 0.000) 2.458 1.704 ( 4.540 4.042 0.000) 6.078 2.670 ( 14.797 12.124 0.000) 19.130 2.785 ( 4.074 17.113 0.000) 17.591 3.162 ( 18.715 2.373 0.000) 18.864 3.318 ( 5.125 -3.232 0.000) 6.059 3.475 ( -6.671 10.512 0.000) 12.450 3.826 ( 1.961 -5.415 0.000) 5.759 4.027 ( 10.782 10.889 0.000) 15.324 4.903 ( -4.722 4.296 0.000) 6.384 5.204 ( -0.376 5.174 0.000) 5.188 5.282 ( -1.902 -2.540 0.000) 3.173 5.395 ( 0.318 -4.210 0.000) 4.222 5.721 ( -1.741 -2.896 0.000) 3.379 6.192 ( 5.959 6.601 0.000) 8.893 6.438 ( 9.677 16.007 0.000) 18.705 6.667 ( 9.115 0.617 0.000) 9.136 7.006 ( 7.427 7.414 0.000) 10.494 10.094 ( 4.531 -6.235 0.000) 7.708 10.639 ( 4.594 -17.813 0.000) 18.396 11.395 ( -15.702 -17.425 0.000) 23.456 12.794 ( -29.300 -33.511 0.000) 44.514 15.749 ( 20.066 25.888 0.000) 32.754 16.202 ( 7.036 14.110 0.000) 15.767 ======================= Grid point 44 (21/112) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 2.120 -1.617 0.000) 2.666 1.776 ( 2.426 3.449 0.000) 4.217 2.843 ( 2.580 14.527 0.000) 14.754 2.951 ( 10.997 10.757 0.000) 15.383 3.362 ( -2.819 10.940 0.000) 11.297 3.405 ( 6.261 0.670 0.000) 6.297 3.522 ( 13.230 -3.514 0.000) 13.689 3.810 ( -2.947 -4.555 0.000) 5.425 4.201 ( 7.469 9.064 0.000) 11.745 4.771 ( -8.514 5.971 0.000) 10.399 5.171 ( -1.745 3.869 0.000) 4.245 5.241 ( -2.463 -0.472 0.000) 2.508 5.468 ( 5.924 -1.669 0.000) 6.154 5.701 ( -0.660 -3.379 0.000) 3.443 6.304 ( 5.394 7.270 0.000) 9.052 6.502 ( -0.287 9.753 0.000) 9.758 6.919 ( 12.998 4.985 0.000) 13.921 7.132 ( 5.024 5.936 0.000) 7.777 10.238 ( 9.975 -11.455 0.000) 15.189 10.822 ( 13.863 -28.190 0.000) 31.414 11.083 ( -15.982 -19.617 0.000) 25.303 12.216 ( -29.223 -36.917 0.000) 47.083 16.072 ( 12.812 24.356 0.000) 27.521 16.304 ( 3.298 17.367 0.000) 17.677 ======================= Grid point 45 (22/112) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 2.742 0.767 0.000) 2.848 1.790 ( -0.961 2.572 0.000) 2.746 2.910 ( 4.475 12.231 0.000) 13.024 3.004 ( -3.840 10.508 0.000) 11.187 3.429 ( 6.968 6.856 0.000) 9.775 3.491 ( 1.665 0.666 0.000) 1.793 3.685 ( 3.455 -0.834 0.000) 3.554 3.740 ( -3.495 -2.549 0.000) 4.326 4.365 ( 9.922 7.552 0.000) 12.470 4.577 ( -10.867 6.519 0.000) 12.673 5.159 ( 0.644 2.902 0.000) 2.973 5.191 ( -2.339 1.430 0.000) 2.742 5.589 ( 5.677 -1.572 0.000) 5.891 5.673 ( -2.700 -2.577 0.000) 3.733 6.400 ( 4.282 7.802 0.000) 8.900 6.470 ( -2.735 8.333 0.000) 8.771 7.119 ( 6.886 4.878 0.000) 8.439 7.186 ( -0.018 4.829 0.000) 4.829 10.476 ( 13.852 -16.316 0.000) 21.403 10.770 ( -15.672 -19.464 0.000) 24.990 11.175 ( 21.695 -34.988 0.000) 41.168 11.659 ( -26.965 -37.676 0.000) 46.331 16.259 ( 6.304 22.492 0.000) 23.359 16.328 ( -0.991 20.188 0.000) 20.212 ======================= Grid point 56 (23/112) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.320 1.320 0.000) 1.866 1.789 ( 4.318 4.318 0.000) 6.107 2.937 ( 14.134 14.134 0.000) 19.988 3.056 ( 6.641 6.641 0.000) 9.392 3.236 ( 8.494 8.494 0.000) 12.012 3.339 ( 5.024 5.024 0.000) 7.106 3.545 ( -3.172 -3.172 0.000) 4.486 3.770 ( -0.135 -0.135 0.000) 0.191 4.218 ( 8.205 8.205 0.000) 11.604 4.934 ( -1.350 -1.350 0.000) 1.909 5.258 ( -0.096 -0.096 0.000) 0.136 5.301 ( 3.060 3.060 0.000) 4.327 5.319 ( -1.248 -1.248 0.000) 1.765 5.650 ( -3.541 -3.541 0.000) 5.007 6.323 ( 6.574 6.574 0.000) 9.296 6.645 ( 1.477 1.477 0.000) 2.089 6.801 ( 15.354 15.354 0.000) 21.713 7.150 ( 6.915 6.915 0.000) 9.780 10.000 ( -2.517 -2.517 0.000) 3.559 10.401 ( -6.590 -6.590 0.000) 9.320 11.037 ( -18.510 -18.510 0.000) 26.177 12.137 ( -32.961 -32.961 0.000) 46.614 16.190 ( 18.723 18.723 0.000) 26.478 16.442 ( 10.204 10.204 0.000) 14.431 ======================= Grid point 57 (24/112) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 4.307 3.271 0.000) 5.409 1.859 ( 2.404 4.606 0.000) 5.196 3.082 ( -0.239 8.739 0.000) 8.742 3.174 ( 7.645 11.376 0.000) 13.706 3.406 ( 5.348 1.206 0.000) 5.482 3.455 ( -3.032 -1.744 0.000) 3.498 3.531 ( 12.988 3.256 0.000) 13.390 3.766 ( -0.722 0.482 0.000) 0.868 4.351 ( 5.864 6.144 0.000) 8.493 4.849 ( -7.073 1.626 0.000) 7.258 5.256 ( -2.064 4.826 0.000) 5.248 5.257 ( -0.466 1.973 0.000) 2.027 5.425 ( 6.272 -2.339 0.000) 6.693 5.607 ( -0.860 -5.441 0.000) 5.509 6.444 ( 5.567 6.607 0.000) 8.640 6.644 ( -1.023 4.346 0.000) 4.465 7.084 ( 12.122 10.961 0.000) 16.342 7.265 ( 4.502 7.175 0.000) 8.470 10.015 ( 4.096 -10.419 0.000) 11.195 10.374 ( 3.928 -17.096 0.000) 17.542 10.683 ( -17.065 -20.324 0.000) 26.538 11.511 ( -30.350 -34.299 0.000) 45.799 16.485 ( 11.330 17.439 0.000) 20.796 16.601 ( 5.957 12.759 0.000) 14.081 ======================= Grid point 58 (25/112) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 4.487 4.942 0.000) 6.675 1.871 ( -1.402 5.189 0.000) 5.375 3.101 ( 2.588 6.826 0.000) 7.300 3.178 ( -4.362 6.663 0.000) 7.964 3.481 ( 2.424 -0.662 0.000) 2.513 3.481 ( 2.383 -0.581 0.000) 2.452 3.720 ( 5.107 3.220 0.000) 6.037 3.755 ( -0.160 3.586 0.000) 3.590 4.483 ( 8.285 4.330 0.000) 9.348 4.673 ( -10.180 2.900 0.000) 10.584 5.234 ( -0.220 4.617 0.000) 4.623 5.242 ( -0.808 3.603 0.000) 3.692 5.535 ( 4.504 -3.362 0.000) 5.620 5.592 ( -1.366 -4.919 0.000) 5.105 6.540 ( 4.199 6.089 0.000) 7.396 6.608 ( -2.671 5.334 0.000) 5.966 7.261 ( 5.807 8.970 0.000) 10.686 7.315 ( 0.182 7.795 0.000) 7.797 10.151 ( 9.390 -16.010 0.000) 18.560 10.378 ( -13.674 -19.539 0.000) 23.848 10.563 ( 15.314 -26.625 0.000) 30.715 10.963 ( -24.741 -32.458 0.000) 40.812 16.640 ( 4.601 16.164 0.000) 16.806 16.672 ( 1.130 14.691 0.000) 14.734 ======================= Grid point 70 (26/112) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 5.948 5.948 0.000) 8.411 1.942 ( 3.367 3.367 0.000) 4.762 3.158 ( 0.329 0.329 0.000) 0.465 3.352 ( -5.658 -5.658 0.000) 8.002 3.376 ( 7.209 7.209 0.000) 10.195 3.481 ( 4.052 4.052 0.000) 5.730 3.632 ( 7.480 7.480 0.000) 10.578 3.797 ( 1.951 1.951 0.000) 2.759 4.447 ( 4.020 4.020 0.000) 5.686 4.819 ( -4.754 -4.754 0.000) 6.723 5.299 ( 1.643 1.643 0.000) 2.323 5.330 ( 1.023 1.023 0.000) 1.447 5.412 ( 2.602 2.602 0.000) 3.680 5.526 ( -2.018 -2.018 0.000) 2.854 6.557 ( 4.842 4.842 0.000) 6.848 6.689 ( 0.647 0.647 0.000) 0.915 7.297 ( 9.631 9.631 0.000) 13.621 7.395 ( 5.529 5.529 0.000) 7.819 9.869 ( -3.616 -3.616 0.000) 5.114 10.146 ( -6.130 -6.130 0.000) 8.669 10.310 ( -16.994 -16.994 0.000) 24.033 10.885 ( -28.760 -28.760 0.000) 40.673 16.757 ( 10.291 10.291 0.000) 14.554 16.804 ( 7.761 7.761 0.000) 10.976 ======================= Grid point 71 (27/112) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 340 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 4.649 6.118 0.000) 7.684 1.975 ( -0.334 4.896 0.000) 4.907 3.164 ( 1.361 0.053 0.000) 1.362 3.229 ( -5.205 -1.567 0.000) 5.436 3.488 ( 3.307 2.716 0.000) 4.280 3.518 ( 0.059 3.727 0.000) 3.728 3.781 ( 5.738 2.881 0.000) 6.421 3.828 ( 0.499 3.121 0.000) 3.161 4.536 ( 5.792 1.372 0.000) 5.952 4.681 ( -8.272 -2.016 0.000) 8.514 5.315 ( 0.356 3.215 0.000) 3.235 5.323 ( -0.580 3.669 0.000) 3.714 5.484 ( 3.036 -1.193 0.000) 3.262 5.514 ( -0.305 -2.283 0.000) 2.303 6.635 ( 3.103 3.566 0.000) 4.727 6.680 ( -1.458 2.154 0.000) 2.601 7.437 ( 4.335 8.065 0.000) 9.156 7.466 ( 1.316 6.875 0.000) 7.000 9.881 ( 4.486 -10.510 0.000) 11.428 10.033 ( -10.939 -14.832 0.000) 18.430 10.143 ( 6.360 -15.794 0.000) 17.026 10.403 ( -19.572 -23.955 0.000) 30.934 16.893 ( 3.624 9.568 0.000) 10.231 16.904 ( 2.363 8.854 0.000) 9.164 ======================= Grid point 84 (28/112) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 3.412 3.412 0.000) 4.825 2.043 ( 1.505 1.505 0.000) 2.129 3.151 ( -0.316 -0.316 0.000) 0.447 3.174 ( -2.657 -2.657 0.000) 3.757 3.552 ( 2.797 2.797 0.000) 3.955 3.574 ( 0.990 0.990 0.000) 1.400 3.838 ( 2.689 2.689 0.000) 3.803 3.865 ( 0.346 0.346 0.000) 0.490 4.558 ( 1.556 1.556 0.000) 2.201 4.614 ( -3.900 -3.900 0.000) 5.515 5.353 ( 0.824 0.824 0.000) 1.165 5.359 ( 0.299 0.299 0.000) 0.424 5.493 ( 1.219 1.219 0.000) 1.723 5.502 ( 0.199 0.199 0.000) 0.281 6.684 ( 1.598 1.598 0.000) 2.260 6.700 ( 0.036 0.036 0.000) 0.050 7.553 ( 3.334 3.334 0.000) 4.714 7.562 ( 2.450 2.450 0.000) 3.465 9.762 ( -1.429 -1.429 0.000) 2.022 9.817 ( -6.887 -6.887 0.000) 9.740 9.953 ( -3.001 -3.001 0.000) 4.244 10.043 ( -11.995 -11.995 0.000) 16.963 17.018 ( 3.188 3.188 0.000) 4.508 17.020 ( 2.917 2.917 0.000) 4.125 ======================= Grid point 169 (29/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 -0.000 20.074) 20.074 0.389 ( 0.000 0.000 20.074) 20.074 0.830 ( 0.000 0.000 42.869) 42.869 1.667 ( -0.000 -0.000 -9.572) 9.572 1.667 ( 0.000 0.000 -9.572) 9.572 3.000 ( 0.000 0.000 5.953) 5.953 3.000 ( 0.000 0.000 5.953) 5.953 3.358 ( 0.000 0.000 -15.061) 15.061 3.736 ( -0.000 0.000 0.528) 0.528 4.542 ( 0.000 0.000 -0.993) 0.993 4.542 ( 0.000 0.000 -0.993) 0.993 4.753 ( 0.000 -0.000 -1.452) 1.452 4.753 ( -0.000 0.000 -1.452) 1.452 5.736 ( 0.000 0.000 -0.004) 0.004 5.736 ( 0.000 -0.000 -0.004) 0.004 5.794 ( 0.000 0.000 1.992) 1.992 6.819 ( 0.000 0.000 0.529) 0.529 7.316 ( 0.000 0.000 0.079) 0.079 10.325 ( 0.000 0.000 -1.311) 1.311 10.914 ( 0.000 0.000 2.239) 2.239 10.914 ( 0.000 0.000 2.239) 2.239 15.064 ( -0.000 -0.000 -0.100) 0.100 15.064 ( 0.000 -0.000 -0.100) 0.100 16.380 ( 0.000 0.000 0.827) 0.827 ======================= Grid point 170 (30/112) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 19.149 0.000 12.868) 23.071 0.695 ( 11.234 0.000 23.122) 25.706 1.209 ( 37.560 0.000 18.596) 41.912 1.786 ( 12.166 0.000 -9.563) 15.474 1.897 ( 16.055 0.000 -14.955) 21.941 2.877 ( -9.028 0.000 -0.060) 9.028 2.988 ( -1.301 0.000 5.823) 5.967 3.317 ( 10.571 0.000 5.023) 11.703 3.707 ( -1.568 0.000 -0.703) 1.719 4.557 ( 1.552 0.000 -1.045) 1.871 4.733 ( -2.019 0.000 -1.112) 2.305 4.848 ( 13.179 0.000 -6.822) 14.840 5.216 ( 25.939 0.000 -24.067) 35.384 5.718 ( -1.776 0.000 0.006) 1.776 5.739 ( 0.137 0.000 -0.749) 0.761 5.814 ( 2.029 0.000 2.263) 3.039 6.669 ( -10.447 0.000 0.434) 10.456 7.034 ( -12.866 0.000 11.724) 17.407 10.296 ( -2.643 0.000 -0.801) 2.762 10.985 ( 7.228 0.000 1.934) 7.483 11.906 ( 57.192 0.000 -22.494) 61.457 14.393 ( -82.050 0.000 53.473) 97.936 15.014 ( -5.046 0.000 -0.101) 5.047 15.214 ( -4.481 0.000 11.267) 12.126 ======================= Grid point 171 (31/112) ======================= q-point: ( 0.15 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 16.084 0.000 17.925) 24.083 0.995 ( 15.150 0.000 8.043) 17.152 1.863 ( 22.296 0.000 0.382) 22.299 2.130 ( 21.589 0.000 -8.763) 23.300 2.311 ( 26.566 0.000 -9.521) 28.221 2.748 ( -2.857 0.000 0.013) 2.857 2.949 ( -2.644 0.000 5.644) 6.232 3.603 ( 12.003 0.000 1.133) 12.056 3.699 ( 4.592 0.000 1.660) 4.883 4.600 ( 2.432 0.000 -1.419) 2.815 4.678 ( -3.179 0.000 0.015) 3.179 5.149 ( 15.874 0.000 -8.659) 18.082 5.548 ( 10.381 0.000 -10.977) 15.109 5.667 ( -3.446 0.000 0.034) 3.447 5.739 ( -0.061 0.000 -1.184) 1.185 5.886 ( 6.361 0.000 5.050) 8.122 6.534 ( -2.981 0.000 -1.398) 3.293 6.825 ( -9.240 0.000 8.849) 12.794 10.241 ( -2.282 0.000 0.244) 2.295 11.195 ( 13.893 0.000 1.150) 13.940 12.682 ( 10.717 0.000 1.934) 10.890 13.349 ( -14.446 0.000 15.001) 20.826 14.866 ( -9.937 0.000 -0.123) 9.938 15.246 ( 3.188 0.000 1.204) 3.408 ======================= Grid point 172 (32/112) ======================= q-point: ( 0.23 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 12.651 0.000 4.786) 13.526 1.331 ( 22.678 0.000 7.629) 23.927 2.109 ( 5.253 0.000 -6.498) 8.355 2.559 ( -0.755 0.000 -0.799) 1.099 2.562 ( 18.952 0.000 -8.443) 20.748 2.903 ( 0.163 0.000 6.192) 6.194 3.022 ( 26.102 0.000 -2.427) 26.215 3.664 ( 2.131 0.000 -0.288) 2.150 3.951 ( 12.152 0.000 0.989) 12.192 4.571 ( -5.091 0.000 -0.432) 5.109 4.691 ( 4.235 0.000 -0.046) 4.236 5.407 ( 8.326 0.000 -11.046) 13.833 5.584 ( -4.919 0.000 0.079) 4.919 5.676 ( 5.611 0.000 -5.222) 7.665 5.740 ( 0.074 0.000 -0.107) 0.130 6.081 ( 11.350 0.000 13.901) 17.946 6.553 ( 4.975 0.000 -1.029) 5.080 6.689 ( -3.336 0.000 3.532) 4.859 10.235 ( 2.357 0.000 1.069) 2.588 11.525 ( 19.431 0.000 0.200) 19.432 12.354 ( -22.346 0.000 7.953) 23.719 13.723 ( 29.261 0.000 -4.295) 29.575 14.625 ( -14.518 0.000 -0.205) 14.519 15.300 ( 1.907 0.000 -1.048) 2.176 ======================= Grid point 173 (33/112) ======================= q-point: ( 0.31 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 12.613 0.000 2.640) 12.886 1.786 ( 21.409 0.000 0.121) 21.410 2.136 ( -0.744 0.000 -7.013) 7.053 2.545 ( 0.922 0.000 6.521) 6.586 2.657 ( -5.718 0.000 -1.803) 5.995 3.140 ( 19.963 0.000 0.004) 19.963 3.422 ( 12.389 0.000 -6.508) 13.995 3.753 ( 6.830 0.000 -1.197) 6.934 4.100 ( 3.076 0.000 -0.322) 3.093 4.451 ( -6.953 0.000 0.442) 6.967 4.792 ( 5.850 0.000 -0.194) 5.854 5.459 ( -0.493 0.000 -5.412) 5.434 5.475 ( -6.118 0.000 0.132) 6.120 5.735 ( -0.394 0.000 1.824) 1.867 5.844 ( 9.626 0.000 -5.956) 11.319 6.224 ( 2.516 0.000 13.641) 13.871 6.696 ( 8.404 0.000 -0.764) 8.439 6.770 ( 11.800 0.000 1.661) 11.916 10.355 ( 10.086 0.000 0.810) 10.119 11.949 ( 23.376 0.000 -0.591) 23.384 11.990 ( -15.320 0.000 -0.329) 15.324 14.256 ( 24.157 0.000 -2.812) 24.320 14.298 ( -18.620 0.000 -0.380) 18.624 15.312 ( -0.831 0.000 -1.618) 1.819 ======================= Grid point 174 (34/112) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 13.067 0.000 1.261) 13.128 2.030 ( 2.657 0.000 -1.440) 3.023 2.149 ( 1.187 0.000 -1.156) 1.657 2.492 ( -10.199 0.000 -0.273) 10.202 2.692 ( 15.986 0.000 2.584) 16.193 3.524 ( 18.210 0.000 -1.080) 18.242 3.529 ( -0.367 0.000 -8.164) 8.172 3.872 ( 3.942 0.000 -2.841) 4.859 4.094 ( -2.946 0.000 -0.111) 2.948 4.297 ( -8.810 0.000 0.533) 8.826 4.917 ( 6.822 0.000 -0.046) 6.822 5.346 ( -6.972 0.000 0.176) 6.974 5.470 ( 2.454 0.000 0.051) 2.455 5.715 ( -1.938 0.000 3.334) 3.856 6.004 ( 6.372 0.000 -3.968) 7.506 6.223 ( -1.698 0.000 5.600) 5.852 6.903 ( 11.496 0.000 -0.236) 11.498 7.013 ( 10.626 0.000 2.157) 10.842 10.629 ( 17.370 0.000 -0.864) 17.391 11.707 ( -14.554 0.000 -3.993) 15.092 12.432 ( 25.485 0.000 -1.033) 25.506 13.897 ( -22.045 0.000 -0.645) 22.055 14.665 ( 17.506 0.000 -1.622) 17.581 15.263 ( -4.230 0.000 -1.247) 4.409 ======================= Grid point 175 (35/112) ======================= q-point: ( 0.46 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 13.060 0.000 0.436) 13.067 2.058 ( 1.949 0.000 1.467) 2.439 2.115 ( -3.369 0.000 3.064) 4.554 2.270 ( -12.179 0.000 0.015) 12.179 3.079 ( 20.149 0.000 -5.541) 20.897 3.408 ( -12.060 0.000 -9.253) 15.200 3.847 ( 14.565 0.000 -0.601) 14.578 3.931 ( 3.194 0.000 -0.851) 3.306 4.012 ( -4.717 0.000 0.054) 4.718 4.100 ( -11.309 0.000 0.085) 11.309 5.058 ( 7.353 0.000 0.106) 7.353 5.204 ( -7.403 0.000 0.180) 7.405 5.553 ( 5.361 0.000 2.558) 5.940 5.653 ( -4.308 0.000 3.400) 5.488 6.104 ( 4.119 0.000 -1.348) 4.334 6.174 ( -3.076 0.000 1.247) 3.319 7.094 ( 6.861 0.000 -0.088) 6.861 7.144 ( 2.159 0.000 1.038) 2.396 11.008 ( 20.210 0.000 -3.186) 20.460 11.390 ( -17.973 0.000 -4.634) 18.561 12.939 ( 25.793 0.000 -1.110) 25.817 13.437 ( -24.539 0.000 -0.930) 24.556 14.952 ( 11.956 0.000 -0.824) 11.984 15.145 ( -7.799 0.000 -0.736) 7.834 ======================= Grid point 183 (36/112) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 6.959 6.959 19.993) 22.284 0.964 ( 17.977 17.977 5.415) 25.994 1.438 ( 22.890 22.890 14.576) 35.501 1.713 ( 3.136 3.136 -8.739) 9.800 2.187 ( 18.331 18.331 -13.267) 29.122 2.788 ( -4.490 -4.490 0.748) 6.394 3.114 ( 5.349 5.349 5.188) 9.173 3.342 ( 6.379 6.379 4.305) 9.996 3.576 ( -6.140 -6.140 1.027) 8.744 4.697 ( 6.368 6.368 -1.956) 9.216 4.781 ( 2.605 2.605 -4.603) 5.896 4.949 ( 9.505 9.505 0.437) 13.450 5.349 ( 11.870 11.870 -23.841) 29.158 5.671 ( -3.194 -3.194 -0.305) 4.527 5.762 ( 0.717 0.717 -0.494) 1.128 5.825 ( 1.040 1.040 1.712) 2.256 6.606 ( -4.649 -4.649 -0.370) 6.585 6.942 ( -7.478 -7.478 10.952) 15.224 10.266 ( -2.629 -2.629 0.245) 3.726 10.896 ( -1.065 -1.065 1.349) 2.022 12.430 ( 35.444 35.444 -14.458) 52.168 13.834 ( -40.350 -40.350 42.930) 71.409 14.871 ( -9.798 -9.798 -0.443) 13.864 15.298 ( 5.946 5.946 4.284) 9.438 ======================= Grid point 184 (37/112) ======================= q-point: ( 0.15 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 15.671 4.932 11.399) 19.997 1.231 ( 10.216 15.573 5.795) 19.505 1.866 ( 14.300 1.687 -1.842) 14.516 2.027 ( 28.190 -0.063 -5.400) 28.702 2.478 ( 6.788 4.053 -9.303) 12.208 2.824 ( 12.812 12.461 3.993) 18.313 3.113 ( -3.025 13.812 4.159) 14.739 3.511 ( -0.541 -9.650 0.709) 9.691 3.614 ( 16.751 -2.775 2.820) 17.212 4.734 ( -1.102 9.841 -3.268) 10.428 4.815 ( 0.656 9.657 0.434) 9.689 5.209 ( 15.328 7.354 -5.051) 17.735 5.575 ( 6.813 2.078 -9.466) 11.847 5.608 ( -1.046 -3.618 -2.242) 4.383 5.765 ( -0.304 0.896 -0.133) 0.955 5.865 ( 4.553 -1.848 2.953) 5.733 6.546 ( -0.703 1.401 -0.859) 1.788 6.785 ( -7.762 -3.780 8.052) 11.806 10.214 ( -2.077 -2.523 1.182) 3.475 10.993 ( 10.039 -13.839 0.704) 17.111 12.706 ( -17.574 -7.582 14.615) 24.082 13.507 ( 18.533 20.951 -1.247) 28.000 14.651 ( -12.780 -16.549 -0.646) 20.919 15.413 ( 5.362 11.727 1.117) 12.943 ======================= Grid point 185 (38/112) ======================= q-point: ( 0.23 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 19.031 4.361 2.375) 19.668 1.426 ( 11.417 7.898 5.279) 14.852 2.083 ( 6.285 -0.244 -5.866) 8.601 2.448 ( 7.433 -5.140 -5.066) 10.360 2.624 ( 17.990 2.547 -2.839) 18.390 3.035 ( -3.802 13.284 3.773) 14.324 3.212 ( 21.214 15.148 1.306) 26.100 3.532 ( 3.008 -10.458 0.432) 10.890 3.913 ( 11.926 -3.383 0.934) 12.431 4.674 ( -4.619 9.115 -0.817) 10.252 4.840 ( 2.281 11.736 0.034) 11.956 5.450 ( 6.028 4.555 -9.177) 11.887 5.523 ( -3.740 -4.840 -0.688) 6.155 5.701 ( 5.905 1.988 -4.581) 7.733 5.754 ( -0.682 0.868 0.209) 1.124 6.055 ( 12.487 -2.335 11.490) 17.129 6.593 ( 5.487 3.969 -0.477) 6.789 6.670 ( -2.762 -1.801 2.972) 4.439 10.210 ( 2.275 -2.449 1.533) 3.678 11.263 ( 16.990 -21.357 0.162) 27.291 12.260 ( -21.110 -9.393 6.551) 24.016 14.044 ( 28.745 27.973 -4.423) 40.352 14.364 ( -16.503 -21.507 -0.868) 27.123 15.499 ( 3.244 15.258 -0.152) 15.600 ======================= Grid point 186 (39/112) ======================= q-point: ( 0.31 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 10.287 5.164 1.993) 11.681 1.750 ( 16.475 -2.958 -0.651) 16.751 2.140 ( 2.321 1.768 -8.088) 8.598 2.545 ( 5.472 2.286 7.386) 9.472 2.827 ( -3.912 13.451 -2.450) 14.221 3.123 ( 16.080 0.193 -1.613) 16.162 3.549 ( 11.120 9.819 -2.084) 14.980 3.645 ( 8.855 -8.210 -1.223) 12.138 4.054 ( 2.529 -3.875 0.608) 4.667 4.564 ( -6.529 9.731 0.041) 11.718 4.901 ( 3.706 9.189 -0.297) 9.912 5.426 ( -4.673 -3.555 -0.707) 5.914 5.474 ( -1.717 0.379 -3.495) 3.913 5.742 ( -0.547 0.428 1.518) 1.669 5.875 ( 9.574 3.251 -6.058) 11.787 6.235 ( 4.349 1.248 12.309) 13.114 6.704 ( 7.649 -0.333 0.963) 7.717 6.778 ( 11.581 2.021 -0.411) 11.763 10.323 ( 9.477 -3.174 1.022) 10.047 11.646 ( 21.590 -26.091 -0.341) 33.868 11.911 ( -15.064 -7.960 -0.665) 17.050 14.002 ( -20.147 -25.281 -1.021) 32.343 14.561 ( 23.360 26.727 -3.053) 35.628 15.535 ( 0.283 17.957 -0.499) 17.966 ======================= Grid point 187 (40/112) ======================= q-point: ( 0.38 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 8.557 -0.207 1.759) 8.739 1.919 ( 2.210 -8.217 -0.874) 8.554 2.233 ( 5.009 8.890 -2.726) 10.562 2.667 ( -6.824 11.652 2.151) 13.673 2.755 ( 13.564 8.806 0.935) 16.198 3.400 ( 8.614 -4.075 -4.855) 10.694 3.726 ( 8.683 10.739 -3.755) 14.311 3.791 ( 5.339 -7.062 -2.593) 9.225 4.038 ( -3.362 -3.794 1.594) 5.313 4.415 ( -8.640 9.648 -0.535) 12.962 4.980 ( 4.343 5.389 -0.199) 6.924 5.319 ( -6.069 -2.385 0.099) 6.522 5.481 ( 2.900 0.910 0.374) 3.063 5.724 ( -1.556 0.771 2.516) 3.057 6.033 ( 6.430 3.072 -3.901) 8.124 6.254 ( -1.252 3.175 4.962) 6.022 6.907 ( 11.247 0.150 1.312) 11.324 7.007 ( 10.108 -0.050 0.698) 10.132 10.581 ( 16.399 -4.816 -0.608) 17.102 11.627 ( -14.640 -8.037 -3.754) 17.117 12.103 ( 24.404 -29.092 -0.627) 37.977 13.575 ( -23.187 -28.130 -1.058) 36.470 14.957 ( 16.896 25.460 -1.923) 30.617 15.507 ( -3.161 20.326 -0.403) 20.574 ======================= Grid point 188 (41/112) ======================= q-point: ( 0.46 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 3.954 -6.109 1.971) 7.539 1.929 ( -0.614 -8.076 1.679) 8.272 2.327 ( 6.080 14.869 1.070) 16.100 2.485 ( -9.445 15.383 1.122) 18.086 3.112 ( 18.430 3.569 -5.050) 19.440 3.397 ( -8.730 -0.428 -7.615) 11.592 3.831 ( 4.162 -3.115 -0.778) 5.256 3.919 ( -2.173 -4.670 -0.414) 5.167 4.005 ( 8.818 6.619 -0.028) 11.026 4.223 ( -10.815 8.965 -1.359) 14.113 5.077 ( 5.530 1.715 0.165) 5.792 5.195 ( -6.323 -0.715 0.267) 6.369 5.572 ( 5.551 1.665 2.155) 6.183 5.671 ( -4.008 1.463 2.652) 5.024 6.136 ( 4.300 3.321 -1.410) 5.613 6.209 ( -3.087 3.513 0.992) 4.781 7.091 ( 6.428 -0.303 0.625) 6.465 7.134 ( 2.259 -0.697 0.730) 2.474 10.941 ( 19.367 -6.698 -2.754) 20.676 11.311 ( -17.650 -7.884 -4.149) 19.771 12.597 ( 25.546 -30.386 -0.823) 39.706 13.098 ( -25.106 -29.965 -0.972) 39.105 15.232 ( 11.272 24.139 -0.940) 26.658 15.409 ( -6.878 22.442 -0.412) 23.476 ======================= Grid point 197 (42/112) ======================= q-point: ( 0.15 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 13.360 13.360 4.788) 19.491 1.448 ( 6.395 6.395 2.359) 9.346 2.044 ( 13.677 13.677 -6.770) 20.493 2.127 ( 9.061 9.061 -7.790) 14.996 2.503 ( 3.444 3.444 1.806) 5.194 3.169 ( 19.246 19.246 4.551) 27.595 3.330 ( 0.355 0.355 1.083) 1.194 3.404 ( 2.452 2.452 3.822) 5.161 3.614 ( 6.056 6.056 1.101) 8.635 4.873 ( 1.908 1.908 -3.040) 4.065 4.955 ( 6.154 6.154 -1.444) 8.822 5.456 ( 15.672 15.672 1.567) 22.220 5.503 ( -4.946 -4.946 -0.887) 7.051 5.667 ( 3.227 3.227 -5.557) 7.191 5.751 ( -0.656 -0.656 -0.110) 0.934 5.846 ( 1.458 1.458 -2.233) 3.039 6.597 ( 3.919 3.919 0.136) 5.544 6.696 ( -4.643 -4.643 5.475) 8.549 10.160 ( -2.284 -2.284 2.609) 4.152 10.815 ( -3.180 -3.180 0.026) 4.497 12.392 ( -19.998 -19.998 10.726) 30.247 14.065 ( 31.305 31.305 -5.341) 44.593 14.293 ( -19.522 -19.522 -1.064) 27.628 15.630 ( 9.974 9.974 0.908) 14.135 ======================= Grid point 198 (43/112) ======================= q-point: ( 0.23 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 15.856 7.931 -0.381) 17.733 1.555 ( 5.479 4.761 2.636) 7.722 2.158 ( 1.773 6.126 -11.557) 13.200 2.413 ( 15.238 3.744 -3.185) 16.011 2.716 ( 16.688 7.562 3.709) 18.693 3.319 ( -0.262 3.502 0.920) 3.631 3.376 ( -2.491 5.934 2.709) 6.982 3.526 ( 16.290 15.444 3.517) 22.721 3.832 ( 11.062 -4.316 1.353) 11.951 4.853 ( -3.006 7.253 -1.569) 8.006 5.044 ( 2.880 8.021 -0.187) 8.525 5.414 ( -3.963 -5.381 -0.970) 6.753 5.563 ( -5.432 2.568 -0.516) 6.030 5.762 ( -0.351 0.567 -0.247) 0.711 5.787 ( 11.455 9.482 -4.692) 15.593 6.021 ( 15.230 -0.088 4.712) 15.943 6.624 ( -1.641 -2.084 2.028) 3.339 6.707 ( 6.951 6.976 -0.053) 9.848 10.148 ( 1.531 -3.448 2.597) 4.580 10.863 ( 7.547 -16.810 -0.073) 18.426 12.011 ( -17.893 -15.044 2.950) 23.562 13.885 ( -22.008 -26.209 -1.239) 34.246 14.657 ( 28.018 31.801 -4.269) 42.597 15.798 ( 6.947 14.276 0.913) 15.903 ======================= Grid point 199 (44/112) ======================= q-point: ( 0.31 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 6.253 3.261 1.934) 7.313 1.694 ( 7.653 -2.340 -1.213) 8.094 2.253 ( 9.369 9.818 -10.953) 17.440 2.660 ( 10.127 9.163 7.753) 15.705 3.036 ( 11.554 5.894 -5.875) 14.238 3.252 ( -1.994 13.668 3.130) 14.163 3.448 ( 7.930 -8.472 0.526) 11.616 3.787 ( 9.487 10.273 -1.132) 14.029 3.975 ( 3.653 -2.962 2.870) 5.510 4.764 ( -6.072 9.240 -0.322) 11.061 5.081 ( 0.938 7.992 0.011) 8.047 5.344 ( -3.485 -4.280 -0.681) 5.561 5.471 ( -2.316 -1.261 -0.179) 2.643 5.744 ( -0.750 -0.473 -0.041) 0.888 5.986 ( 8.592 8.319 -5.503) 13.165 6.288 ( 8.533 4.762 8.328) 12.839 6.673 ( 8.084 -1.924 0.056) 8.310 6.869 ( 9.118 6.664 -0.227) 11.296 10.235 ( 7.542 -5.535 1.565) 9.485 11.093 ( 15.353 -27.287 0.071) 31.310 11.691 ( -15.001 -14.005 -1.386) 20.570 13.427 ( -24.450 -31.754 -1.299) 40.098 15.150 ( 21.919 30.663 -3.354) 37.840 15.901 ( 3.494 18.061 0.990) 18.423 ======================= Grid point 200 (45/112) ======================= q-point: ( 0.38 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.545 -0.542 1.819) 4.021 1.780 ( 2.623 -4.278 0.671) 5.063 2.469 ( 10.097 14.049 -5.339) 18.106 2.842 ( 6.963 9.122 6.221) 13.054 3.049 ( -1.268 16.116 -2.217) 16.317 3.368 ( 7.322 0.848 -3.103) 7.997 3.635 ( 9.093 -7.421 -1.000) 11.779 3.875 ( -0.319 0.313 -2.934) 2.968 4.029 ( 3.788 6.322 2.211) 7.694 4.613 ( -9.260 9.404 -0.755) 13.219 5.088 ( 0.388 4.926 -0.161) 4.944 5.268 ( -4.224 -2.339 -0.143) 4.831 5.495 ( 4.295 0.238 0.995) 4.415 5.732 ( -0.875 -0.443 0.543) 1.121 6.131 ( 6.245 6.895 -3.279) 9.864 6.349 ( -0.447 6.511 2.968) 7.170 6.899 ( 12.181 -0.492 2.264) 12.400 7.041 ( 7.571 3.848 -0.093) 8.493 10.445 ( 13.600 -8.770 0.035) 16.182 11.400 ( -14.806 -14.748 -2.971) 21.108 11.452 ( 20.639 -34.135 0.048) 39.889 12.927 ( -26.199 -35.834 -1.155) 44.405 15.516 ( 15.287 29.020 -2.272) 32.878 15.933 ( -0.245 21.476 0.818) 21.493 ======================= Grid point 201 (46/112) ======================= q-point: ( 0.46 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 1.453 -3.305 2.141) 4.197 1.816 ( 0.495 -2.348 2.799) 3.687 2.635 ( 7.741 15.655 0.529) 17.472 2.791 ( -7.699 14.664 2.499) 16.750 3.225 ( 13.356 7.714 -4.344) 16.023 3.414 ( -3.866 2.252 -5.052) 6.748 3.744 ( 3.313 -4.755 -0.535) 5.820 3.821 ( -4.178 -4.707 0.174) 6.296 4.177 ( 10.892 9.366 -1.434) 14.437 4.406 ( -11.507 8.926 -1.807) 14.675 5.116 ( 2.566 2.131 0.259) 3.346 5.184 ( -4.137 -0.204 0.275) 4.151 5.602 ( 5.664 0.929 1.262) 5.877 5.693 ( -3.276 0.358 0.959) 3.432 6.236 ( 4.544 6.743 -1.463) 8.262 6.311 ( -3.042 6.761 0.205) 7.417 7.089 ( 6.366 0.506 1.690) 6.606 7.137 ( 1.523 1.500 0.650) 2.234 10.752 ( 16.964 -12.247 -1.635) 20.986 11.088 ( -16.722 -14.445 -2.829) 22.277 11.902 ( 24.574 -37.685 -0.254) 44.990 12.407 ( -26.413 -38.027 -0.748) 46.307 15.756 ( 9.301 27.008 -0.985) 28.581 15.889 ( -4.377 24.500 0.153) 24.888 ======================= Grid point 211 (47/112) ======================= q-point: ( 0.23 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 5.651 5.651 -1.879) 8.209 1.642 ( 4.543 4.543 2.784) 7.002 2.279 ( 8.050 8.050 -13.341) 17.539 2.611 ( 13.811 13.811 -3.228) 19.797 2.920 ( 12.348 12.348 8.012) 19.213 3.264 ( -0.737 -0.737 -0.269) 1.077 3.591 ( 3.213 3.213 3.846) 5.953 3.721 ( 4.161 4.161 -1.201) 6.005 3.862 ( 10.742 10.742 5.529) 16.167 4.932 ( 1.025 1.025 -1.299) 1.946 5.163 ( 4.360 4.360 -0.044) 6.166 5.323 ( -3.588 -3.588 -1.086) 5.189 5.501 ( -6.176 -6.176 3.876) 9.555 5.750 ( -1.687 -1.687 -1.314) 2.724 6.053 ( 6.969 6.969 -1.947) 10.046 6.126 ( 17.574 17.574 -0.083) 24.853 6.595 ( -0.495 -0.495 0.024) 0.700 6.861 ( 8.260 8.260 0.741) 11.704 10.095 ( -1.368 -1.368 2.969) 3.544 10.644 ( -5.373 -5.373 -0.180) 7.601 11.697 ( -16.326 -16.326 -0.163) 23.089 13.349 ( -28.138 -28.138 -1.208) 39.812 15.243 ( 27.210 27.210 -3.944) 38.682 16.047 ( 10.902 10.902 1.727) 15.514 ======================= Grid point 212 (48/112) ======================= q-point: ( 0.31 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 2.695 -0.966 -1.138) 3.081 1.733 ( 4.512 3.957 2.755) 6.604 2.503 ( 13.741 14.874 -11.495) 23.285 2.869 ( 10.932 11.065 3.009) 15.843 3.158 ( 10.620 7.614 0.302) 13.071 3.323 ( 7.157 -3.956 1.024) 8.241 3.518 ( -5.762 10.819 3.391) 12.718 3.820 ( 2.814 -4.268 -0.299) 5.121 4.065 ( 8.542 9.490 3.299) 13.188 4.900 ( -4.365 4.406 -0.269) 6.208 5.206 ( -0.468 4.972 0.263) 5.001 5.276 ( -1.681 -2.071 -0.640) 2.743 5.413 ( -0.537 -4.350 1.725) 4.710 5.712 ( -1.648 -2.912 -0.904) 3.466 6.173 ( 6.167 9.179 -1.786) 11.201 6.452 ( 9.341 12.164 1.426) 15.403 6.650 ( 9.598 0.009 -1.649) 9.739 7.020 ( 7.695 8.257 1.352) 11.368 10.115 ( 3.764 -6.272 1.958) 7.572 10.643 ( 4.997 -17.496 0.415) 18.200 11.379 ( -16.008 -17.287 -1.557) 23.612 12.783 ( -29.190 -33.294 -1.035) 44.290 15.714 ( 20.491 25.997 -3.360) 33.272 16.224 ( 7.041 14.518 2.059) 16.266 ======================= Grid point 213 (49/112) ======================= q-point: ( 0.38 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.236 -0.902 0.987) 3.502 1.806 ( 2.513 3.254 2.782) 4.964 2.756 ( 10.527 14.764 -6.188) 19.159 3.034 ( 6.128 9.493 5.662) 12.638 3.289 ( 2.132 7.226 -5.212) 9.161 3.423 ( 1.652 2.751 1.063) 3.381 3.548 ( 9.839 0.780 1.634) 10.004 3.816 ( -2.552 -3.863 0.534) 4.660 4.200 ( 5.938 8.663 -0.099) 10.504 4.763 ( -9.159 5.745 -0.703) 10.835 5.172 ( -1.587 3.991 0.121) 4.296 5.239 ( -2.147 -0.392 -0.237) 2.195 5.480 ( 5.724 -1.776 1.146) 6.102 5.693 ( -0.519 -3.556 -0.722) 3.665 6.290 ( 5.552 8.537 -1.424) 10.282 6.499 ( -0.844 7.977 -0.283) 8.026 6.923 ( 13.724 3.845 0.386) 14.258 7.150 ( 5.077 6.839 1.656) 8.677 10.245 ( 9.377 -11.239 0.655) 14.652 10.831 ( 13.882 -27.694 0.825) 30.990 11.066 ( -15.760 -18.746 -1.589) 24.542 12.208 ( -29.010 -36.603 -0.721) 46.710 16.048 ( 13.504 24.446 -2.301) 28.022 16.322 ( 2.904 17.697 1.696) 18.014 ======================= Grid point 214 (50/112) ======================= q-point: ( 0.46 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 3.290 0.989 2.584) 4.299 1.822 ( -0.950 2.425 2.964) 3.946 2.916 ( 6.824 12.565 0.762) 14.318 3.040 ( -5.041 10.523 3.490) 12.179 3.379 ( 7.363 6.258 -4.749) 10.767 3.465 ( -0.074 1.958 -2.709) 3.343 3.685 ( 3.699 -0.086 0.020) 3.700 3.749 ( -3.591 -2.043 0.890) 4.226 4.345 ( 9.495 7.403 -1.856) 12.182 4.557 ( -11.271 6.258 -1.941) 13.037 5.165 ( 0.755 3.092 0.479) 3.219 5.195 ( -2.111 1.539 0.339) 2.634 5.595 ( 5.240 -1.779 0.571) 5.563 5.670 ( -2.303 -2.812 -0.219) 3.641 6.388 ( 4.374 8.119 -1.178) 9.297 6.460 ( -2.916 7.805 -0.910) 8.381 7.132 ( 7.183 4.351 1.238) 8.489 7.203 ( -0.140 5.212 1.598) 5.453 10.474 ( 13.447 -15.622 -0.292) 20.614 10.760 ( -15.306 -18.434 -1.017) 23.982 11.180 ( 21.362 -34.521 0.523) 40.599 11.657 ( -26.604 -37.303 -0.159) 45.819 16.250 ( 7.130 22.610 -0.845) 23.723 16.335 ( -1.707 20.393 0.636) 20.475 ======================= Grid point 225 (51/112) ======================= q-point: ( 0.31 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 2.289 2.289 0.588) 3.290 1.816 ( 4.141 4.141 2.439) 6.344 2.808 ( 15.178 15.178 -10.279) 23.799 3.062 ( 7.392 7.392 0.482) 10.465 3.296 ( 2.932 2.932 -3.278) 5.285 3.334 ( 8.339 8.339 7.212) 13.824 3.611 ( -1.505 -1.505 5.413) 5.817 3.768 ( 0.130 0.130 -0.165) 0.247 4.233 ( 7.010 7.010 1.309) 9.999 4.930 ( -1.622 -1.622 -0.273) 2.311 5.244 ( 0.240 0.240 -0.961) 1.019 5.320 ( 3.139 3.139 1.428) 4.663 5.324 ( -1.948 -1.948 0.422) 2.787 5.643 ( -3.332 -3.332 -0.651) 4.757 6.327 ( 6.746 6.746 0.323) 9.546 6.623 ( 1.408 1.408 -2.066) 2.869 6.780 ( 15.046 15.046 -2.093) 21.381 7.177 ( 7.296 7.296 2.489) 10.614 10.015 ( -2.965 -2.965 1.458) 4.439 10.414 ( -6.057 -6.057 1.260) 8.658 11.028 ( -17.970 -17.970 -0.866) 25.428 12.131 ( -32.730 -32.730 -0.611) 46.291 16.159 ( 19.101 19.101 -2.914) 27.170 16.467 ( 10.190 10.190 2.436) 14.615 ======================= Grid point 226 (52/112) ======================= q-point: ( 0.38 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 4.904 3.745 2.118) 6.524 1.884 ( 2.417 4.309 2.258) 5.432 3.038 ( 6.347 13.262 -4.216) 15.295 3.175 ( 5.948 4.160 0.397) 7.269 3.362 ( 2.087 0.727 -5.512) 5.939 3.462 ( 2.508 3.879 4.957) 6.775 3.621 ( 6.249 3.055 5.209) 8.690 3.769 ( -0.599 -0.087 0.415) 0.733 4.344 ( 4.901 5.873 -0.714) 7.682 4.832 ( -7.941 0.937 -1.569) 8.149 5.247 ( -0.265 2.759 -0.270) 2.785 5.267 ( -1.508 3.854 0.347) 4.153 5.437 ( 6.078 -2.043 1.147) 6.514 5.604 ( -0.682 -4.863 -0.258) 4.917 6.445 ( 5.291 6.984 0.076) 8.762 6.625 ( -0.711 4.374 -1.731) 4.757 7.067 ( 12.781 10.171 -1.616) 16.414 7.294 ( 4.235 7.301 2.619) 8.838 10.023 ( 3.923 -10.464 0.752) 11.200 10.394 ( 4.000 -16.480 1.952) 17.071 10.686 ( -16.513 -19.347 0.211) 25.437 11.509 ( -30.081 -34.003 -0.147) 45.399 16.464 ( 11.976 17.737 -1.942) 21.490 16.623 ( 5.521 12.754 2.006) 14.041 ======================= Grid point 227 (53/112) ======================= q-point: ( 0.46 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.542 4.869 2.670) 7.174 1.897 ( -1.235 4.863 2.463) 5.590 3.115 ( 3.594 6.857 1.442) 7.874 3.196 ( -3.827 4.986 1.678) 6.506 3.433 ( 5.152 0.373 -3.978) 6.520 3.490 ( -0.196 1.839 0.569) 1.935 3.740 ( 3.318 3.877 1.331) 5.274 3.759 ( -0.081 2.983 0.574) 3.039 4.462 ( 7.773 4.352 -2.001) 9.131 4.646 ( -10.225 2.559 -2.511) 10.835 5.241 ( 0.007 4.392 0.647) 4.440 5.248 ( -0.645 3.868 0.578) 3.964 5.542 ( 4.188 -3.059 0.676) 5.230 5.593 ( -1.108 -4.392 0.135) 4.532 6.535 ( 3.848 6.482 -0.523) 7.556 6.596 ( -2.308 5.599 -1.142) 6.163 7.261 ( 6.766 8.250 -0.013) 10.670 7.332 ( -0.609 7.476 1.646) 7.679 10.160 ( 9.563 -15.511 0.794) 18.239 10.388 ( -13.501 -18.569 0.888) 22.976 10.578 ( 14.806 -26.113 1.514) 30.056 10.968 ( -24.301 -32.123 0.535) 40.282 16.634 ( 5.393 16.344 -0.564) 17.220 16.682 ( 0.406 14.754 0.893) 14.787 ======================= Grid point 239 (54/112) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 5.989 5.989 2.563) 8.849 1.962 ( 3.263 3.263 1.862) 4.976 3.164 ( 0.066 0.066 0.546) 0.554 3.313 ( 9.601 9.601 -4.316) 14.247 3.317 ( -3.891 -3.891 -2.872) 6.208 3.553 ( 2.579 2.579 5.372) 6.493 3.690 ( 5.835 5.835 5.055) 9.677 3.796 ( 2.018 2.018 -0.202) 2.861 4.435 ( 3.764 3.764 -1.191) 5.454 4.790 ( -5.157 -5.157 -2.775) 7.803 5.292 ( 1.730 1.730 -0.294) 2.464 5.332 ( 1.233 1.233 0.125) 1.749 5.436 ( 2.692 2.692 1.959) 4.282 5.535 ( -1.592 -1.592 0.794) 2.388 6.561 ( 4.842 4.842 0.399) 6.859 6.676 ( 1.117 1.117 -1.185) 1.975 7.275 ( 9.864 9.864 -2.135) 14.112 7.418 ( 4.929 4.929 2.172) 7.301 9.878 ( -3.391 -3.391 0.814) 4.864 10.175 ( -6.019 -6.019 2.759) 8.948 10.330 ( -16.295 -16.295 1.857) 23.119 10.889 ( -28.511 -28.511 0.334) 40.322 16.744 ( 10.773 10.773 -1.203) 15.283 16.822 ( 7.440 7.440 1.691) 10.656 ======================= Grid point 240 (55/112) ======================= q-point: ( 0.46 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 507 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 4.419 5.867 2.307) 7.699 1.996 ( -0.188 4.660 1.902) 5.036 3.167 ( 1.192 -0.522 0.267) 1.328 3.223 ( -4.306 -2.011 -0.648) 4.796 3.475 ( 5.851 4.308 -0.700) 7.300 3.551 ( -2.103 3.406 2.724) 4.842 3.807 ( 4.167 3.375 2.335) 5.848 3.833 ( 1.083 3.519 0.389) 3.702 4.518 ( 5.381 1.626 -1.731) 5.882 4.653 ( -7.803 -1.754 -2.637) 8.421 5.315 ( 0.827 2.787 0.228) 2.916 5.330 ( -0.705 3.160 0.580) 3.289 5.502 ( 2.721 -0.440 1.533) 3.154 5.528 ( -0.120 -1.635 1.204) 2.034 6.637 ( 2.907 3.899 0.199) 4.867 6.676 ( -1.055 2.654 -0.367) 2.880 7.426 ( 5.174 7.764 -1.034) 9.387 7.473 ( 0.372 6.244 0.705) 6.294 9.900 ( 5.155 -9.994 1.668) 11.368 10.060 ( -10.957 -14.094 2.535) 18.031 10.166 ( 5.691 -15.649 2.239) 16.802 10.413 ( -19.108 -23.821 0.969) 30.553 16.891 ( 4.202 9.785 -0.190) 10.651 16.913 ( 1.834 8.774 0.872) 9.006 ======================= Grid point 253 (56/112) ======================= q-point: ( 0.46 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 3.209 3.209 1.840) 4.896 2.061 ( 1.489 1.489 1.655) 2.678 3.149 ( -0.428 -0.428 -0.212) 0.641 3.168 ( -2.410 -2.410 -0.540) 3.451 3.558 ( 3.225 3.225 0.566) 4.596 3.589 ( 0.161 0.161 1.362) 1.381 3.869 ( 2.452 2.452 2.826) 4.473 3.883 ( 1.201 1.201 1.614) 2.343 4.544 ( 1.595 1.595 -1.365) 2.637 4.595 ( -3.410 -3.410 -1.809) 5.150 5.346 ( 0.802 0.802 0.001) 1.134 5.355 ( -0.030 -0.030 0.196) 0.200 5.519 ( 1.245 1.245 1.976) 2.647 5.526 ( 0.505 0.505 1.808) 1.943 6.691 ( 1.674 1.674 0.617) 2.447 6.704 ( 0.320 0.320 0.412) 0.612 7.542 ( 3.525 3.525 -1.125) 5.111 7.557 ( 1.926 1.926 -0.419) 2.756 9.793 ( -0.746 -0.746 2.845) 3.034 9.854 ( -6.696 -6.696 3.541) 10.110 9.972 ( -3.483 -3.483 1.886) 5.275 10.054 ( -11.869 -11.869 1.087) 16.820 17.020 ( 3.412 3.412 0.228) 4.831 17.027 ( 2.735 2.735 0.616) 3.917 ======================= Grid point 338 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 0.000 18.535) 18.535 0.758 ( -0.000 -0.000 18.535) 18.535 1.432 ( -0.000 -0.000 -14.292) 14.292 1.432 ( 0.000 0.000 -14.292) 14.292 1.618 ( 0.000 0.000 39.416) 39.416 2.957 ( -0.000 -0.000 -26.250) 26.250 3.119 ( 0.000 0.000 5.433) 5.433 3.119 ( 0.000 0.000 5.433) 5.433 3.747 ( 0.000 0.000 0.532) 0.532 4.516 ( 0.000 0.000 -1.460) 1.460 4.516 ( -0.000 0.000 -1.460) 1.460 4.725 ( 0.000 0.000 -1.177) 1.177 4.725 ( -0.000 0.000 -1.177) 1.177 5.736 ( -0.000 0.000 -0.003) 0.003 5.736 ( 0.000 0.000 -0.003) 0.003 5.833 ( 0.000 0.000 1.783) 1.783 6.830 ( -0.000 -0.000 0.519) 0.519 7.318 ( 0.000 0.000 0.085) 0.085 10.298 ( 0.000 0.000 -1.317) 1.317 10.961 ( -0.000 -0.000 2.221) 2.221 10.961 ( 0.000 0.000 2.221) 2.221 15.061 ( 0.000 0.000 -0.100) 0.100 15.061 ( 0.000 0.000 -0.100) 0.100 16.397 ( 0.000 0.000 0.826) 0.826 ======================= Grid point 339 (58/112) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.941 0.000 16.338) 21.477 1.034 ( 17.944 0.000 14.552) 23.103 1.553 ( 13.034 0.000 -14.209) 19.282 1.580 ( 11.284 0.000 -11.034) 15.782 1.746 ( 17.162 0.000 27.005) 31.997 2.765 ( -9.447 0.000 -13.667) 16.614 3.102 ( -1.698 0.000 5.179) 5.450 3.367 ( 16.204 0.000 1.321) 16.257 3.692 ( -3.130 0.000 -0.555) 3.179 4.531 ( 1.480 0.000 -1.453) 2.074 4.688 ( 13.272 0.000 -6.938) 14.976 4.712 ( -1.317 0.000 -0.858) 1.572 4.981 ( 21.806 0.000 -4.759) 22.319 5.719 ( -1.756 0.000 0.007) 1.756 5.723 ( -1.160 0.000 -0.754) 1.384 5.859 ( 2.888 0.000 2.069) 3.552 6.686 ( -10.804 0.000 0.930) 10.844 7.161 ( -10.766 0.000 3.182) 11.227 10.276 ( -1.889 0.000 -1.153) 2.213 11.026 ( 6.607 0.000 1.921) 6.880 11.701 ( 56.920 0.000 -3.629) 57.036 14.867 ( -38.142 0.000 7.599) 38.892 15.012 ( -5.052 0.000 -0.101) 5.053 15.512 ( -45.899 0.000 13.697) 47.899 ======================= Grid point 340 (59/112) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 10.173 0.000 9.992) 14.259 1.291 ( 10.201 0.000 16.775) 19.633 1.797 ( 10.167 0.000 -8.958) 13.550 1.939 ( 24.256 0.000 -9.991) 26.234 2.248 ( 26.618 0.000 5.872) 27.258 2.680 ( 2.896 0.000 -7.544) 8.081 3.054 ( -3.120 0.000 4.536) 5.505 3.630 ( 2.952 0.000 1.090) 3.146 3.718 ( 12.439 0.000 0.508) 12.450 4.569 ( 2.030 0.000 -1.462) 2.502 4.678 ( -1.773 0.000 -0.011) 1.773 4.976 ( 15.030 0.000 -7.783) 16.926 5.393 ( 16.644 0.000 -4.866) 17.341 5.668 ( -3.407 0.000 0.035) 3.407 5.699 ( -0.927 0.000 -2.228) 2.413 5.984 ( 11.520 0.000 4.342) 12.311 6.535 ( -3.561 0.000 0.744) 3.637 6.950 ( -10.857 0.000 4.122) 11.614 10.240 ( -1.247 0.000 -0.404) 1.311 11.219 ( 12.907 0.000 1.146) 12.958 12.721 ( 40.599 0.000 2.003) 40.649 13.628 ( -57.244 0.000 11.648) 58.417 14.863 ( -9.984 0.000 -0.123) 9.985 15.265 ( -0.496 0.000 0.569) 0.755 ======================= Grid point 341 (60/112) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 9.526 0.000 5.275) 10.889 1.515 ( 13.306 0.000 10.878) 17.187 1.939 ( 4.251 0.000 -10.617) 11.436 2.413 ( 21.216 0.000 -6.460) 22.178 2.556 ( 7.288 0.000 0.530) 7.307 2.967 ( 20.669 0.000 -2.900) 20.871 2.999 ( -1.054 0.000 3.596) 3.747 3.662 ( 2.513 0.000 0.021) 2.513 3.967 ( 10.053 0.000 0.573) 10.069 4.562 ( -3.487 0.000 -0.428) 3.513 4.690 ( 3.598 0.000 -0.056) 3.598 5.242 ( 11.125 0.000 -6.041) 12.659 5.586 ( -4.866 0.000 0.078) 4.867 5.599 ( 6.759 0.000 -2.316) 7.145 5.701 ( 1.306 0.000 -2.990) 3.263 6.315 ( 18.689 0.000 9.443) 20.939 6.544 ( 4.296 0.000 -0.089) 4.297 6.747 ( -8.509 0.000 2.241) 8.799 10.250 ( 2.793 0.000 0.308) 2.810 11.529 ( 18.453 0.000 0.200) 18.454 12.530 ( -35.085 0.000 9.015) 36.224 13.625 ( 32.013 0.000 -5.146) 32.424 14.621 ( -14.651 0.000 -0.205) 14.653 15.277 ( 0.809 0.000 -1.157) 1.412 ======================= Grid point 342 (61/112) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 10.702 0.000 2.767) 11.054 1.803 ( 14.704 0.000 1.843) 14.819 2.001 ( 3.317 0.000 -6.568) 7.358 2.618 ( -1.510 0.000 -1.956) 2.471 2.663 ( 4.225 0.000 5.185) 6.688 3.140 ( 16.267 0.000 0.003) 16.267 3.274 ( 9.085 0.000 -7.508) 11.786 3.738 ( 4.958 0.000 -0.367) 4.972 4.092 ( 2.719 0.000 -0.481) 2.761 4.460 ( -6.516 0.000 0.433) 6.531 4.788 ( 5.955 0.000 -0.183) 5.958 5.394 ( 5.103 0.000 -1.616) 5.353 5.478 ( -6.064 0.000 0.128) 6.065 5.728 ( 3.390 0.000 -1.843) 3.858 5.765 ( 7.911 0.000 -2.424) 8.274 6.455 ( -5.302 0.000 9.200) 10.618 6.682 ( 8.633 0.000 -0.577) 8.652 6.808 ( 15.125 0.000 1.998) 15.256 10.365 ( 9.165 0.000 0.204) 9.168 11.936 ( 22.699 0.000 -0.593) 22.706 11.983 ( -21.556 0.000 -0.397) 21.559 14.199 ( 25.643 0.000 -2.581) 25.773 14.290 ( -18.861 0.000 -0.381) 18.865 15.280 ( -0.768 0.000 -1.469) 1.658 ======================= Grid point 343 (62/112) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 11.895 0.000 1.297) 11.965 2.006 ( 5.712 0.000 -0.806) 5.769 2.118 ( 7.093 0.000 -1.776) 7.312 2.486 ( -9.700 0.000 -0.298) 9.705 2.762 ( 7.375 0.000 4.408) 8.592 3.331 ( -2.514 0.000 -10.789) 11.077 3.502 ( 18.366 0.000 -1.068) 18.397 3.835 ( 4.470 0.000 -1.066) 4.596 4.088 ( -2.636 0.000 -0.436) 2.672 4.307 ( -9.046 0.000 0.497) 9.060 4.917 ( 7.004 0.000 -0.026) 7.004 5.349 ( -6.939 0.000 0.170) 6.941 5.491 ( 5.454 0.000 1.780) 5.738 5.755 ( -0.232 0.000 0.761) 0.795 5.937 ( 8.136 0.000 -2.691) 8.570 6.322 ( -6.774 0.000 4.121) 7.930 6.890 ( 11.434 0.000 -0.836) 11.465 7.070 ( 9.761 0.000 3.161) 10.260 10.608 ( 15.173 0.000 -1.139) 15.215 11.621 ( -16.617 0.000 -4.198) 17.139 12.410 ( 25.219 0.000 -1.037) 25.240 13.883 ( -22.357 0.000 -0.645) 22.366 14.633 ( 18.541 0.000 -1.458) 18.599 15.238 ( -3.659 0.000 -1.132) 3.830 ======================= Grid point 344 (63/112) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 12.415 0.000 0.445) 12.423 2.103 ( 4.599 0.000 2.967) 5.473 2.172 ( -1.437 0.000 2.298) 2.710 2.270 ( -11.872 0.000 0.014) 11.872 2.971 ( 12.642 0.000 -4.562) 13.440 3.203 ( -9.886 0.000 -10.592) 14.489 3.834 ( 15.272 0.000 -0.589) 15.284 3.918 ( 4.334 0.000 -0.442) 4.356 4.010 ( -4.739 0.000 -0.213) 4.744 4.102 ( -11.962 0.000 0.065) 11.962 5.060 ( 7.471 0.000 0.115) 7.472 5.207 ( -7.431 0.000 0.177) 7.433 5.609 ( 6.135 0.000 2.769) 6.731 5.713 ( -3.969 0.000 2.347) 4.610 6.078 ( 6.360 0.000 -1.214) 6.475 6.197 ( -6.007 0.000 1.013) 6.092 7.090 ( 7.915 0.000 -0.268) 7.919 7.170 ( 0.283 0.000 1.402) 1.430 10.941 ( 17.984 0.000 -3.213) 18.269 11.292 ( -17.304 0.000 -4.695) 17.930 12.916 ( 25.875 0.000 -1.113) 25.899 13.417 ( -24.815 0.000 -0.932) 24.832 14.935 ( 12.422 0.000 -0.794) 12.447 15.130 ( -7.518 0.000 -0.726) 7.553 ======================= Grid point 352 (64/112) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 6.007 6.007 18.054) 19.953 1.102 ( 13.369 13.369 8.733) 20.826 1.509 ( 4.422 4.422 -11.704) 13.269 1.694 ( 6.954 6.954 0.460) 9.845 2.033 ( 22.492 22.492 7.847) 32.762 2.714 ( -1.637 -1.637 -10.009) 10.273 3.217 ( 4.631 4.631 4.699) 8.061 3.399 ( 7.301 7.301 1.832) 10.487 3.596 ( -5.913 -5.913 0.811) 8.401 4.659 ( 6.245 6.245 -1.693) 8.993 4.671 ( 3.964 3.964 -5.719) 8.008 4.958 ( 10.702 10.702 0.392) 15.140 5.022 ( 12.727 12.727 -9.774) 20.481 5.664 ( -3.491 -3.491 -0.331) 4.949 5.744 ( 0.293 0.293 -0.992) 1.075 5.866 ( 0.994 0.994 2.055) 2.490 6.618 ( -5.162 -5.162 0.897) 7.355 7.076 ( -7.446 -7.446 3.838) 11.207 10.255 ( -1.801 -1.801 -1.270) 2.846 10.939 ( -1.339 -1.339 2.687) 3.287 12.284 ( 44.027 44.027 -3.180) 62.345 14.414 ( -50.190 -50.190 18.059) 73.240 14.862 ( -10.124 -10.124 -0.444) 14.324 15.388 ( -1.278 -1.278 4.192) 4.565 ======================= Grid point 353 (65/112) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 7.658 2.280 14.802) 16.821 1.358 ( 9.580 6.934 7.283) 13.889 1.754 ( 16.291 -0.842 -8.153) 18.236 1.888 ( 14.316 -0.615 -11.097) 18.123 2.407 ( 12.793 8.235 2.997) 15.506 2.843 ( 16.337 17.471 -1.837) 23.990 3.198 ( -3.506 12.784 3.988) 13.843 3.523 ( -1.279 -8.731 0.359) 8.832 3.666 ( 15.499 -3.253 2.294) 16.002 4.674 ( 0.319 8.647 -2.737) 9.075 4.811 ( 3.174 7.340 -0.525) 8.014 5.095 ( 10.425 15.014 -5.792) 19.174 5.417 ( 17.046 2.678 -4.770) 17.902 5.591 ( -3.752 -5.206 -0.711) 6.456 5.738 ( -0.707 1.521 -1.804) 2.463 5.941 ( 9.075 -4.128 3.820) 10.676 6.550 ( -0.928 1.614 0.660) 1.975 6.903 ( -9.649 -4.547 4.047) 11.409 10.222 ( -1.098 -1.612 -0.435) 1.998 11.022 ( 9.066 -13.632 1.997) 16.493 12.999 ( 4.043 8.887 13.847) 16.943 13.470 ( -15.226 -1.681 -2.669) 15.549 14.637 ( -13.035 -17.216 -0.669) 21.604 15.431 ( 3.570 11.634 0.643) 12.186 ======================= Grid point 354 (66/112) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 11.421 2.751 6.828) 13.588 1.530 ( 9.390 2.338 5.754) 11.259 1.917 ( 3.614 -1.449 -10.922) 11.595 2.317 ( 23.474 -5.196 -6.922) 25.019 2.617 ( 10.205 6.071 1.314) 11.947 3.089 ( -2.533 13.390 1.592) 13.720 3.245 ( 16.009 18.108 1.858) 24.241 3.540 ( 2.955 -9.782 0.330) 10.224 3.932 ( 10.570 -3.158 0.875) 11.066 4.657 ( -2.579 8.242 -0.806) 8.674 4.842 ( 1.598 12.064 0.111) 12.170 5.308 ( 8.872 7.666 -5.400) 12.909 5.510 ( -3.642 -5.571 -0.538) 6.677 5.624 ( 6.411 1.896 -2.668) 7.198 5.729 ( 0.129 1.614 -2.136) 2.680 6.258 ( 19.470 -5.507 8.545) 21.964 6.589 ( 4.884 4.385 -0.103) 6.564 6.721 ( -7.765 -2.539 2.063) 8.426 10.231 ( 2.565 -1.762 0.491) 3.150 11.273 ( 16.109 -20.984 0.769) 26.466 12.400 ( -32.161 -12.806 6.887) 35.295 13.948 ( 31.128 28.174 -4.792) 42.257 14.345 ( -16.698 -22.217 -0.886) 27.806 15.495 ( 2.632 16.524 -0.189) 16.733 ======================= Grid point 355 (67/112) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 9.920 4.471 2.356) 11.134 1.747 ( 11.210 -4.514 0.510) 12.096 1.995 ( 6.186 0.605 -6.471) 8.972 2.654 ( 9.555 3.142 2.974) 10.489 2.784 ( 2.728 9.746 -0.929) 10.163 3.081 ( 7.054 2.652 -2.392) 7.907 3.501 ( 8.854 15.104 -2.158) 17.641 3.635 ( 6.294 -8.729 -0.059) 10.761 4.065 ( 2.980 -2.293 0.457) 3.788 4.565 ( -6.629 9.196 0.078) 11.336 4.895 ( 3.588 9.228 -0.341) 9.907 5.409 ( 0.870 -0.131 -0.555) 1.040 5.436 ( -2.079 -2.012 -0.977) 3.054 5.741 ( 1.590 0.710 -1.165) 2.095 5.789 ( 9.282 2.831 -2.850) 10.114 6.448 ( -3.322 -0.565 8.876) 9.494 6.721 ( 8.655 2.735 0.597) 9.096 6.773 ( 14.548 -2.134 -0.005) 14.703 10.338 ( 8.527 -2.703 0.444) 8.956 11.642 ( 20.997 -25.498 -0.110) 33.030 11.895 ( -20.305 -8.708 -0.860) 22.111 13.981 ( -20.224 -25.948 -0.986) 32.913 14.499 ( 24.660 26.273 -2.902) 36.150 15.525 ( 0.252 19.600 -0.389) 19.605 ======================= Grid point 356 (68/112) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 8.422 0.767 1.850) 8.657 1.901 ( 4.965 -7.689 -0.849) 9.192 2.180 ( 10.382 6.823 -2.333) 12.640 2.682 ( -7.442 15.977 -0.345) 17.629 2.817 ( 7.282 5.510 4.934) 10.379 3.264 ( 5.054 -2.610 -8.366) 10.117 3.652 ( 8.883 10.570 -2.856) 14.100 3.761 ( 6.332 -6.425 -0.849) 9.060 4.063 ( -2.606 -1.697 0.928) 3.245 4.403 ( -9.656 8.549 -0.607) 12.911 4.977 ( 4.732 5.238 -0.140) 7.060 5.321 ( -5.842 -2.570 0.113) 6.383 5.502 ( 5.280 0.911 1.517) 5.568 5.757 ( -0.290 -0.050 0.746) 0.802 5.968 ( 8.212 3.272 -2.608) 9.216 6.339 ( -5.944 1.847 3.480) 7.131 6.920 ( 10.544 2.974 0.048) 10.955 7.039 ( 10.420 -2.773 2.292) 11.024 10.566 ( 14.337 -4.243 -0.835) 14.975 11.546 ( -16.270 -7.513 -3.963) 18.354 12.090 ( 24.115 -28.396 -0.619) 37.259 13.553 ( -23.149 -28.526 -0.985) 36.750 14.918 ( 18.021 24.959 -1.800) 30.837 15.499 ( -3.058 21.632 -0.338) 21.850 ======================= Grid point 357 (69/112) ======================= q-point: ( 0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 4.507 -4.990 2.214) 7.079 1.965 ( 1.170 -7.778 1.786) 8.066 2.350 ( 7.614 13.896 1.168) 15.888 2.512 ( -8.901 16.715 1.410) 18.990 3.014 ( 11.693 4.440 -4.035) 13.142 3.220 ( -7.890 2.028 -9.417) 12.452 3.831 ( 6.886 -2.626 0.793) 7.412 3.895 ( 4.572 -2.500 -1.888) 5.542 4.010 ( 1.479 3.559 0.494) 3.885 4.193 ( -11.465 7.641 -1.577) 13.868 5.081 ( 5.778 1.824 0.190) 6.062 5.200 ( -6.258 -0.631 0.242) 6.294 5.619 ( 6.033 0.771 2.266) 6.490 5.718 ( -3.706 0.294 1.921) 4.185 6.109 ( 6.339 3.263 -1.209) 7.231 6.226 ( -5.684 2.931 0.703) 6.434 7.099 ( 6.716 0.979 0.207) 6.790 7.156 ( 1.326 -1.185 1.295) 2.200 10.883 ( 17.278 -5.823 -2.795) 18.446 11.223 ( -16.904 -6.908 -4.244) 18.747 12.580 ( 25.390 -29.866 -0.818) 39.208 13.078 ( -24.993 -29.888 -0.920) 38.971 15.213 ( 12.092 23.999 -0.908) 26.888 15.400 ( -7.141 23.002 -0.412) 24.088 ======================= Grid point 366 (70/112) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.475 6.475 11.776) 14.917 1.498 ( 6.062 6.062 2.363) 8.893 1.888 ( 1.135 1.135 -15.972) 16.052 1.907 ( 15.457 15.457 -6.337) 22.759 2.574 ( 10.267 10.267 4.291) 15.140 3.256 ( 21.075 21.075 3.743) 30.038 3.364 ( -2.781 -2.781 2.048) 4.434 3.465 ( 4.825 4.825 2.119) 7.145 3.637 ( 4.776 4.776 1.207) 6.862 4.809 ( 3.022 3.022 -3.152) 5.311 4.929 ( 6.759 6.759 -1.109) 9.622 5.481 ( 1.181 1.181 -0.185) 1.681 5.492 ( 9.098 9.098 0.816) 12.892 5.517 ( 11.014 11.014 -6.892) 17.032 5.750 ( -0.185 -0.185 -1.613) 1.635 5.855 ( -1.464 -1.464 2.704) 3.405 6.604 ( 3.947 3.947 0.395) 5.596 6.786 ( -6.752 -6.752 3.460) 10.156 10.190 ( -1.232 -1.232 0.215) 1.755 10.838 ( -3.841 -3.841 2.180) 5.853 12.621 ( -29.969 -29.969 11.257) 43.852 13.943 ( 33.276 33.276 -6.473) 47.502 14.271 ( -19.783 -19.783 -1.067) 27.998 15.648 ( 10.000 10.000 0.736) 14.162 ======================= Grid point 367 (71/112) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 10.663 3.898 4.359) 12.161 1.607 ( 5.442 4.724 2.304) 7.566 1.915 ( 3.513 1.920 -13.116) 13.713 2.317 ( 23.102 6.168 -5.057) 24.441 2.797 ( 11.090 11.801 3.686) 16.609 3.346 ( 1.531 -3.348 1.625) 4.024 3.418 ( -5.072 12.493 1.316) 13.548 3.598 ( 12.973 15.653 3.370) 20.607 3.861 ( 12.063 -2.926 1.436) 12.496 4.821 ( -1.129 6.967 -1.493) 7.214 5.041 ( 3.940 7.593 -0.027) 8.555 5.393 ( -3.837 -5.791 -1.047) 7.026 5.556 ( -5.532 12.784 -0.286) 13.933 5.695 ( 9.113 7.825 -3.551) 12.525 5.746 ( 0.111 0.652 -1.590) 1.722 6.125 ( 22.546 -6.703 5.120) 24.072 6.652 ( -4.879 -3.040 0.546) 5.774 6.714 ( 5.958 7.031 0.836) 9.254 10.188 ( 1.472 -2.359 1.214) 3.034 10.874 ( 7.073 -17.132 1.126) 18.569 12.072 ( -24.488 -19.093 2.936) 31.190 13.859 ( -22.123 -26.327 -1.233) 34.410 14.566 ( 29.222 32.137 -4.365) 43.655 15.817 ( 7.098 15.325 0.923) 16.914 ======================= Grid point 368 (72/112) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 7.471 -2.620 -1.146) 7.999 1.718 ( 5.773 3.499 2.249) 7.115 2.074 ( 12.963 8.070 -7.206) 16.885 2.735 ( 17.362 5.297 -0.018) 18.152 2.973 ( 6.628 10.290 -0.104) 12.240 3.290 ( -4.811 15.326 1.080) 16.099 3.460 ( 7.485 -7.871 0.571) 10.876 3.769 ( 4.843 9.907 -0.725) 11.051 4.029 ( 4.663 0.086 2.347) 5.221 4.758 ( -5.660 9.164 -0.206) 10.773 5.081 ( 0.368 8.553 0.060) 8.561 5.329 ( -2.981 -4.772 -0.719) 5.672 5.469 ( -1.168 1.707 -0.024) 2.069 5.737 ( 0.132 -1.249 -0.564) 1.377 5.900 ( 9.858 9.104 -3.265) 13.810 6.443 ( 2.879 0.459 7.252) 7.816 6.665 ( 12.371 -4.511 -1.090) 13.213 6.866 ( 8.728 8.231 -0.104) 11.998 10.263 ( 6.434 -4.780 1.115) 8.093 11.097 ( 15.156 -26.984 0.376) 30.951 11.660 ( -17.999 -14.568 -1.534) 23.207 13.401 ( -24.380 -31.690 -1.231) 40.002 15.080 ( 22.953 30.423 -3.307) 38.253 15.922 ( 3.492 19.453 1.032) 19.791 ======================= Grid point 369 (73/112) ======================= q-point: ( 0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 4.927 -4.379 0.049) 6.592 1.822 ( 4.335 1.193 2.498) 5.143 2.374 ( 15.749 12.341 -4.006) 20.406 2.965 ( 6.752 8.771 5.441) 12.334 3.005 ( -3.399 14.742 -1.254) 15.180 3.285 ( 3.620 5.350 -5.079) 8.217 3.621 ( 7.778 -6.386 -0.366) 10.070 3.822 ( 1.572 4.241 -2.279) 5.065 4.068 ( 0.829 3.823 1.690) 4.261 4.593 ( -10.712 9.624 -1.090) 14.441 5.085 ( 0.771 5.127 -0.131) 5.187 5.265 ( -3.658 -2.673 -0.188) 4.535 5.517 ( 5.069 0.327 1.121) 5.202 5.740 ( -0.256 -1.942 0.234) 1.972 6.075 ( 7.791 7.683 -2.277) 11.177 6.398 ( -3.932 4.130 1.870) 6.001 6.950 ( 12.584 -2.088 2.668) 13.032 7.038 ( 8.040 5.450 -0.337) 9.719 10.445 ( 11.871 -7.937 -0.084) 14.280 11.336 ( -15.601 -13.506 -3.163) 20.876 11.453 ( 20.595 -33.475 0.047) 39.303 12.905 ( -25.871 -35.580 -1.009) 44.003 15.469 ( 16.588 28.768 -2.207) 33.281 15.951 ( -0.682 22.634 0.829) 22.660 ======================= Grid point 370 (74/112) ======================= q-point: ( 0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 2.902 -3.215 2.395) 4.950 1.874 ( 0.742 -1.395 2.783) 3.200 2.647 ( 11.760 15.536 0.623) 19.495 2.850 ( -9.146 16.558 3.205) 19.185 3.139 ( 9.099 7.750 -3.552) 12.469 3.288 ( -4.541 4.765 -7.226) 9.774 3.743 ( 4.983 -4.899 0.315) 6.995 3.823 ( -2.488 -3.945 -0.024) 4.664 4.148 ( 8.506 8.575 -1.271) 12.145 4.363 ( -12.074 8.823 -2.297) 15.129 5.121 ( 2.836 2.233 0.278) 3.620 5.189 ( -3.858 -0.265 0.225) 3.874 5.628 ( 5.445 -0.095 1.221) 5.581 5.712 ( -2.811 -1.211 0.816) 3.168 6.208 ( 5.930 6.740 -1.217) 9.060 6.313 ( -4.755 5.782 -0.031) 7.486 7.126 ( 5.110 0.850 1.834) 5.496 7.150 ( 2.613 2.136 0.522) 3.415 10.717 ( 15.291 -10.870 -1.724) 18.840 11.027 ( -15.872 -12.741 -2.998) 20.572 11.897 ( 24.167 -36.948 -0.210) 44.150 12.393 ( -25.913 -37.527 -0.608) 45.608 15.736 ( 10.649 27.063 -0.950) 29.099 15.892 ( -5.366 25.099 0.156) 25.667 ======================= Grid point 380 (75/112) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.007 4.007 -0.813) 5.725 1.699 ( 4.632 4.632 2.732) 7.098 2.029 ( 10.286 10.286 -11.326) 18.436 2.546 ( 15.794 15.794 -2.969) 22.532 3.046 ( 12.116 12.116 4.679) 17.762 3.266 ( -1.416 -1.416 0.334) 2.030 3.662 ( 3.473 3.473 2.928) 5.718 3.712 ( 2.597 2.597 0.037) 3.673 3.960 ( 10.875 10.875 4.169) 15.934 4.908 ( 1.973 1.973 -1.057) 2.984 5.164 ( 5.052 5.052 0.162) 7.146 5.298 ( -3.517 -3.517 -1.306) 5.143 5.575 ( -6.670 -6.670 3.153) 9.946 5.724 ( -1.266 -1.266 -1.101) 2.102 6.018 ( 8.673 8.673 -1.414) 12.346 6.125 ( 16.263 16.263 -0.031) 22.999 6.592 ( -2.394 -2.394 -0.236) 3.394 6.876 ( 8.826 8.826 0.752) 12.504 10.148 ( -1.354 -1.354 2.130) 2.864 10.648 ( -5.461 -5.461 0.599) 7.747 11.693 ( -18.756 -18.756 -0.191) 26.526 13.323 ( -28.005 -28.005 -1.211) 39.623 15.160 ( 27.662 27.662 -3.984) 39.322 16.083 ( 11.557 11.557 1.744) 16.436 ======================= Grid point 381 (76/112) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 4.596 0.514 -1.141) 4.763 1.790 ( 4.395 3.745 2.627) 6.343 2.304 ( 16.726 14.646 -8.313) 23.736 2.877 ( 16.207 9.144 -1.045) 18.638 3.181 ( 1.886 8.879 1.499) 9.201 3.356 ( 9.568 -1.467 1.924) 9.869 3.572 ( -5.923 11.804 2.005) 13.358 3.821 ( 3.022 -2.706 0.341) 4.071 4.125 ( 5.403 7.753 2.494) 9.774 4.897 ( -3.635 4.612 -0.028) 5.872 5.215 ( -0.749 4.575 0.694) 4.688 5.259 ( -1.266 -1.085 -1.094) 1.994 5.447 ( -2.295 -4.243 1.467) 5.042 5.694 ( -1.352 -3.056 -0.802) 3.437 6.135 ( 6.380 12.946 -1.828) 14.548 6.491 ( 8.012 5.373 2.645) 10.003 6.608 ( 11.407 -0.622 -2.654) 11.728 7.047 ( 8.191 9.683 1.207) 12.740 10.155 ( 2.501 -6.100 1.805) 6.835 10.653 ( 5.531 -17.053 0.542) 17.936 11.345 ( -16.668 -16.935 -1.605) 23.816 12.762 ( -28.911 -32.901 -1.003) 43.810 15.643 ( 21.367 26.194 -3.366) 33.971 16.267 ( 7.042 15.316 2.061) 16.983 ======================= Grid point 382 (77/112) ======================= q-point: ( 0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 5.552 0.456 1.155) 5.689 1.862 ( 2.654 2.848 2.588) 4.675 2.646 ( 17.051 14.998 -4.723) 23.194 3.121 ( 7.670 6.334 2.539) 10.267 3.211 ( 1.191 6.176 -2.055) 6.617 3.446 ( -3.059 7.747 1.306) 8.431 3.563 ( 7.460 2.575 -0.059) 7.892 3.827 ( -1.903 -1.933 0.455) 2.751 4.198 ( 3.331 7.532 -0.012) 8.236 4.748 ( -10.893 5.594 -0.773) 12.270 5.175 ( -1.407 4.257 0.107) 4.484 5.232 ( -1.425 -0.371 -0.464) 1.544 5.503 ( 5.451 -1.869 0.986) 5.847 5.680 ( -0.200 -3.909 -0.503) 3.946 6.259 ( 5.921 10.291 -1.501) 11.967 6.495 ( -1.953 5.370 -0.130) 5.715 6.932 ( 15.081 1.565 0.452) 15.169 7.183 ( 5.218 8.420 1.518) 10.021 10.259 ( 8.114 -10.804 0.608) 13.525 10.848 ( 13.975 -26.672 0.833) 30.123 11.032 ( -15.405 -16.939 -1.729) 22.962 12.194 ( -28.498 -36.026 -0.594) 45.939 16.000 ( 14.904 24.601 -2.277) 28.854 16.358 ( 2.124 18.358 1.695) 18.558 ======================= Grid point 383 (78/112) ======================= q-point: ( 0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 4.198 1.254 2.674) 5.133 1.882 ( -0.782 2.071 2.818) 3.583 2.939 ( 12.126 13.691 1.404) 18.343 3.124 ( -6.595 10.289 4.752) 13.112 3.280 ( 6.447 5.349 -4.688) 9.600 3.392 ( -3.775 5.266 -4.682) 7.994 3.686 ( 4.791 0.228 0.145) 4.799 3.768 ( -3.697 -1.122 0.898) 3.967 4.307 ( 8.311 7.105 -1.764) 11.076 4.513 ( -11.975 6.070 -2.256) 13.614 5.174 ( 0.920 3.305 0.359) 3.450 5.200 ( -1.637 1.648 0.174) 2.329 5.607 ( 4.506 -2.079 0.568) 4.995 5.667 ( -1.614 -3.203 -0.060) 3.587 6.363 ( 4.668 8.514 -1.159) 9.779 6.442 ( -3.357 7.011 -0.792) 7.814 7.158 ( 7.711 3.342 1.206) 8.490 7.235 ( -0.335 5.887 1.505) 6.085 10.466 ( 12.535 -14.322 -0.468) 19.039 10.736 ( -14.600 -16.397 -1.240) 21.990 11.193 ( 20.803 -33.493 0.654) 39.433 11.655 ( -25.871 -36.538 0.036) 44.770 16.232 ( 8.777 22.839 -0.814) 24.481 16.348 ( -3.124 20.811 0.651) 21.054 ======================= Grid point 394 (79/112) ======================= q-point: ( 0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.289 4.289 0.701) 6.105 1.865 ( 3.762 3.762 2.249) 5.777 2.623 ( 17.187 17.187 -7.845) 25.541 3.070 ( 9.250 9.250 0.347) 13.086 3.244 ( 0.428 0.428 -1.863) 1.959 3.454 ( 8.206 8.206 4.780) 12.551 3.709 ( -0.249 -0.249 4.175) 4.190 3.765 ( 0.401 0.401 -0.087) 0.573 4.254 ( 4.853 4.853 0.740) 6.903 4.927 ( -2.224 -2.224 -0.103) 3.147 5.230 ( 0.567 0.567 -0.392) 0.893 5.333 ( -3.410 -3.410 0.462) 4.845 5.343 ( 3.693 3.693 0.904) 5.301 5.630 ( -2.836 -2.836 -0.604) 4.056 6.334 ( 7.108 7.108 0.314) 10.056 6.583 ( 1.301 1.301 -1.776) 2.557 6.735 ( 14.407 14.407 -2.163) 20.489 7.226 ( 8.007 8.007 2.175) 11.531 10.046 ( -3.872 -3.872 1.464) 5.668 10.440 ( -4.981 -4.981 1.257) 7.156 11.010 ( -16.895 -16.895 -0.865) 23.909 12.118 ( -32.266 -32.266 -0.612) 45.636 16.098 ( 19.864 19.864 -2.926) 28.244 16.519 ( 10.165 10.165 2.430) 14.579 ======================= Grid point 395 (80/112) ======================= q-point: ( 0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 5.996 4.571 2.197) 7.854 1.929 ( 2.423 3.728 2.041) 4.892 2.951 ( 15.039 15.553 -4.108) 22.021 3.191 ( 3.557 0.639 1.244) 3.822 3.275 ( 1.890 1.332 -3.609) 4.286 3.567 ( 0.936 6.122 5.448) 8.248 3.682 ( 1.848 6.176 0.746) 6.490 3.788 ( 0.292 -1.573 1.517) 2.205 4.327 ( 3.294 5.250 -0.951) 6.271 4.801 ( -9.676 -0.451 -1.430) 9.791 5.246 ( 0.606 2.589 0.178) 2.665 5.268 ( -1.293 4.211 -0.143) 4.408 5.460 ( 5.871 -1.673 1.054) 6.196 5.600 ( -0.281 -3.783 -0.108) 3.795 6.445 ( 4.673 8.034 -0.077) 9.295 6.592 ( -0.201 4.178 -1.404) 4.412 7.033 ( 14.197 8.486 -1.594) 16.617 7.346 ( 3.828 7.572 2.350) 8.804 10.038 ( 3.419 -10.619 0.652) 11.175 10.436 ( 4.290 -15.166 2.042) 15.893 10.689 ( -15.511 -17.343 0.142) 23.268 11.506 ( -29.459 -33.475 -0.096) 44.592 16.424 ( 13.282 18.327 -1.938) 22.717 16.665 ( 4.661 12.750 2.012) 13.724 ======================= Grid point 396 (81/112) ======================= q-point: ( 0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.515 4.596 2.577) 6.939 1.947 ( -0.856 4.189 2.250) 4.831 3.155 ( 5.537 6.321 2.603) 8.797 3.229 ( -2.000 1.225 1.462) 2.764 3.347 ( 8.479 3.462 -4.587) 10.243 3.506 ( -6.069 6.427 0.983) 8.894 3.747 ( 2.883 4.634 -0.266) 5.464 3.783 ( -0.844 2.377 1.402) 2.886 4.420 ( 6.827 4.359 -1.943) 8.330 4.594 ( -10.365 2.099 -2.427) 10.851 5.253 ( 0.247 4.300 0.515) 4.338 5.258 ( -0.240 4.296 0.322) 4.314 5.557 ( 3.644 -2.529 0.747) 4.498 5.598 ( -0.621 -3.442 0.282) 3.509 6.523 ( 3.268 7.296 -0.623) 8.019 6.573 ( -1.789 5.948 -1.018) 6.294 7.261 ( 8.618 6.841 0.033) 11.003 7.366 ( -2.020 6.923 1.548) 7.376 10.174 ( 9.839 -14.598 0.509) 17.612 10.405 ( -13.297 -16.600 0.663) 21.279 10.613 ( 13.857 -24.979 1.770) 28.620 10.981 ( -23.287 -31.477 0.732) 39.162 16.622 ( 6.983 16.694 -0.545) 18.104 16.701 ( -1.036 14.880 0.912) 14.944 ======================= Grid point 408 (82/112) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 5.943 5.943 2.464) 8.758 1.999 ( 3.056 3.056 1.665) 4.632 3.177 ( -0.593 -0.593 0.828) 1.179 3.243 ( 13.004 13.004 -2.715) 18.589 3.265 ( -2.089 -2.089 -2.347) 3.773 3.655 ( 0.936 0.936 4.951) 5.125 3.783 ( 2.174 2.174 -1.353) 3.359 3.784 ( 4.253 4.253 4.002) 7.224 4.408 ( 3.368 3.368 -1.415) 4.970 4.734 ( -5.866 -5.866 -2.570) 8.685 5.297 ( 2.220 2.220 0.739) 3.225 5.334 ( 1.722 1.722 0.102) 2.437 5.468 ( 2.630 2.630 1.135) 3.889 5.551 ( -0.908 -0.908 0.787) 1.506 6.570 ( 4.833 4.833 0.467) 6.851 6.652 ( 1.899 1.899 -1.132) 2.914 7.230 ( 10.351 10.351 -2.187) 14.800 7.462 ( 3.895 3.895 2.023) 5.869 9.893 ( -3.058 -3.058 0.640) 4.371 10.235 ( -5.670 -5.670 2.940) 8.540 10.368 ( -14.896 -14.896 1.827) 21.145 10.896 ( -28.013 -28.013 0.335) 39.618 16.719 ( 11.739 11.739 -1.203) 16.645 16.857 ( 6.799 6.799 1.704) 9.766 ======================= Grid point 409 (83/112) ======================= q-point: ( 0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 508 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 3.918 5.316 2.104) 6.931 2.033 ( 0.091 4.196 1.693) 4.526 3.173 ( 0.680 -1.687 0.312) 1.846 3.209 ( -2.774 -2.695 -0.693) 3.929 3.467 ( 9.158 6.852 -0.135) 11.439 3.605 ( -4.982 2.775 2.572) 6.256 3.836 ( 2.513 4.357 -0.084) 5.031 3.852 ( 1.466 4.311 1.963) 4.958 4.482 ( 4.699 2.090 -1.744) 5.431 4.600 ( -6.992 -1.320 -2.457) 7.528 5.329 ( 1.116 3.084 1.091) 3.456 5.344 ( -0.350 3.367 0.760) 3.470 5.527 ( 2.436 -0.124 0.928) 2.610 5.550 ( -0.020 -1.075 0.930) 1.422 6.641 ( 2.448 4.611 0.175) 5.223 6.668 ( -0.300 3.592 -0.425) 3.629 7.405 ( 6.900 7.113 -1.012) 9.961 7.488 ( -1.434 5.043 0.713) 5.292 9.931 ( 6.445 -9.022 1.307) 11.165 10.112 ( -11.228 -12.512 2.377) 16.978 10.217 ( 4.396 -15.270 2.607) 16.103 10.435 ( -17.927 -23.637 1.115) 29.687 16.887 ( 5.363 10.213 -0.184) 11.537 16.932 ( 0.774 8.607 0.885) 8.687 ======================= Grid point 422 (84/112) ======================= q-point: ( 0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.813 2.813 1.625) 4.298 2.093 ( 1.452 1.452 1.455) 2.516 3.144 ( -0.677 -0.677 -0.189) 0.976 3.157 ( -1.956 -1.956 -0.534) 2.817 3.571 ( 3.602 3.602 0.676) 5.138 3.616 ( -1.115 -1.115 1.276) 2.029 3.912 ( 2.771 2.771 1.176) 4.092 3.922 ( 1.954 1.954 2.214) 3.541 4.515 ( 1.690 1.690 -1.382) 2.761 4.557 ( -2.511 -2.511 -1.764) 3.965 5.367 ( 1.025 1.025 1.922) 2.407 5.376 ( 0.222 0.222 1.714) 1.742 5.544 ( 1.092 1.092 0.455) 1.610 5.550 ( 0.424 0.424 0.571) 0.828 6.704 ( 1.812 1.812 0.614) 2.635 6.712 ( 0.929 0.929 0.355) 1.360 7.518 ( 3.915 3.915 -1.135) 5.652 7.549 ( 0.852 0.852 -0.397) 1.268 9.848 ( 0.814 0.814 2.413) 2.674 9.929 ( -6.288 -6.288 3.562) 9.579 10.017 ( -4.637 -4.637 2.350) 6.966 10.077 ( -11.619 -11.619 1.085) 16.468 17.025 ( 3.858 3.858 0.228) 5.461 17.040 ( 2.367 2.367 0.621) 3.405 ======================= Grid point 507 (85/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 0.000 0.000 0.000) 0.000 1.035 ( -0.000 -0.000 0.000) 0.000 1.195 ( 0.000 0.000 -0.000) 0.000 1.195 ( 0.000 -0.000 -0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 -0.000) 0.000 3.176 ( -0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.499 ( -0.000 0.000 0.000) 0.000 4.714 ( -0.000 -0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 -0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 10.984 ( -0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 16.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 509 (86/112) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 2.685 0.000 0.000) 2.685 1.293 ( 23.051 0.000 -0.000) 23.051 1.298 ( 20.284 0.000 0.000) 20.284 1.314 ( 10.772 0.000 -0.000) 10.772 2.225 ( 4.367 0.000 0.000) 4.367 2.444 ( -2.693 0.000 -0.000) 2.693 3.156 ( -1.983 0.000 0.000) 1.983 3.383 ( 17.170 0.000 0.000) 17.170 3.688 ( -4.351 0.000 0.000) 4.351 4.515 ( 1.511 0.000 0.000) 1.511 4.624 ( 11.374 0.000 0.000) 11.374 4.704 ( -1.001 0.000 0.000) 1.001 4.941 ( 20.079 0.000 0.000) 20.079 5.715 ( -1.895 0.000 0.000) 1.895 5.719 ( -1.745 0.000 0.000) 1.745 5.881 ( 3.358 0.000 0.000) 3.358 6.696 ( -10.586 0.000 0.000) 10.586 7.188 ( -9.626 0.000 0.000) 9.626 10.263 ( -1.677 0.000 0.000) 1.677 11.046 ( 6.299 0.000 0.000) 6.299 11.676 ( 55.753 0.000 0.000) 55.753 14.925 ( -25.354 0.000 0.000) 25.354 15.011 ( -5.055 0.000 0.000) 5.055 15.640 ( -52.042 0.000 0.000) 52.042 ======================= Grid point 511 (87/112) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.219 0.000 0.000) 5.219 1.546 ( 11.193 0.000 0.000) 11.193 1.599 ( 8.823 0.000 -0.000) 8.823 1.820 ( 28.431 0.000 0.000) 28.431 2.438 ( 3.217 0.000 0.000) 3.217 2.494 ( 21.854 0.000 -0.000) 21.854 3.100 ( -3.570 0.000 0.000) 3.570 3.638 ( -0.444 0.000 0.000) 0.444 3.724 ( 15.759 0.000 -0.000) 15.759 4.554 ( 2.130 0.000 0.000) 2.130 4.678 ( -1.334 0.000 0.000) 1.334 4.897 ( 15.302 0.000 0.000) 15.302 5.350 ( 17.637 0.000 0.000) 17.637 5.668 ( -3.388 0.000 0.000) 3.388 5.675 ( -1.745 0.000 0.000) 1.745 6.028 ( 13.432 0.000 0.000) 13.432 6.544 ( -3.814 0.000 0.000) 3.814 6.988 ( -10.790 0.000 0.000) 10.790 10.234 ( -0.817 0.000 0.000) 0.817 11.231 ( 12.418 0.000 0.000) 12.418 12.744 ( 48.689 0.000 0.000) 48.689 13.743 ( -68.945 0.000 0.000) 68.945 14.862 ( -10.008 0.000 0.000) 10.008 15.269 ( -2.194 0.000 0.000) 2.194 ======================= Grid point 513 (88/112) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 7.567 0.000 0.000) 7.567 1.718 ( 5.178 0.000 0.001) 5.178 1.738 ( 8.877 0.000 -0.001) 8.877 2.345 ( 23.032 0.000 0.000) 23.032 2.566 ( 8.422 0.000 0.000) 8.422 2.934 ( 19.521 0.000 0.000) 19.521 3.034 ( -1.902 0.000 0.000) 1.902 3.663 ( 2.703 0.000 0.000) 2.703 3.972 ( 9.206 0.000 -0.000) 9.206 4.557 ( -2.710 0.000 0.000) 2.710 4.689 ( 3.318 0.000 0.000) 3.318 5.184 ( 12.831 0.000 0.000) 12.831 5.583 ( 7.952 0.000 0.000) 7.952 5.587 ( -4.841 0.000 0.000) 4.841 5.663 ( 0.862 0.000 -0.000) 0.862 6.410 ( 22.854 0.000 0.000) 22.854 6.543 ( 3.259 0.000 0.000) 3.259 6.769 ( -11.122 0.000 0.000) 11.122 10.251 ( 3.027 0.000 0.000) 3.027 11.531 ( 17.964 0.000 0.000) 17.964 12.630 ( -43.494 0.000 0.000) 43.494 13.567 ( 35.653 0.000 0.000) 35.653 14.618 ( -14.718 0.000 0.000) 14.718 15.264 ( 0.430 0.000 0.000) 0.430 ======================= Grid point 515 (89/112) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 9.668 0.000 0.000) 9.668 1.839 ( 7.386 0.000 0.000) 7.386 1.918 ( 9.607 0.000 -0.000) 9.607 2.597 ( 0.560 0.000 0.000) 0.560 2.717 ( 6.335 0.000 0.000) 6.335 3.140 ( 14.561 0.000 0.000) 14.561 3.192 ( 6.341 0.000 0.000) 6.341 3.736 ( 4.433 0.000 0.000) 4.433 4.086 ( 2.553 0.000 0.000) 2.553 4.465 ( -6.312 0.000 0.000) 6.312 4.786 ( 6.015 0.000 0.000) 6.015 5.382 ( 7.599 0.000 0.000) 7.599 5.479 ( -6.037 0.000 0.000) 6.037 5.708 ( 3.177 0.000 0.000) 3.177 5.739 ( 8.603 0.000 0.000) 8.603 6.545 ( -9.448 0.000 -0.000) 9.448 6.677 ( 8.058 0.000 0.000) 8.058 6.831 ( 18.434 0.000 0.000) 18.434 10.366 ( 8.828 0.000 0.000) 8.828 11.930 ( 22.359 0.000 0.000) 22.359 11.978 ( -24.839 0.000 0.000) 24.839 14.173 ( 26.431 0.000 0.000) 26.431 14.286 ( -18.982 0.000 0.000) 18.982 15.265 ( -0.707 0.000 0.000) 0.707 ======================= Grid point 517 (90/112) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 11.289 0.000 0.000) 11.289 1.999 ( 8.356 0.000 -0.000) 8.356 2.098 ( 7.779 0.000 0.000) 7.779 2.483 ( -9.426 0.000 0.000) 9.426 2.820 ( 4.781 0.000 0.000) 4.781 3.205 ( -3.927 0.000 0.000) 3.927 3.490 ( 18.449 0.000 0.000) 18.449 3.826 ( 4.534 0.000 0.000) 4.534 4.083 ( -2.513 0.000 0.000) 2.513 4.313 ( -9.166 0.000 0.000) 9.166 4.916 ( 7.094 0.000 0.000) 7.094 5.351 ( -6.924 0.000 0.000) 6.924 5.514 ( 6.432 0.000 0.000) 6.432 5.757 ( 1.072 0.000 0.000) 1.072 5.911 ( 8.414 0.000 0.000) 8.414 6.363 ( -8.556 0.000 -0.000) 8.556 6.880 ( 11.448 0.000 0.000) 11.448 7.105 ( 9.096 0.000 0.000) 9.096 10.595 ( 14.218 0.000 0.000) 14.218 11.576 ( -17.624 0.000 0.000) 17.624 12.400 ( 25.085 0.000 0.000) 25.085 13.876 ( -22.513 0.000 0.000) 22.513 14.618 ( 19.000 0.000 0.000) 19.000 15.226 ( -3.418 0.000 0.000) 3.418 ======================= Grid point 519 (91/112) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 12.087 0.000 0.000) 12.087 2.142 ( 5.484 0.000 -0.000) 5.484 2.190 ( 1.101 0.000 0.000) 1.101 2.271 ( -11.714 0.000 0.000) 11.714 2.932 ( 6.859 0.000 0.000) 6.859 3.081 ( -7.743 0.000 0.000) 7.743 3.828 ( 15.618 0.000 0.000) 15.618 3.914 ( 4.588 0.000 0.000) 4.588 4.007 ( -4.662 0.000 0.000) 4.662 4.102 ( -12.275 0.000 0.000) 12.275 5.061 ( 7.524 0.000 0.000) 7.524 5.209 ( -7.442 0.000 0.000) 7.442 5.639 ( 6.059 0.000 0.000) 6.059 5.735 ( -3.286 0.000 0.000) 3.286 6.065 ( 7.355 0.000 0.000) 7.355 6.208 ( -7.373 0.000 -0.000) 7.373 7.087 ( 8.570 0.000 0.000) 8.570 7.185 ( -0.812 0.000 0.000) 0.812 10.907 ( 16.917 0.000 0.000) 16.917 11.242 ( -16.908 0.000 0.000) 16.908 12.904 ( 25.916 0.000 0.000) 25.916 13.407 ( -24.953 0.000 0.000) 24.953 14.927 ( 12.616 0.000 0.000) 12.616 15.122 ( -7.401 0.000 0.000) 7.401 ======================= Grid point 535 (92/112) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 11.271 11.271 0.000) 15.940 1.305 ( 4.913 4.913 -0.000) 6.948 1.352 ( 6.216 6.216 0.000) 8.790 1.539 ( 8.995 8.995 -0.000) 12.721 2.372 ( 16.260 16.260 0.000) 22.996 2.430 ( -0.435 -0.435 -0.000) 0.615 3.266 ( 4.343 4.343 0.000) 6.142 3.418 ( 7.980 7.980 0.000) 11.286 3.604 ( -5.921 -5.921 0.000) 8.374 4.611 ( 4.323 4.323 0.000) 6.114 4.642 ( 6.324 6.324 0.000) 8.943 4.937 ( 10.993 10.993 0.000) 15.546 4.962 ( 11.262 11.262 0.000) 15.927 5.661 ( -3.651 -3.651 0.000) 5.164 5.734 ( -0.145 -0.145 0.000) 0.205 5.888 ( 1.198 1.198 0.000) 1.695 6.628 ( -5.190 -5.190 0.000) 7.340 7.110 ( -7.015 -7.015 0.000) 9.920 10.238 ( -1.778 -1.778 0.000) 2.515 10.970 ( -1.127 -1.127 0.000) 1.594 12.259 ( 45.423 45.423 0.000) 64.238 14.576 ( -47.304 -47.304 0.000) 66.898 14.857 ( -10.287 -10.287 0.000) 14.548 15.430 ( -5.759 -5.759 0.000) 8.145 ======================= Grid point 537 (93/112) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 4.141 6.955 0.000) 8.094 1.540 ( 9.983 -0.329 0.000) 9.989 1.598 ( 6.538 0.566 -0.000) 6.563 1.711 ( 22.252 -4.577 -0.000) 22.717 2.476 ( 5.732 4.326 0.000) 7.181 2.803 ( 23.947 24.595 -0.000) 34.327 3.240 ( -3.774 12.619 0.000) 13.171 3.525 ( -1.504 -8.559 0.000) 8.690 3.690 ( 15.048 -3.160 -0.000) 15.376 4.645 ( 1.255 7.813 0.000) 7.913 4.805 ( 4.784 6.227 0.000) 7.853 5.034 ( 9.249 17.527 0.000) 19.818 5.378 ( 18.131 3.001 0.000) 18.378 5.583 ( -4.062 -5.315 0.000) 6.689 5.718 ( -1.126 1.314 0.000) 1.731 5.981 ( 10.869 -4.541 0.000) 11.779 6.558 ( -1.149 1.491 0.000) 1.882 6.941 ( -9.782 -4.609 0.000) 10.813 10.213 ( -0.462 -1.695 0.000) 1.757 11.046 ( 8.358 -12.884 0.000) 15.358 13.154 ( 42.461 34.212 0.000) 54.529 13.428 ( -58.015 -29.483 0.000) 65.076 14.630 ( -13.174 -17.538 0.000) 21.934 15.437 ( 2.884 11.699 0.000) 12.049 ======================= Grid point 539 (94/112) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 7.039 5.594 0.000) 8.991 1.660 ( 3.459 -5.038 0.000) 6.111 1.724 ( 9.274 -0.823 -0.000) 9.311 2.243 ( 26.963 -4.982 0.000) 27.420 2.635 ( 9.149 7.085 0.000) 11.572 3.102 ( -1.636 14.608 0.000) 14.699 3.266 ( 13.356 18.971 0.000) 23.201 3.543 ( 3.101 -9.623 0.000) 10.110 3.941 ( 9.911 -2.959 0.000) 10.343 4.649 ( -1.575 7.782 0.000) 7.940 4.843 ( 1.277 12.337 0.000) 12.403 5.254 ( 10.489 8.503 0.000) 13.503 5.506 ( -3.800 -6.031 0.000) 7.129 5.600 ( 7.324 1.797 0.000) 7.541 5.703 ( -0.010 2.080 0.000) 2.080 6.345 ( 23.040 -6.439 0.000) 23.923 6.587 ( 3.857 4.278 0.000) 5.760 6.741 ( -9.975 -2.620 0.000) 10.313 10.233 ( 2.922 -1.599 0.000) 3.331 11.283 ( 15.447 -20.456 0.000) 25.633 12.474 ( -38.318 -14.902 0.000) 41.114 13.896 ( 33.128 28.567 0.000) 43.744 14.336 ( -16.778 -22.561 0.000) 28.116 15.493 ( 2.435 17.178 0.000) 17.349 ======================= Grid point 541 (95/112) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 8.906 4.549 0.000) 10.001 1.757 ( 6.355 -6.557 0.000) 9.131 1.924 ( 11.246 1.195 0.000) 11.310 2.666 ( 12.116 3.441 0.000) 12.595 2.790 ( 6.112 7.247 0.000) 9.480 3.053 ( 1.648 4.823 0.000) 5.097 3.480 ( 7.239 16.667 0.000) 18.171 3.635 ( 5.818 -8.494 0.000) 10.295 4.069 ( 3.095 -1.483 0.000) 3.432 4.566 ( -6.709 8.942 0.000) 11.179 4.891 ( 3.538 9.227 0.000) 9.882 5.407 ( 5.784 2.596 0.000) 6.340 5.425 ( -4.616 -4.742 -0.000) 6.617 5.726 ( 2.114 1.152 0.000) 2.407 5.762 ( 9.301 2.591 0.000) 9.655 6.538 ( -8.916 -0.661 -0.000) 8.940 6.725 ( 8.374 4.938 0.000) 9.721 6.775 ( 19.108 -5.416 0.000) 19.861 10.341 ( 8.223 -2.438 0.000) 8.577 11.641 ( 20.665 -25.133 0.000) 32.538 11.886 ( -23.097 -9.087 0.000) 24.820 13.971 ( -20.241 -26.256 0.000) 33.153 14.469 ( 25.342 25.999 0.000) 36.307 15.522 ( 0.243 20.390 0.000) 20.392 ======================= Grid point 543 (96/112) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 8.386 1.364 0.000) 8.496 1.892 ( 6.608 -7.618 0.000) 10.084 2.156 ( 11.707 6.088 0.000) 13.195 2.676 ( -6.291 15.733 0.000) 16.944 2.885 ( 4.208 6.439 0.000) 7.692 3.159 ( 2.858 -1.738 0.000) 3.345 3.626 ( 10.025 10.359 0.000) 14.416 3.754 ( 5.856 -6.416 0.000) 8.687 4.072 ( -2.318 -0.747 0.000) 2.435 4.397 ( -10.200 7.861 0.000) 12.878 4.975 ( 4.945 5.175 0.000) 7.158 5.322 ( -5.771 -2.664 0.000) 6.356 5.520 ( 6.097 0.591 0.000) 6.125 5.761 ( 0.683 0.010 0.000) 0.683 5.942 ( 8.616 3.369 0.000) 9.252 6.374 ( -7.657 1.203 -0.000) 7.751 6.919 ( 10.431 3.884 0.000) 11.130 7.066 ( 10.167 -3.688 0.000) 10.815 10.556 ( 13.428 -3.920 0.000) 13.989 11.504 ( -17.074 -7.252 0.000) 18.550 12.083 ( 23.953 -28.044 0.000) 36.882 13.543 ( -23.127 -28.683 0.000) 36.845 14.899 ( 18.548 24.683 0.000) 30.875 15.496 ( -3.040 22.257 0.000) 22.463 ======================= Grid point 545 (97/112) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 4.773 -4.213 0.000) 6.366 1.985 ( 2.013 -7.860 0.000) 8.113 2.363 ( 9.114 13.324 0.000) 16.143 2.527 ( -8.044 17.476 -0.000) 19.238 2.982 ( 5.993 5.039 0.000) 7.830 3.109 ( -6.008 2.930 0.000) 6.685 3.856 ( 9.791 0.863 -0.000) 9.829 3.859 ( 4.667 -5.027 0.000) 6.860 4.016 ( -0.745 2.613 0.000) 2.717 4.175 ( -11.926 6.815 0.000) 13.736 5.083 ( 5.876 1.886 0.000) 6.171 5.203 ( -6.220 -0.597 0.000) 6.249 5.643 ( 5.959 0.256 0.000) 5.965 5.737 ( -3.207 -0.087 0.000) 3.208 6.097 ( 7.196 3.286 0.000) 7.911 6.233 ( -6.840 2.611 -0.000) 7.322 7.100 ( 7.149 1.453 0.000) 7.295 7.170 ( 0.552 -1.293 0.000) 1.406 10.853 ( 16.258 -5.398 0.000) 17.131 11.178 ( -16.475 -6.443 0.000) 17.690 12.571 ( 25.324 -29.598 0.000) 38.953 13.068 ( -24.954 -29.816 0.000) 38.880 15.203 ( 12.470 23.930 0.000) 26.984 15.396 ( -7.281 23.279 0.000) 24.391 ======================= Grid point 563 (98/112) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.662 5.662 0.000) 8.008 1.565 ( 5.273 5.273 0.008) 7.458 1.569 ( -2.022 -2.022 -0.008) 2.860 1.841 ( 16.608 16.608 0.000) 23.488 2.621 ( 10.110 10.110 0.000) 14.298 3.293 ( 22.811 22.811 0.000) 32.260 3.388 ( -4.404 -4.404 0.000) 6.228 3.483 ( 6.103 6.103 0.000) 8.632 3.651 ( 4.061 4.061 -0.000) 5.743 4.775 ( 3.714 3.714 0.000) 5.253 4.918 ( 7.005 7.005 0.000) 9.906 5.448 ( 12.768 12.768 0.000) 18.056 5.474 ( -5.386 -5.386 0.000) 7.617 5.506 ( 15.456 15.456 0.000) 21.858 5.730 ( 0.010 0.010 0.000) 0.014 5.887 ( -1.529 -1.529 0.000) 2.162 6.608 ( 3.681 3.681 0.000) 5.206 6.820 ( -7.184 -7.184 0.000) 10.160 10.186 ( -0.627 -0.627 0.000) 0.887 10.866 ( -4.227 -4.227 0.000) 5.977 12.743 ( -36.179 -36.179 0.000) 51.165 13.870 ( 35.854 35.854 0.000) 50.705 14.260 ( -19.915 -19.915 0.000) 28.164 15.655 ( 10.114 10.114 0.000) 14.304 ======================= Grid point 565 (99/112) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.937 -3.455 0.000) 3.960 1.618 ( 5.790 6.996 -0.000) 9.081 1.740 ( 10.955 3.614 -0.000) 11.536 2.264 ( 24.245 7.553 0.000) 25.394 2.834 ( 10.215 12.513 0.000) 16.153 3.366 ( 2.177 -7.402 0.000) 7.715 3.428 ( -6.183 16.656 0.000) 17.766 3.634 ( 11.151 15.467 0.000) 19.068 3.876 ( 12.680 -2.008 0.000) 12.838 4.805 ( -0.171 6.888 0.000) 6.890 5.041 ( 4.539 7.393 0.000) 8.675 5.382 ( -3.784 -6.083 0.000) 7.164 5.552 ( -5.132 17.724 0.000) 18.452 5.662 ( 9.283 6.769 0.000) 11.489 5.726 ( -0.146 0.229 0.000) 0.272 6.179 ( 24.783 -9.267 0.000) 26.459 6.654 ( -5.191 -2.160 0.000) 5.623 6.725 ( 4.129 5.805 0.000) 7.124 10.197 ( 1.935 -1.826 0.000) 2.661 10.889 ( 6.359 -17.205 0.000) 18.343 12.103 ( -27.865 -21.164 0.000) 34.991 13.846 ( -22.167 -26.388 0.000) 34.463 14.520 ( 29.961 32.358 0.000) 44.099 15.827 ( 7.208 15.858 0.000) 17.419 ======================= Grid point 567 (100/112) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 5.731 -4.001 0.000) 6.989 1.741 ( 6.194 4.417 0.000) 7.608 2.001 ( 15.606 7.447 0.000) 17.292 2.721 ( 20.386 4.268 0.000) 20.828 2.985 ( 4.987 11.714 0.000) 12.731 3.299 ( -6.336 16.206 0.000) 17.401 3.466 ( 7.336 -7.598 0.000) 10.562 3.762 ( 2.976 9.996 0.000) 10.429 4.053 ( 4.723 1.147 0.000) 4.860 4.756 ( -5.501 9.174 0.000) 10.697 5.082 ( -0.071 8.931 0.000) 8.931 5.322 ( -2.703 -5.178 0.000) 5.841 5.469 ( -0.499 2.640 0.000) 2.686 5.730 ( 0.580 -1.043 0.000) 1.194 5.868 ( 10.315 9.092 0.000) 13.750 6.527 ( -6.154 -0.127 -0.000) 6.155 6.643 ( 21.044 -6.866 0.000) 22.136 6.865 ( 8.380 8.944 0.000) 12.257 10.274 ( 6.126 -4.315 0.000) 7.494 11.102 ( 14.830 -26.850 0.000) 30.673 11.644 ( -19.546 -14.813 0.000) 24.525 13.388 ( -24.312 -31.662 0.000) 39.919 15.046 ( 23.494 30.270 0.000) 38.318 15.933 ( 3.484 20.127 0.000) 20.427 ======================= Grid point 569 (101/112) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 6.544 -3.996 0.000) 7.667 1.848 ( 4.417 1.612 0.000) 4.702 2.334 ( 17.399 11.593 0.000) 20.908 2.974 ( 2.780 11.683 0.000) 12.009 3.053 ( 2.764 9.693 0.000) 10.079 3.216 ( -0.858 9.074 0.000) 9.114 3.619 ( 7.490 -6.172 0.000) 9.706 3.799 ( 1.904 5.397 0.000) 5.723 4.086 ( 0.038 3.322 0.000) 3.322 4.581 ( -11.627 9.712 0.000) 15.150 5.083 ( 1.009 5.200 0.000) 5.297 5.263 ( -3.391 -2.885 0.000) 4.452 5.530 ( 5.379 0.082 0.000) 5.380 5.741 ( 0.135 -2.251 0.000) 2.255 6.052 ( 8.291 7.892 0.000) 11.446 6.416 ( -5.290 3.172 -0.000) 6.169 6.981 ( 12.987 -4.155 0.000) 13.635 7.031 ( 7.938 7.442 0.000) 10.881 10.444 ( 11.065 -7.475 0.000) 13.353 11.302 ( -15.974 -12.893 0.000) 20.528 11.454 ( 20.514 -33.127 0.000) 38.964 12.894 ( -25.688 -35.442 0.000) 43.772 15.446 ( 17.233 28.621 0.000) 33.409 15.959 ( -0.911 23.202 0.000) 23.220 ======================= Grid point 571 (102/112) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 3.615 -3.119 -0.000) 4.775 1.903 ( 0.894 -1.075 0.000) 1.398 2.654 ( 14.467 15.582 0.000) 21.263 2.885 ( -8.925 17.923 -0.000) 20.022 3.116 ( 3.867 7.804 0.000) 8.709 3.195 ( -3.172 5.514 0.000) 6.362 3.748 ( 5.513 -5.331 0.000) 7.669 3.822 ( -1.221 -3.126 0.000) 3.356 4.136 ( 6.850 8.068 0.000) 10.584 4.337 ( -12.280 8.741 0.000) 15.073 5.124 ( 2.935 2.260 0.000) 3.704 5.191 ( -3.709 -0.321 0.000) 3.723 5.641 ( 5.286 -0.641 0.000) 5.325 5.720 ( -2.525 -1.799 0.000) 3.100 6.196 ( 6.466 6.729 0.000) 9.332 6.312 ( -5.456 5.361 0.000) 7.649 7.149 ( 4.099 -0.415 0.000) 4.120 7.151 ( 3.532 3.824 -0.000) 5.206 10.698 ( 14.435 -10.208 0.000) 17.680 10.995 ( -15.415 -11.916 0.000) 19.484 11.895 ( 24.002 -36.555 0.000) 43.731 12.387 ( -25.688 -37.246 0.000) 45.246 15.726 ( 11.307 27.091 0.000) 29.356 15.894 ( -5.854 25.403 0.000) 26.069 ======================= Grid point 591 (103/112) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 1.430 1.430 0.000) 2.022 1.728 ( 4.644 4.644 0.000) 6.568 1.907 ( 12.965 12.965 0.000) 18.336 2.515 ( 16.722 16.722 0.000) 23.649 3.091 ( 12.141 12.141 0.000) 17.170 3.270 ( -1.744 -1.744 0.000) 2.466 3.691 ( 3.702 3.702 0.000) 5.235 3.714 ( 1.977 1.977 0.000) 2.796 4.003 ( 10.652 10.652 0.000) 15.064 4.897 ( 2.471 2.471 0.000) 3.494 5.166 ( 5.525 5.525 0.000) 7.813 5.283 ( -3.628 -3.628 0.000) 5.130 5.606 ( -6.213 -6.213 0.000) 8.787 5.714 ( -1.341 -1.341 0.000) 1.896 6.004 ( 9.073 9.073 0.000) 12.832 6.124 ( 15.585 15.585 0.000) 22.040 6.589 ( -3.128 -3.128 0.000) 4.424 6.884 ( 8.997 8.997 0.000) 12.723 10.168 ( -0.974 -0.974 0.000) 1.378 10.656 ( -5.848 -5.848 0.000) 8.270 11.691 ( -19.969 -19.969 0.000) 28.241 13.310 ( -27.938 -27.938 0.000) 39.510 15.118 ( 27.904 27.904 0.000) 39.462 16.102 ( 11.879 11.879 0.000) 16.800 ======================= Grid point 593 (104/112) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.545 1.261 0.000) 5.687 1.817 ( 4.314 3.596 0.000) 5.617 2.220 ( 18.191 14.299 0.000) 23.138 2.863 ( 17.128 9.845 0.000) 19.755 3.197 ( 0.379 7.152 0.000) 7.162 3.377 ( 10.178 0.566 0.000) 10.194 3.591 ( -6.234 12.165 0.000) 13.670 3.826 ( 2.724 -1.827 0.000) 3.280 4.150 ( 4.132 6.984 0.000) 8.115 4.897 ( -3.250 4.733 0.000) 5.742 5.229 ( -1.083 6.341 0.000) 6.433 5.242 ( -0.944 -2.540 -0.000) 2.710 5.462 ( -3.209 -3.995 0.000) 5.124 5.686 ( -1.153 -3.194 0.000) 3.396 6.116 ( 6.438 14.337 0.000) 15.717 6.538 ( -2.221 1.166 -0.000) 2.509 6.562 ( 21.924 0.378 0.000) 21.927 7.060 ( 8.424 10.301 0.000) 13.307 10.173 ( 2.028 -5.879 0.000) 6.219 10.659 ( 5.638 -16.939 0.000) 17.852 11.328 ( -17.021 -16.722 0.000) 23.861 12.751 ( -28.743 -32.725 0.000) 43.556 15.608 ( 21.820 26.281 0.000) 34.159 16.289 ( 7.037 15.707 0.000) 17.211 ======================= Grid point 595 (105/112) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 6.755 1.143 0.000) 6.851 1.889 ( 2.706 2.603 0.000) 3.755 2.598 ( 19.506 14.934 0.000) 24.566 3.131 ( 8.837 6.037 0.000) 10.703 3.206 ( 0.991 4.192 0.000) 4.308 3.462 ( -6.908 12.753 -0.000) 14.504 3.559 ( 7.887 1.176 0.000) 7.974 3.831 ( -1.625 -0.762 0.000) 1.795 4.199 ( 2.247 6.778 0.000) 7.140 4.740 ( -11.992 5.683 0.000) 13.271 5.176 ( -1.419 4.436 0.000) 4.658 5.226 ( -0.966 -0.477 -0.000) 1.077 5.513 ( 5.372 -1.872 0.000) 5.688 5.676 ( -0.030 -4.065 0.000) 4.065 6.243 ( 6.128 10.855 0.000) 12.466 6.494 ( -2.503 4.435 -0.000) 5.092 6.937 ( 15.719 0.421 0.000) 15.725 7.199 ( 5.301 9.128 0.000) 10.556 10.265 ( 7.451 -10.583 0.000) 12.943 10.857 ( 14.047 -26.146 0.000) 29.681 11.013 ( -15.272 -16.004 0.000) 22.122 12.188 ( -28.202 -35.761 0.000) 45.544 15.976 ( 15.612 24.666 0.000) 29.192 16.376 ( 1.736 18.689 0.000) 18.769 ======================= Grid point 597 (106/112) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.558 1.309 0.000) 4.742 1.912 ( -0.633 1.845 0.000) 1.951 2.956 ( 16.070 14.781 0.000) 21.834 3.178 ( -4.677 9.633 -0.000) 10.708 3.241 ( 2.657 3.709 0.000) 4.563 3.323 ( -6.337 8.444 0.000) 10.557 3.688 ( 5.439 0.095 0.000) 5.439 3.777 ( -3.660 -0.709 0.000) 3.728 4.289 ( 7.519 6.940 0.000) 10.232 4.489 ( -12.254 6.132 0.000) 13.703 5.177 ( 0.972 3.342 0.000) 3.480 5.202 ( -1.388 1.654 0.000) 2.159 5.613 ( 4.205 -2.181 0.000) 4.737 5.667 ( -1.323 -3.355 0.000) 3.606 6.351 ( 4.851 8.615 0.000) 9.887 6.434 ( -3.601 6.719 0.000) 7.623 7.170 ( 7.948 2.856 0.000) 8.445 7.251 ( -0.415 6.190 0.000) 6.203 10.460 ( 12.033 -13.713 0.000) 18.244 10.722 ( -14.260 -15.391 0.000) 20.981 11.200 ( 20.573 -32.935 0.000) 38.833 11.656 ( -25.500 -36.144 0.000) 44.234 16.224 ( 9.598 22.950 0.000) 24.876 16.355 ( -3.824 21.024 0.000) 21.369 ======================= Grid point 619 (107/112) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 5.328 5.328 0.000) 7.535 1.888 ( 3.564 3.564 0.000) 5.040 2.544 ( 18.091 18.091 0.000) 25.584 3.073 ( 10.359 10.359 0.000) 14.650 3.227 ( -0.807 -0.807 -0.000) 1.141 3.501 ( 8.317 8.317 0.000) 11.762 3.752 ( 0.159 0.159 0.000) 0.225 3.764 ( 0.429 0.429 0.000) 0.607 4.261 ( 3.834 3.834 0.000) 5.422 4.926 ( -2.539 -2.539 0.000) 3.591 5.227 ( 0.784 0.784 -0.000) 1.109 5.338 ( -4.186 -4.186 0.000) 5.920 5.352 ( 3.948 3.948 0.000) 5.584 5.624 ( -2.547 -2.547 0.000) 3.602 6.337 ( 7.304 7.304 0.000) 10.329 6.565 ( 1.255 1.255 0.000) 1.775 6.712 ( 14.075 14.075 0.000) 19.905 7.248 ( 8.343 8.343 0.000) 11.799 10.061 ( -4.331 -4.331 0.000) 6.125 10.454 ( -4.438 -4.438 0.000) 6.276 11.001 ( -16.360 -16.360 0.000) 23.137 12.112 ( -32.034 -32.034 0.000) 45.303 16.067 ( 20.249 20.249 0.000) 28.636 16.544 ( 10.154 10.154 0.000) 14.360 ======================= Grid point 621 (108/112) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 6.482 4.917 0.000) 8.135 1.950 ( 2.414 3.449 0.000) 4.209 2.908 ( 18.228 16.200 0.000) 24.386 3.219 ( 0.347 -1.398 0.000) 1.441 3.224 ( 4.201 2.972 -0.000) 5.146 3.644 ( 6.062 5.771 -0.000) 8.370 3.663 ( -5.487 7.550 0.000) 9.333 3.807 ( 0.685 -1.242 0.000) 1.418 4.316 ( 2.670 4.845 0.000) 5.532 4.786 ( -10.571 -1.118 0.000) 10.630 5.249 ( 0.965 2.611 0.000) 2.784 5.266 ( -1.285 4.578 0.000) 4.755 5.471 ( 5.838 -1.600 0.000) 6.054 5.599 ( -0.059 -3.292 0.000) 3.293 6.444 ( 4.330 8.734 0.000) 9.749 6.579 ( 0.018 3.926 0.000) 3.926 7.016 ( 14.955 7.597 0.000) 16.774 7.370 ( 3.668 7.711 0.000) 8.539 10.045 ( 3.101 -10.718 0.000) 11.158 10.458 ( 4.496 -14.479 0.000) 15.161 10.691 ( -15.063 -16.317 0.000) 22.207 11.505 ( -29.107 -33.242 0.000) 44.184 16.403 ( 13.943 18.617 0.000) 23.259 16.686 ( 4.237 12.752 0.000) 13.438 ======================= Grid point 623 (109/112) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 4.431 4.396 0.000) 6.242 1.970 ( -0.645 3.846 0.000) 3.899 3.193 ( 6.058 4.813 0.000) 7.737 3.245 ( -1.249 -0.784 -0.000) 1.475 3.288 ( 10.746 6.103 0.000) 12.358 3.518 ( -9.835 9.147 0.000) 13.432 3.742 ( 3.952 4.298 0.000) 5.838 3.798 ( -1.640 2.531 0.000) 3.016 4.400 ( 6.385 4.330 0.000) 7.715 4.569 ( -10.450 1.995 0.000) 10.638 5.259 ( 0.098 4.877 -0.000) 4.878 5.260 ( 0.165 4.037 0.000) 4.040 5.565 ( 3.421 -2.315 0.000) 4.130 5.601 ( -0.398 -3.023 0.000) 3.049 6.516 ( 3.052 7.714 0.000) 8.296 6.563 ( -1.629 6.043 0.000) 6.258 7.262 ( 9.515 6.154 0.000) 11.331 7.382 ( -2.659 6.680 0.000) 7.190 10.178 ( 9.933 -14.174 0.000) 17.308 10.411 ( -13.261 -15.609 0.000) 20.481 10.632 ( 13.426 -24.368 0.000) 27.822 10.989 ( -22.719 -31.160 0.000) 38.563 16.617 ( 7.782 16.864 0.000) 18.573 16.710 ( -1.754 14.942 0.000) 15.045 ======================= Grid point 647 (110/112) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 5.853 5.853 0.000) 8.278 2.016 ( 2.955 2.955 0.000) 4.178 3.189 ( -1.208 -1.208 0.000) 1.708 3.217 ( 14.547 14.547 0.000) 20.573 3.239 ( -1.205 -1.205 -0.000) 1.704 3.724 ( -2.317 -2.317 -0.000) 3.277 3.749 ( 4.800 4.800 0.000) 6.788 3.824 ( 3.687 3.687 0.000) 5.213 4.392 ( 3.246 3.246 0.000) 4.591 4.707 ( -6.181 -6.181 0.000) 8.741 5.307 ( 2.637 2.637 -0.000) 3.729 5.335 ( 2.000 2.000 0.000) 2.829 5.478 ( 2.464 2.464 0.000) 3.484 5.560 ( -0.638 -0.638 0.000) 0.902 6.575 ( 4.830 4.830 0.000) 6.830 6.640 ( 2.223 2.223 0.000) 3.144 7.206 ( 10.607 10.607 0.000) 15.001 7.483 ( 3.443 3.443 0.000) 4.869 9.899 ( -2.933 -2.933 0.000) 4.148 10.266 ( -5.448 -5.448 0.000) 7.705 10.387 ( -14.197 -14.197 0.000) 20.077 10.899 ( -27.764 -27.764 0.000) 39.264 16.707 ( 12.224 12.224 0.000) 17.287 16.875 ( 6.481 6.481 0.000) 9.165 ======================= Grid point 649 (111/112) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.653 5.020 0.000) 6.209 2.051 ( 0.224 3.973 0.000) 3.979 3.177 ( 0.271 -2.302 0.000) 2.318 3.201 ( -2.006 -2.919 0.000) 3.542 3.467 ( 10.548 8.039 0.000) 13.262 3.633 ( -6.507 2.219 -0.000) 6.875 3.833 ( 3.577 4.900 0.000) 6.067 3.872 ( 0.227 4.663 0.000) 4.668 4.463 ( 4.453 2.302 0.000) 5.012 4.574 ( -6.657 -1.125 0.000) 6.751 5.342 ( 1.029 3.781 0.000) 3.919 5.352 ( 0.052 3.923 0.000) 3.924 5.536 ( 2.428 -0.456 0.000) 2.470 5.559 ( -0.099 -1.102 0.000) 1.106 6.643 ( 2.165 5.004 0.000) 5.452 6.663 ( 0.074 4.017 0.000) 4.018 7.394 ( 7.787 6.763 0.000) 10.314 7.496 ( -2.299 4.472 0.000) 5.028 9.944 ( 7.022 -8.568 0.000) 11.078 10.136 ( -11.500 -11.678 0.000) 16.390 10.245 ( 3.814 -15.034 0.000) 15.510 10.447 ( -17.191 -23.577 0.000) 29.179 16.885 ( 5.947 10.422 0.000) 12.000 16.941 ( 0.242 8.520 0.000) 8.524 ======================= Grid point 675 (112/112) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.98e-04 5.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 2.624 2.624 0.000) 3.711 2.108 ( 1.432 1.432 0.000) 2.025 3.142 ( -0.834 -0.834 0.000) 1.180 3.151 ( -1.720 -1.720 0.000) 2.433 3.578 ( 3.693 3.693 -0.000) 5.223 3.630 ( -1.713 -1.713 0.000) 2.422 3.923 ( 3.498 3.498 0.000) 4.947 3.944 ( 1.687 1.687 0.000) 2.386 4.500 ( 1.754 1.754 0.000) 2.481 4.539 ( -2.115 -2.115 0.000) 2.991 5.393 ( 1.322 1.322 0.000) 1.869 5.398 ( 0.837 0.837 0.000) 1.183 5.544 ( 0.859 0.859 0.000) 1.214 5.553 ( 0.005 0.005 0.000) 0.007 6.710 ( 1.861 1.861 0.000) 2.632 6.716 ( 1.265 1.265 0.000) 1.788 7.506 ( 4.114 4.114 0.000) 5.819 7.545 ( 0.303 0.303 0.000) 0.428 9.872 ( 1.580 1.580 0.000) 2.234 9.966 ( -6.072 -6.072 0.000) 8.587 10.043 ( -5.196 -5.196 0.000) 7.348 10.088 ( -11.495 -11.495 0.000) 16.256 17.027 ( 4.081 4.081 0.000) 5.772 17.046 ( 2.180 2.180 0.000) 3.083 =================== 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 3/24336 10.0 289.066 289.066 323.520 -0.000 -0.000 0.000 3/24336 20.0 99.225 99.225 91.308 -0.000 -0.000 0.000 3/24336 30.0 54.340 54.340 40.422 -0.000 -0.000 0.000 3/24336 40.0 36.587 36.587 24.171 -0.000 -0.000 0.000 3/24336 50.0 27.200 27.200 16.783 -0.000 -0.000 0.000 3/24336 60.0 21.563 21.563 12.719 -0.000 -0.000 0.000 3/24336 70.0 17.887 17.887 10.201 -0.000 -0.000 0.000 3/24336 80.0 15.338 15.338 8.506 -0.000 -0.000 0.000 3/24336 90.0 13.486 13.486 7.294 -0.000 -0.000 0.000 3/24336 100.0 12.090 12.090 6.387 -0.000 -0.000 0.000 3/24336 110.0 11.004 11.004 5.684 -0.000 -0.000 0.000 3/24336 120.0 10.134 10.134 5.124 -0.000 -0.000 0.000 3/24336 130.0 9.422 9.422 4.666 -0.000 -0.000 0.000 3/24336 140.0 8.824 8.824 4.286 -0.000 -0.000 0.000 3/24336 150.0 8.315 8.315 3.965 -0.000 -0.000 0.000 3/24336 160.0 7.872 7.872 3.691 -0.000 -0.000 0.000 3/24336 170.0 7.483 7.483 3.453 -0.000 -0.000 0.000 3/24336 180.0 7.136 7.136 3.245 -0.000 -0.000 0.000 3/24336 190.0 6.824 6.824 3.061 -0.000 -0.000 0.000 3/24336 200.0 6.541 6.541 2.898 -0.000 -0.000 0.000 3/24336 210.0 6.282 6.282 2.752 -0.000 -0.000 0.000 3/24336 220.0 6.045 6.045 2.620 -0.000 -0.000 0.000 3/24336 230.0 5.825 5.825 2.500 -0.000 -0.000 0.000 3/24336 240.0 5.622 5.622 2.392 -0.000 -0.000 0.000 3/24336 250.0 5.432 5.432 2.292 -0.000 -0.000 0.000 3/24336 260.0 5.255 5.255 2.201 -0.000 -0.000 0.000 3/24336 270.0 5.089 5.089 2.117 -0.000 -0.000 0.000 3/24336 280.0 4.933 4.933 2.039 -0.000 -0.000 0.000 3/24336 290.0 4.786 4.786 1.967 -0.000 -0.000 0.000 3/24336 300.0 4.647 4.647 1.900 -0.000 -0.000 0.000 3/24336 310.0 4.517 4.517 1.837 -0.000 -0.000 0.000 3/24336 320.0 4.393 4.393 1.779 -0.000 -0.000 0.000 3/24336 330.0 4.275 4.275 1.724 -0.000 -0.000 0.000 3/24336 340.0 4.164 4.164 1.672 -0.000 -0.000 0.000 3/24336 350.0 4.058 4.058 1.624 -0.000 -0.000 0.000 3/24336 360.0 3.957 3.957 1.578 -0.000 -0.000 0.000 3/24336 370.0 3.861 3.861 1.535 -0.000 -0.000 0.000 3/24336 380.0 3.769 3.769 1.494 -0.000 -0.000 0.000 3/24336 390.0 3.682 3.682 1.455 -0.000 -0.000 0.000 3/24336 400.0 3.598 3.598 1.418 -0.000 -0.000 0.000 3/24336 410.0 3.518 3.518 1.383 -0.000 -0.000 0.000 3/24336 420.0 3.441 3.441 1.350 -0.000 -0.000 0.000 3/24336 430.0 3.368 3.368 1.318 -0.000 -0.000 0.000 3/24336 440.0 3.297 3.297 1.288 -0.000 -0.000 0.000 3/24336 450.0 3.229 3.229 1.259 -0.000 -0.000 0.000 3/24336 460.0 3.164 3.164 1.232 -0.000 -0.000 0.000 3/24336 470.0 3.102 3.102 1.205 -0.000 -0.000 0.000 3/24336 480.0 3.041 3.041 1.180 -0.000 -0.000 0.000 3/24336 490.0 2.983 2.983 1.156 -0.000 -0.000 0.000 3/24336 500.0 2.928 2.928 1.133 -0.000 -0.000 0.000 3/24336 510.0 2.874 2.874 1.110 -0.000 -0.000 0.000 3/24336 520.0 2.822 2.822 1.089 -0.000 -0.000 0.000 3/24336 530.0 2.772 2.772 1.068 -0.000 -0.000 0.000 3/24336 540.0 2.723 2.723 1.048 -0.000 -0.000 0.000 3/24336 550.0 2.676 2.676 1.029 -0.000 -0.000 0.000 3/24336 560.0 2.631 2.631 1.011 -0.000 -0.000 0.000 3/24336 570.0 2.587 2.587 0.993 -0.000 -0.000 0.000 3/24336 580.0 2.545 2.545 0.976 -0.000 -0.000 0.000 3/24336 590.0 2.504 2.504 0.959 -0.000 -0.000 0.000 3/24336 600.0 2.464 2.464 0.943 -0.000 -0.000 0.000 3/24336 610.0 2.425 2.425 0.928 -0.000 -0.000 0.000 3/24336 620.0 2.388 2.388 0.913 -0.000 -0.000 0.000 3/24336 630.0 2.352 2.352 0.898 -0.000 -0.000 0.000 3/24336 640.0 2.317 2.317 0.884 -0.000 -0.000 0.000 3/24336 650.0 2.282 2.282 0.870 -0.000 -0.000 0.000 3/24336 660.0 2.249 2.249 0.857 -0.000 -0.000 0.000 3/24336 670.0 2.217 2.217 0.844 -0.000 -0.000 0.000 3/24336 680.0 2.185 2.185 0.832 -0.000 -0.000 0.000 3/24336 690.0 2.155 2.155 0.820 -0.000 -0.000 0.000 3/24336 700.0 2.125 2.125 0.808 -0.000 -0.000 0.000 3/24336 710.0 2.096 2.096 0.797 -0.000 -0.000 0.000 3/24336 720.0 2.068 2.068 0.785 -0.000 -0.000 0.000 3/24336 730.0 2.041 2.041 0.775 -0.000 -0.000 0.000 3/24336 740.0 2.014 2.014 0.764 -0.000 -0.000 0.000 3/24336 750.0 1.988 1.988 0.754 -0.000 -0.000 0.000 3/24336 760.0 1.963 1.963 0.744 -0.000 -0.000 0.000 3/24336 770.0 1.938 1.938 0.734 -0.000 -0.000 0.000 3/24336 780.0 1.914 1.914 0.725 -0.000 -0.000 0.000 3/24336 790.0 1.890 1.890 0.716 -0.000 -0.000 0.000 3/24336 800.0 1.867 1.867 0.707 -0.000 -0.000 0.000 3/24336 810.0 1.845 1.845 0.698 -0.000 -0.000 0.000 3/24336 820.0 1.823 1.823 0.690 -0.000 -0.000 0.000 3/24336 830.0 1.802 1.802 0.681 -0.000 -0.000 0.000 3/24336 840.0 1.781 1.781 0.673 -0.000 -0.000 0.000 3/24336 850.0 1.760 1.760 0.665 -0.000 -0.000 0.000 3/24336 860.0 1.740 1.740 0.657 -0.000 -0.000 0.000 3/24336 870.0 1.721 1.721 0.650 -0.000 -0.000 0.000 3/24336 880.0 1.702 1.702 0.642 -0.000 -0.000 0.000 3/24336 890.0 1.683 1.683 0.635 -0.000 -0.000 0.000 3/24336 900.0 1.665 1.665 0.628 -0.000 -0.000 0.000 3/24336 910.0 1.647 1.647 0.621 -0.000 -0.000 0.000 3/24336 920.0 1.629 1.629 0.615 -0.000 -0.000 0.000 3/24336 930.0 1.612 1.612 0.608 -0.000 -0.000 0.000 3/24336 940.0 1.595 1.595 0.601 -0.000 -0.000 0.000 3/24336 950.0 1.579 1.579 0.595 -0.000 -0.000 0.000 3/24336 960.0 1.563 1.563 0.589 -0.000 -0.000 0.000 3/24336 970.0 1.547 1.547 0.583 -0.000 -0.000 0.000 3/24336 980.0 1.532 1.532 0.577 -0.000 -0.000 0.000 3/24336 990.0 1.516 1.516 0.571 -0.000 -0.000 0.000 3/24336 1000.0 1.502 1.502 0.565 -0.000 -0.000 0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:46:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|