----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:04:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.279053966165306 0.000000000000000 0.000000000000000 b -2.639526983082653 4.571794842648151 0.000000000000000 c 0.000000000000000 0.000000000000000 4.815787869999999 Atomic positions (fractional): *1 O 0.63460715620934 0.63460715620934 0.27336621574950 15.999 2 O 0.00000000000000 0.36539284379066 0.27336621574950 15.999 3 O 0.36539284379066 0.00000000000000 0.27336621574950 15.999 4 O 0.00000000000000 0.63460715620934 0.72663378425050 15.999 5 O 0.63460715620934 0.00000000000000 0.72663378425050 15.999 6 O 0.36539284379066 0.36539284379066 0.72663378425050 15.999 *7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 *8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.279053966165306 0.000000000000000 0.000000000000000 b -2.639526983082653 4.571794842648151 0.000000000000000 c 0.000000000000000 0.000000000000000 4.815787869999999 Atomic positions (fractional): *1 O 0.63460715620934 0.63460715620934 0.27336621574950 15.999 > 1 2 O 0.00000000000000 0.36539284379066 0.27336621574950 15.999 > 2 3 O 0.36539284379066 0.00000000000000 0.27336621574950 15.999 > 3 4 O 0.00000000000000 0.63460715620934 0.72663378425050 15.999 > 4 5 O 0.63460715620934 0.00000000000000 0.72663378425050 15.999 > 5 6 O 0.36539284379066 0.36539284379066 0.72663378425050 15.999 > 6 *7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 7 *8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 8 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.558107932330612 0.000000000000000 0.000000000000000 b -5.279053966165306 9.143589685296302 0.000000000000000 c 0.000000000000000 0.000000000000000 14.447363609999998 Atomic positions (fractional): *1 O 0.31730357810467 0.31730357810467 0.09112207191650 15.999 > 1 2 O 0.81730357810467 0.31730357810467 0.09112207191650 15.999 > 1 3 O 0.31730357810467 0.81730357810467 0.09112207191650 15.999 > 1 4 O 0.81730357810467 0.81730357810467 0.09112207191650 15.999 > 1 5 O 0.31730357810467 0.31730357810467 0.42445540524983 15.999 > 1 6 O 0.81730357810467 0.31730357810467 0.42445540524983 15.999 > 1 7 O 0.31730357810467 0.81730357810467 0.42445540524983 15.999 > 1 8 O 0.81730357810467 0.81730357810467 0.42445540524983 15.999 > 1 9 O 0.31730357810467 0.31730357810467 0.75778873858317 15.999 > 1 10 O 0.81730357810467 0.31730357810467 0.75778873858317 15.999 > 1 11 O 0.31730357810467 0.81730357810467 0.75778873858317 15.999 > 1 12 O 0.81730357810467 0.81730357810467 0.75778873858317 15.999 > 1 13 O 0.00000000000000 0.18269642189533 0.09112207191650 15.999 > 2 14 O 0.50000000000000 0.18269642189533 0.09112207191650 15.999 > 2 15 O 0.00000000000000 0.68269642189533 0.09112207191650 15.999 > 2 16 O 0.50000000000000 0.68269642189533 0.09112207191650 15.999 > 2 17 O 0.00000000000000 0.18269642189533 0.42445540524983 15.999 > 2 18 O 0.50000000000000 0.18269642189533 0.42445540524983 15.999 > 2 19 O 0.00000000000000 0.68269642189533 0.42445540524983 15.999 > 2 20 O 0.50000000000000 0.68269642189533 0.42445540524983 15.999 > 2 21 O 0.00000000000000 0.18269642189533 0.75778873858317 15.999 > 2 22 O 0.50000000000000 0.18269642189533 0.75778873858317 15.999 > 2 23 O 0.00000000000000 0.68269642189533 0.75778873858317 15.999 > 2 24 O 0.50000000000000 0.68269642189533 0.75778873858317 15.999 > 2 25 O 0.18269642189533 0.00000000000000 0.09112207191650 15.999 > 3 26 O 0.68269642189533 0.00000000000000 0.09112207191650 15.999 > 3 27 O 0.18269642189533 0.50000000000000 0.09112207191650 15.999 > 3 28 O 0.68269642189533 0.50000000000000 0.09112207191650 15.999 > 3 29 O 0.18269642189533 0.00000000000000 0.42445540524983 15.999 > 3 30 O 0.68269642189533 0.00000000000000 0.42445540524983 15.999 > 3 31 O 0.18269642189533 0.50000000000000 0.42445540524983 15.999 > 3 32 O 0.68269642189533 0.50000000000000 0.42445540524983 15.999 > 3 33 O 0.18269642189533 0.00000000000000 0.75778873858317 15.999 > 3 34 O 0.68269642189533 0.00000000000000 0.75778873858317 15.999 > 3 35 O 0.18269642189533 0.50000000000000 0.75778873858317 15.999 > 3 36 O 0.68269642189533 0.50000000000000 0.75778873858317 15.999 > 3 37 O 0.00000000000000 0.31730357810467 0.24221126141683 15.999 > 4 38 O 0.50000000000000 0.31730357810467 0.24221126141683 15.999 > 4 39 O 0.00000000000000 0.81730357810467 0.24221126141683 15.999 > 4 40 O 0.50000000000000 0.81730357810467 0.24221126141683 15.999 > 4 41 O 0.00000000000000 0.31730357810467 0.57554459475017 15.999 > 4 42 O 0.50000000000000 0.31730357810467 0.57554459475017 15.999 > 4 43 O 0.00000000000000 0.81730357810467 0.57554459475017 15.999 > 4 44 O 0.50000000000000 0.81730357810467 0.57554459475017 15.999 > 4 45 O 0.00000000000000 0.31730357810467 0.90887792808350 15.999 > 4 46 O 0.50000000000000 0.31730357810467 0.90887792808350 15.999 > 4 47 O 0.00000000000000 0.81730357810467 0.90887792808350 15.999 > 4 48 O 0.50000000000000 0.81730357810467 0.90887792808350 15.999 > 4 49 O 0.31730357810467 0.00000000000000 0.24221126141683 15.999 > 5 50 O 0.81730357810467 0.00000000000000 0.24221126141683 15.999 > 5 51 O 0.31730357810467 0.50000000000000 0.24221126141683 15.999 > 5 52 O 0.81730357810467 0.50000000000000 0.24221126141683 15.999 > 5 53 O 0.31730357810467 0.00000000000000 0.57554459475017 15.999 > 5 54 O 0.81730357810467 0.00000000000000 0.57554459475017 15.999 > 5 55 O 0.31730357810467 0.50000000000000 0.57554459475017 15.999 > 5 56 O 0.81730357810467 0.50000000000000 0.57554459475017 15.999 > 5 57 O 0.31730357810467 0.00000000000000 0.90887792808350 15.999 > 5 58 O 0.81730357810467 0.00000000000000 0.90887792808350 15.999 > 5 59 O 0.31730357810467 0.50000000000000 0.90887792808350 15.999 > 5 60 O 0.81730357810467 0.50000000000000 0.90887792808350 15.999 > 5 61 O 0.18269642189533 0.18269642189533 0.24221126141683 15.999 > 6 62 O 0.68269642189533 0.18269642189533 0.24221126141683 15.999 > 6 63 O 0.18269642189533 0.68269642189533 0.24221126141683 15.999 > 6 64 O 0.68269642189533 0.68269642189533 0.24221126141683 15.999 > 6 65 O 0.18269642189533 0.18269642189533 0.57554459475017 15.999 > 6 66 O 0.68269642189533 0.18269642189533 0.57554459475017 15.999 > 6 67 O 0.18269642189533 0.68269642189533 0.57554459475017 15.999 > 6 68 O 0.68269642189533 0.68269642189533 0.57554459475017 15.999 > 6 69 O 0.18269642189533 0.18269642189533 0.90887792808350 15.999 > 6 70 O 0.68269642189533 0.18269642189533 0.90887792808350 15.999 > 6 71 O 0.18269642189533 0.68269642189533 0.90887792808350 15.999 > 6 72 O 0.68269642189533 0.68269642189533 0.90887792808350 15.999 > 6 *73 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 7 74 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 7 75 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 7 76 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 7 77 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 7 78 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 7 79 Cd 0.00000000000000 0.50000000000000 0.33333333333333 112.411 > 7 80 Cd 0.50000000000000 0.50000000000000 0.33333333333333 112.411 > 7 81 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 7 82 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 7 83 Cd 0.00000000000000 0.50000000000000 0.66666666666667 112.411 > 7 84 Cd 0.50000000000000 0.50000000000000 0.66666666666667 112.411 > 7 *85 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 8 86 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 8 87 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 8 88 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 8 89 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 8 90 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 8 91 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 8 92 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 8 93 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 8 94 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 8 95 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 8 96 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 8 97 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 9 98 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 9 99 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 9 100 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 9 101 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 9 102 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 9 103 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 9 104 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 9 105 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 9 106 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 9 107 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 9 108 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5194496 0.0000000 0.0000000 0.0000000 4.5194496 0.0000000 0.0000000 0.0000000 3.9797135 -------------------------- Born effective charges -------------------------- 1 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 2 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 3 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 4 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 5 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 6 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 7 Cd 2.6283718 -0.0000000 -0.0000000 0.0000000 2.6283718 0.0000000 0.0000000 0.0000000 3.0133078 8 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 9 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 232 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (68, 65), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 160 - Time: 0.306 Solver_block: 160 / 160 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.538 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 420 Number of blocks in projector: 232 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 68 Use standard eigh solver. Tree of FC basis block matrices: - (420, 411), data: False |-- (68, 65), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:04:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.279053966165306 0.000000000000000 0.000000000000000 b -2.639526983082653 4.571794842648151 0.000000000000000 c 0.000000000000000 0.000000000000000 4.815787869999999 Atomic positions (fractional): 1 O 0.63460715620934 0.63460715620934 0.27336621574950 15.999 2 O 0.00000000000000 0.36539284379066 0.27336621574950 15.999 3 O 0.36539284379066 0.00000000000000 0.27336621574950 15.999 4 O 0.00000000000000 0.63460715620934 0.72663378425050 15.999 5 O 0.63460715620934 0.00000000000000 0.72663378425050 15.999 6 O 0.36539284379066 0.36539284379066 0.72663378425050 15.999 7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.558107932330612 0.000000000000000 0.000000000000000 b -5.279053966165306 9.143589685296302 0.000000000000000 c 0.000000000000000 0.000000000000000 14.447363609999998 Atomic positions (fractional): 1 O 0.31730357810467 0.31730357810467 0.09112207191650 15.999 > 1 2 O 0.81730357810467 0.31730357810467 0.09112207191650 15.999 > 1 3 O 0.31730357810467 0.81730357810467 0.09112207191650 15.999 > 1 4 O 0.81730357810467 0.81730357810467 0.09112207191650 15.999 > 1 5 O 0.31730357810467 0.31730357810467 0.42445540524983 15.999 > 1 6 O 0.81730357810467 0.31730357810467 0.42445540524983 15.999 > 1 7 O 0.31730357810467 0.81730357810467 0.42445540524983 15.999 > 1 8 O 0.81730357810467 0.81730357810467 0.42445540524983 15.999 > 1 9 O 0.31730357810467 0.31730357810467 0.75778873858317 15.999 > 1 10 O 0.81730357810467 0.31730357810467 0.75778873858317 15.999 > 1 11 O 0.31730357810467 0.81730357810467 0.75778873858317 15.999 > 1 12 O 0.81730357810467 0.81730357810467 0.75778873858317 15.999 > 1 13 O 0.00000000000000 0.18269642189533 0.09112207191650 15.999 > 13 14 O 0.50000000000000 0.18269642189533 0.09112207191650 15.999 > 13 15 O 0.00000000000000 0.68269642189533 0.09112207191650 15.999 > 13 16 O 0.50000000000000 0.68269642189533 0.09112207191650 15.999 > 13 17 O 0.00000000000000 0.18269642189533 0.42445540524983 15.999 > 13 18 O 0.50000000000000 0.18269642189533 0.42445540524983 15.999 > 13 19 O 0.00000000000000 0.68269642189533 0.42445540524983 15.999 > 13 20 O 0.50000000000000 0.68269642189533 0.42445540524983 15.999 > 13 21 O 0.00000000000000 0.18269642189533 0.75778873858317 15.999 > 13 22 O 0.50000000000000 0.18269642189533 0.75778873858317 15.999 > 13 23 O 0.00000000000000 0.68269642189533 0.75778873858317 15.999 > 13 24 O 0.50000000000000 0.68269642189533 0.75778873858317 15.999 > 13 25 O 0.18269642189533 0.00000000000000 0.09112207191650 15.999 > 25 26 O 0.68269642189533 0.00000000000000 0.09112207191650 15.999 > 25 27 O 0.18269642189533 0.50000000000000 0.09112207191650 15.999 > 25 28 O 0.68269642189533 0.50000000000000 0.09112207191650 15.999 > 25 29 O 0.18269642189533 0.00000000000000 0.42445540524983 15.999 > 25 30 O 0.68269642189533 0.00000000000000 0.42445540524983 15.999 > 25 31 O 0.18269642189533 0.50000000000000 0.42445540524983 15.999 > 25 32 O 0.68269642189533 0.50000000000000 0.42445540524983 15.999 > 25 33 O 0.18269642189533 0.00000000000000 0.75778873858317 15.999 > 25 34 O 0.68269642189533 0.00000000000000 0.75778873858317 15.999 > 25 35 O 0.18269642189533 0.50000000000000 0.75778873858317 15.999 > 25 36 O 0.68269642189533 0.50000000000000 0.75778873858317 15.999 > 25 37 O 0.00000000000000 0.31730357810467 0.24221126141683 15.999 > 37 38 O 0.50000000000000 0.31730357810467 0.24221126141683 15.999 > 37 39 O 0.00000000000000 0.81730357810467 0.24221126141683 15.999 > 37 40 O 0.50000000000000 0.81730357810467 0.24221126141683 15.999 > 37 41 O 0.00000000000000 0.31730357810467 0.57554459475017 15.999 > 37 42 O 0.50000000000000 0.31730357810467 0.57554459475017 15.999 > 37 43 O 0.00000000000000 0.81730357810467 0.57554459475017 15.999 > 37 44 O 0.50000000000000 0.81730357810467 0.57554459475017 15.999 > 37 45 O 0.00000000000000 0.31730357810467 0.90887792808350 15.999 > 37 46 O 0.50000000000000 0.31730357810467 0.90887792808350 15.999 > 37 47 O 0.00000000000000 0.81730357810467 0.90887792808350 15.999 > 37 48 O 0.50000000000000 0.81730357810467 0.90887792808350 15.999 > 37 49 O 0.31730357810467 0.00000000000000 0.24221126141683 15.999 > 49 50 O 0.81730357810467 0.00000000000000 0.24221126141683 15.999 > 49 51 O 0.31730357810467 0.50000000000000 0.24221126141683 15.999 > 49 52 O 0.81730357810467 0.50000000000000 0.24221126141683 15.999 > 49 53 O 0.31730357810467 0.00000000000000 0.57554459475017 15.999 > 49 54 O 0.81730357810467 0.00000000000000 0.57554459475017 15.999 > 49 55 O 0.31730357810467 0.50000000000000 0.57554459475017 15.999 > 49 56 O 0.81730357810467 0.50000000000000 0.57554459475017 15.999 > 49 57 O 0.31730357810467 0.00000000000000 0.90887792808350 15.999 > 49 58 O 0.81730357810467 0.00000000000000 0.90887792808350 15.999 > 49 59 O 0.31730357810467 0.50000000000000 0.90887792808350 15.999 > 49 60 O 0.81730357810467 0.50000000000000 0.90887792808350 15.999 > 49 61 O 0.18269642189533 0.18269642189533 0.24221126141683 15.999 > 61 62 O 0.68269642189533 0.18269642189533 0.24221126141683 15.999 > 61 63 O 0.18269642189533 0.68269642189533 0.24221126141683 15.999 > 61 64 O 0.68269642189533 0.68269642189533 0.24221126141683 15.999 > 61 65 O 0.18269642189533 0.18269642189533 0.57554459475017 15.999 > 61 66 O 0.68269642189533 0.18269642189533 0.57554459475017 15.999 > 61 67 O 0.18269642189533 0.68269642189533 0.57554459475017 15.999 > 61 68 O 0.68269642189533 0.68269642189533 0.57554459475017 15.999 > 61 69 O 0.18269642189533 0.18269642189533 0.90887792808350 15.999 > 61 70 O 0.68269642189533 0.18269642189533 0.90887792808350 15.999 > 61 71 O 0.18269642189533 0.68269642189533 0.90887792808350 15.999 > 61 72 O 0.68269642189533 0.68269642189533 0.90887792808350 15.999 > 61 73 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 73 74 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 73 75 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 73 76 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 73 77 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 73 78 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 73 79 Cd 0.00000000000000 0.50000000000000 0.33333333333333 112.411 > 73 80 Cd 0.50000000000000 0.50000000000000 0.33333333333333 112.411 > 73 81 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 73 82 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 73 83 Cd 0.00000000000000 0.50000000000000 0.66666666666667 112.411 > 73 84 Cd 0.50000000000000 0.50000000000000 0.66666666666667 112.411 > 73 85 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 85 86 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 85 87 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 85 88 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 85 89 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 85 90 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 85 91 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 85 92 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 85 93 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 85 94 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 85 95 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 85 96 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 85 97 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 97 98 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 97 99 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 97 100 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 97 101 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 97 102 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 97 103 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 97 104 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 97 105 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 97 106 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 97 107 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 97 108 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5194496 0.0000000 0.0000000 0.0000000 4.5194496 0.0000000 0.0000000 0.0000000 3.9797135 -------------------------- Born effective charges -------------------------- 1 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 2 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 3 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 4 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 5 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 6 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 7 Cd 2.6283718 -0.0000000 -0.0000000 0.0000000 2.6283718 0.0000000 0.0000000 0.0000000 3.0133078 8 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 9 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 ---------------------------------------------------------------------------- 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[ 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[ 85, 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: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:05:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:05:03]------------------------- 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): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.279053966165306 0.000000000000000 0.000000000000000 b -2.639526983082653 4.571794842648151 0.000000000000000 c 0.000000000000000 0.000000000000000 4.815787869999999 Atomic positions (fractional): 1 O 0.63460715620934 0.63460715620934 0.27336621574950 15.999 2 O 0.00000000000000 0.36539284379066 0.27336621574950 15.999 3 O 0.36539284379066 0.00000000000000 0.27336621574950 15.999 4 O 0.00000000000000 0.63460715620934 0.72663378425050 15.999 5 O 0.63460715620934 0.00000000000000 0.72663378425050 15.999 6 O 0.36539284379066 0.36539284379066 0.72663378425050 15.999 7 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.558107932330612 0.000000000000000 0.000000000000000 b -5.279053966165306 9.143589685296302 0.000000000000000 c 0.000000000000000 0.000000000000000 14.447363609999998 Atomic positions (fractional): 1 O 0.31730357810467 0.31730357810467 0.09112207191650 15.999 > 1 2 O 0.81730357810467 0.31730357810467 0.09112207191650 15.999 > 1 3 O 0.31730357810467 0.81730357810467 0.09112207191650 15.999 > 1 4 O 0.81730357810467 0.81730357810467 0.09112207191650 15.999 > 1 5 O 0.31730357810467 0.31730357810467 0.42445540524983 15.999 > 1 6 O 0.81730357810467 0.31730357810467 0.42445540524983 15.999 > 1 7 O 0.31730357810467 0.81730357810467 0.42445540524983 15.999 > 1 8 O 0.81730357810467 0.81730357810467 0.42445540524983 15.999 > 1 9 O 0.31730357810467 0.31730357810467 0.75778873858317 15.999 > 1 10 O 0.81730357810467 0.31730357810467 0.75778873858317 15.999 > 1 11 O 0.31730357810467 0.81730357810467 0.75778873858317 15.999 > 1 12 O 0.81730357810467 0.81730357810467 0.75778873858317 15.999 > 1 13 O 0.00000000000000 0.18269642189533 0.09112207191650 15.999 > 13 14 O 0.50000000000000 0.18269642189533 0.09112207191650 15.999 > 13 15 O 0.00000000000000 0.68269642189533 0.09112207191650 15.999 > 13 16 O 0.50000000000000 0.68269642189533 0.09112207191650 15.999 > 13 17 O 0.00000000000000 0.18269642189533 0.42445540524983 15.999 > 13 18 O 0.50000000000000 0.18269642189533 0.42445540524983 15.999 > 13 19 O 0.00000000000000 0.68269642189533 0.42445540524983 15.999 > 13 20 O 0.50000000000000 0.68269642189533 0.42445540524983 15.999 > 13 21 O 0.00000000000000 0.18269642189533 0.75778873858317 15.999 > 13 22 O 0.50000000000000 0.18269642189533 0.75778873858317 15.999 > 13 23 O 0.00000000000000 0.68269642189533 0.75778873858317 15.999 > 13 24 O 0.50000000000000 0.68269642189533 0.75778873858317 15.999 > 13 25 O 0.18269642189533 0.00000000000000 0.09112207191650 15.999 > 25 26 O 0.68269642189533 0.00000000000000 0.09112207191650 15.999 > 25 27 O 0.18269642189533 0.50000000000000 0.09112207191650 15.999 > 25 28 O 0.68269642189533 0.50000000000000 0.09112207191650 15.999 > 25 29 O 0.18269642189533 0.00000000000000 0.42445540524983 15.999 > 25 30 O 0.68269642189533 0.00000000000000 0.42445540524983 15.999 > 25 31 O 0.18269642189533 0.50000000000000 0.42445540524983 15.999 > 25 32 O 0.68269642189533 0.50000000000000 0.42445540524983 15.999 > 25 33 O 0.18269642189533 0.00000000000000 0.75778873858317 15.999 > 25 34 O 0.68269642189533 0.00000000000000 0.75778873858317 15.999 > 25 35 O 0.18269642189533 0.50000000000000 0.75778873858317 15.999 > 25 36 O 0.68269642189533 0.50000000000000 0.75778873858317 15.999 > 25 37 O 0.00000000000000 0.31730357810467 0.24221126141683 15.999 > 37 38 O 0.50000000000000 0.31730357810467 0.24221126141683 15.999 > 37 39 O 0.00000000000000 0.81730357810467 0.24221126141683 15.999 > 37 40 O 0.50000000000000 0.81730357810467 0.24221126141683 15.999 > 37 41 O 0.00000000000000 0.31730357810467 0.57554459475017 15.999 > 37 42 O 0.50000000000000 0.31730357810467 0.57554459475017 15.999 > 37 43 O 0.00000000000000 0.81730357810467 0.57554459475017 15.999 > 37 44 O 0.50000000000000 0.81730357810467 0.57554459475017 15.999 > 37 45 O 0.00000000000000 0.31730357810467 0.90887792808350 15.999 > 37 46 O 0.50000000000000 0.31730357810467 0.90887792808350 15.999 > 37 47 O 0.00000000000000 0.81730357810467 0.90887792808350 15.999 > 37 48 O 0.50000000000000 0.81730357810467 0.90887792808350 15.999 > 37 49 O 0.31730357810467 0.00000000000000 0.24221126141683 15.999 > 49 50 O 0.81730357810467 0.00000000000000 0.24221126141683 15.999 > 49 51 O 0.31730357810467 0.50000000000000 0.24221126141683 15.999 > 49 52 O 0.81730357810467 0.50000000000000 0.24221126141683 15.999 > 49 53 O 0.31730357810467 0.00000000000000 0.57554459475017 15.999 > 49 54 O 0.81730357810467 0.00000000000000 0.57554459475017 15.999 > 49 55 O 0.31730357810467 0.50000000000000 0.57554459475017 15.999 > 49 56 O 0.81730357810467 0.50000000000000 0.57554459475017 15.999 > 49 57 O 0.31730357810467 0.00000000000000 0.90887792808350 15.999 > 49 58 O 0.81730357810467 0.00000000000000 0.90887792808350 15.999 > 49 59 O 0.31730357810467 0.50000000000000 0.90887792808350 15.999 > 49 60 O 0.81730357810467 0.50000000000000 0.90887792808350 15.999 > 49 61 O 0.18269642189533 0.18269642189533 0.24221126141683 15.999 > 61 62 O 0.68269642189533 0.18269642189533 0.24221126141683 15.999 > 61 63 O 0.18269642189533 0.68269642189533 0.24221126141683 15.999 > 61 64 O 0.68269642189533 0.68269642189533 0.24221126141683 15.999 > 61 65 O 0.18269642189533 0.18269642189533 0.57554459475017 15.999 > 61 66 O 0.68269642189533 0.18269642189533 0.57554459475017 15.999 > 61 67 O 0.18269642189533 0.68269642189533 0.57554459475017 15.999 > 61 68 O 0.68269642189533 0.68269642189533 0.57554459475017 15.999 > 61 69 O 0.18269642189533 0.18269642189533 0.90887792808350 15.999 > 61 70 O 0.68269642189533 0.18269642189533 0.90887792808350 15.999 > 61 71 O 0.18269642189533 0.68269642189533 0.90887792808350 15.999 > 61 72 O 0.68269642189533 0.68269642189533 0.90887792808350 15.999 > 61 73 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 73 74 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 73 75 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 73 76 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 73 77 Cd 0.00000000000000 0.00000000000000 0.33333333333333 112.411 > 73 78 Cd 0.50000000000000 0.00000000000000 0.33333333333333 112.411 > 73 79 Cd 0.00000000000000 0.50000000000000 0.33333333333333 112.411 > 73 80 Cd 0.50000000000000 0.50000000000000 0.33333333333333 112.411 > 73 81 Cd 0.00000000000000 0.00000000000000 0.66666666666667 112.411 > 73 82 Cd 0.50000000000000 0.00000000000000 0.66666666666667 112.411 > 73 83 Cd 0.00000000000000 0.50000000000000 0.66666666666667 112.411 > 73 84 Cd 0.50000000000000 0.50000000000000 0.66666666666667 112.411 > 73 85 Sb 0.16666666666667 0.33333333333333 0.16666666666667 121.760 > 85 86 Sb 0.66666666666667 0.33333333333333 0.16666666666667 121.760 > 85 87 Sb 0.16666666666667 0.83333333333333 0.16666666666667 121.760 > 85 88 Sb 0.66666666666667 0.83333333333333 0.16666666666667 121.760 > 85 89 Sb 0.16666666666667 0.33333333333333 0.50000000000000 121.760 > 85 90 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 85 91 Sb 0.16666666666667 0.83333333333333 0.50000000000000 121.760 > 85 92 Sb 0.66666666666667 0.83333333333333 0.50000000000000 121.760 > 85 93 Sb 0.16666666666667 0.33333333333333 0.83333333333333 121.760 > 85 94 Sb 0.66666666666667 0.33333333333333 0.83333333333333 121.760 > 85 95 Sb 0.16666666666667 0.83333333333333 0.83333333333333 121.760 > 85 96 Sb 0.66666666666667 0.83333333333333 0.83333333333333 121.760 > 85 97 Sb 0.33333333333333 0.16666666666667 0.16666666666667 121.760 > 97 98 Sb 0.83333333333333 0.16666666666667 0.16666666666667 121.760 > 97 99 Sb 0.33333333333333 0.66666666666667 0.16666666666667 121.760 > 97 100 Sb 0.83333333333333 0.66666666666667 0.16666666666667 121.760 > 97 101 Sb 0.33333333333333 0.16666666666667 0.50000000000000 121.760 > 97 102 Sb 0.83333333333333 0.16666666666667 0.50000000000000 121.760 > 97 103 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 97 104 Sb 0.83333333333333 0.66666666666667 0.50000000000000 121.760 > 97 105 Sb 0.33333333333333 0.16666666666667 0.83333333333333 121.760 > 97 106 Sb 0.83333333333333 0.16666666666667 0.83333333333333 121.760 > 97 107 Sb 0.33333333333333 0.66666666666667 0.83333333333333 121.760 > 97 108 Sb 0.83333333333333 0.66666666666667 0.83333333333333 121.760 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5194496 0.0000000 0.0000000 0.0000000 4.5194496 0.0000000 0.0000000 0.0000000 3.9797135 -------------------------- Born effective charges -------------------------- 1 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 2 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 3 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 4 O -2.2850497 -0.3190987 0.2383197 -0.3190987 -1.9165862 -0.4127819 0.2615151 -0.4529574 -1.5376881 5 O -1.7323545 0.0000000 -0.4766394 0.0000000 -2.4692815 0.0000000 -0.5230302 -0.0000000 -1.5376881 6 O -2.2850497 0.3190987 0.2383197 0.3190987 -1.9165862 0.4127819 0.2615151 0.4529574 -1.5376881 7 Cd 2.6283718 -0.0000000 -0.0000000 0.0000000 2.6283718 0.0000000 0.0000000 0.0000000 3.0133078 8 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 9 Sb 4.9882680 0.0000000 -0.0000000 0.0000000 4.9882680 0.0000000 0.0000000 0.0000000 3.1064105 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) 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 ... [ 11 11 10 ] 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: 0.85, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 8.686 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 15.635 ( 0.000 0.000 0.000) 0.000 15.635 ( 0.000 0.000 0.000) 0.000 16.756 ( 0.000 0.000 0.000) 0.000 16.756 ( 0.000 0.000 0.000) 0.000 16.812 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 19.174 ( 0.000 0.000 0.000) 0.000 19.174 ( 0.000 0.000 0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.331 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 21.833 12.605 0.000) 25.211 0.654 ( 27.887 16.101 0.000) 32.201 1.268 ( 54.461 31.443 0.000) 62.887 3.331 ( -1.720 -0.993 0.000) 1.986 3.599 ( -10.507 -6.066 0.000) 12.133 4.020 ( 6.363 3.674 0.000) 7.347 4.092 ( -4.632 -2.674 0.000) 5.349 6.779 ( -1.371 -0.791 0.000) 1.583 6.806 ( 1.008 0.582 0.000) 1.164 7.962 ( -5.437 -3.139 0.000) 6.279 8.681 ( -0.428 -0.247 0.000) 0.495 9.268 ( -7.995 -4.616 0.000) 9.231 9.394 ( 2.634 1.521 0.000) 3.041 9.678 ( -7.724 -4.459 0.000) 8.919 9.970 ( 5.968 3.446 0.000) 6.892 15.472 ( -3.991 -2.304 0.000) 4.608 15.564 ( 0.529 0.305 0.000) 0.611 15.786 ( 9.497 5.483 0.000) 10.967 16.623 ( -10.508 -6.067 0.000) 12.133 16.688 ( 4.123 2.380 0.000) 4.760 16.758 ( -4.246 -2.451 0.000) 4.902 17.426 ( 4.507 2.602 0.000) 5.204 19.142 ( -2.606 -1.504 0.000) 3.009 19.203 ( 2.374 1.371 0.000) 2.741 19.308 ( -0.525 -0.303 0.000) 0.606 19.362 ( 2.475 1.429 0.000) 2.857 20.280 ( -1.121 -0.647 0.000) 1.295 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 23.094 13.333 0.000) 26.666 1.268 ( 25.317 14.617 0.000) 29.234 2.473 ( 49.281 28.452 0.000) 56.905 3.285 ( -2.063 -1.191 0.000) 2.383 3.358 ( -10.235 -5.909 0.000) 11.819 3.959 ( -5.702 -3.292 0.000) 6.584 4.117 ( 1.769 1.021 0.000) 2.042 6.729 ( -2.950 -1.703 0.000) 3.406 6.840 ( 1.955 1.129 0.000) 2.257 7.795 ( -8.636 -4.986 0.000) 9.972 8.668 ( -0.684 -0.395 0.000) 0.790 9.009 ( -14.183 -8.189 0.000) 16.377 9.469 ( -10.553 -6.093 0.000) 12.186 9.471 ( 3.813 2.201 0.000) 4.403 10.111 ( 6.251 3.609 0.000) 7.218 15.393 ( -2.964 -1.711 0.000) 3.423 15.582 ( 1.053 0.608 0.000) 1.216 16.042 ( 12.376 7.146 0.000) 14.291 16.331 ( -13.740 -7.933 0.000) 15.866 16.634 ( -6.080 -3.510 0.000) 7.020 16.816 ( 6.696 3.866 0.000) 7.732 17.519 ( 3.044 1.757 0.000) 3.515 19.062 ( -4.208 -2.429 0.000) 4.859 19.272 ( 3.287 1.898 0.000) 3.795 19.300 ( -0.042 -0.024 0.000) 0.049 19.433 ( 3.488 2.014 0.000) 4.028 20.241 ( -2.331 -1.346 0.000) 2.691 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 22.954 13.253 0.000) 26.505 1.810 ( 22.023 12.715 0.000) 25.430 3.132 ( -9.217 -5.322 0.000) 10.643 3.252 ( -0.861 -0.497 0.000) 0.994 3.310 ( 13.135 7.584 0.000) 15.167 4.057 ( 24.979 14.422 0.000) 28.844 4.088 ( -4.464 -2.577 0.000) 5.154 6.652 ( -3.435 -1.983 0.000) 3.967 6.885 ( 1.496 0.864 0.000) 1.727 7.587 ( -8.934 -5.158 0.000) 10.316 8.637 ( -17.589 -10.155 0.000) 20.311 8.646 ( -1.302 -0.751 0.000) 1.503 9.200 ( -12.551 -7.246 0.000) 14.493 9.561 ( 3.847 2.221 0.000) 4.442 10.251 ( 5.786 3.340 0.000) 6.681 15.331 ( -2.474 -1.429 0.000) 2.857 15.611 ( 1.329 0.767 0.000) 1.535 15.994 ( -13.246 -7.648 0.000) 15.295 16.374 ( 14.435 8.334 0.000) 16.668 16.496 ( -5.627 -3.249 0.000) 6.498 16.978 ( 7.021 4.053 0.000) 8.107 17.550 ( -0.485 -0.280 0.000) 0.560 18.959 ( -4.580 -2.644 0.000) 5.288 19.309 ( 0.827 0.477 0.000) 0.955 19.344 ( 2.811 1.623 0.000) 3.246 19.515 ( 3.554 2.052 0.000) 4.103 20.175 ( -3.314 -1.914 0.000) 3.827 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 17.258 9.964 0.000) 19.928 2.302 ( 21.412 12.362 0.000) 24.724 2.933 ( -7.968 -4.600 0.000) 9.201 3.240 ( -0.783 -0.452 0.000) 0.904 3.275 ( -6.830 -3.944 0.000) 7.887 3.916 ( -10.017 -5.784 0.000) 11.567 4.919 ( 40.936 23.634 0.000) 47.268 6.584 ( -2.312 -1.335 0.000) 2.669 6.864 ( -4.987 -2.879 0.000) 5.759 7.405 ( -6.516 -3.762 0.000) 7.524 8.247 ( -14.857 -8.578 0.000) 17.156 8.609 ( -1.777 -1.026 0.000) 2.052 8.915 ( -11.592 -6.692 0.000) 13.385 9.641 ( 2.994 1.729 0.000) 3.457 10.367 ( 4.134 2.387 0.000) 4.774 15.277 ( -2.235 -1.290 0.000) 2.580 15.640 ( 1.121 0.647 0.000) 1.294 15.729 ( -9.191 -5.306 0.000) 10.612 16.385 ( -3.817 -2.204 0.000) 4.408 16.712 ( 14.413 8.321 0.000) 16.642 17.122 ( 5.216 3.012 0.000) 6.023 17.493 ( -4.521 -2.610 0.000) 5.221 18.863 ( -3.503 -2.022 0.000) 4.045 19.334 ( 1.269 0.733 0.000) 1.465 19.396 ( 1.726 0.996 0.000) 1.992 19.590 ( 2.796 1.615 0.000) 3.229 20.096 ( -3.353 -1.936 0.000) 3.871 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 7.518 4.341 0.000) 8.682 2.727 ( 3.993 2.305 0.000) 4.610 2.834 ( 10.497 6.061 0.000) 12.121 3.146 ( -3.268 -1.887 0.000) 3.774 3.156 ( -8.452 -4.880 0.000) 9.760 3.695 ( -6.660 -3.845 0.000) 7.690 5.773 ( 30.354 17.525 0.000) 35.050 6.549 ( -0.727 -0.420 0.000) 0.839 6.596 ( -17.151 -9.902 0.000) 19.804 7.302 ( -2.344 -1.353 0.000) 2.707 8.021 ( -4.420 -2.552 0.000) 5.104 8.576 ( -0.893 -0.515 0.000) 1.031 8.709 ( -5.264 -3.039 0.000) 6.078 9.690 ( 1.157 0.668 0.000) 1.336 10.434 ( 1.502 0.867 0.000) 1.735 15.235 ( -1.149 -0.664 0.000) 1.327 15.588 ( -3.020 -1.743 0.000) 3.487 15.658 ( 0.439 0.253 0.000) 0.507 16.325 ( -1.328 -0.767 0.000) 1.534 17.007 ( 9.947 5.743 0.000) 11.486 17.206 ( 1.918 1.107 0.000) 2.215 17.356 ( -6.397 -3.693 0.000) 7.387 18.806 ( -1.310 -0.756 0.000) 1.512 19.359 ( 0.655 0.378 0.000) 0.756 19.422 ( 0.564 0.325 0.000) 0.651 19.637 ( 1.152 0.665 0.000) 1.330 20.035 ( -1.562 -0.902 0.000) 1.803 ======================= Grid point 12 (7/136) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 13.091 22.675 -2.629) 26.315 1.120 ( 15.885 27.513 5.311) 32.210 2.156 ( 29.447 51.004 -2.686) 58.955 3.299 ( -1.153 -1.998 -0.435) 2.348 3.423 ( -5.956 -10.315 -1.753) 12.039 3.991 ( -3.960 -6.859 3.841) 8.803 4.105 ( 2.026 3.509 -3.786) 5.546 6.781 ( -0.655 -1.135 -4.626) 4.808 6.789 ( -0.158 -0.273 7.317) 7.324 7.855 ( -4.151 -7.190 -0.186) 8.305 8.651 ( -1.564 -2.709 -7.616) 8.234 9.172 ( -4.732 -8.196 5.126) 10.763 9.353 ( -1.362 -2.359 2.353) 3.599 9.554 ( -4.233 -7.332 -1.997) 8.699 10.082 ( 4.062 7.036 0.788) 8.163 15.335 ( -3.567 -6.179 4.171) 8.264 15.745 ( 5.085 8.808 0.713) 10.196 15.870 ( 3.758 6.510 -7.101) 10.340 16.453 ( -6.587 -11.408 -4.935) 14.067 16.564 ( -5.503 -9.532 -3.412) 11.523 16.854 ( 4.953 8.579 12.231) 15.739 17.495 ( 1.978 3.427 -1.220) 4.141 19.116 ( -1.361 -2.357 3.918) 4.771 19.209 ( -0.078 -0.135 4.261) 4.264 19.314 ( 0.834 1.444 -2.849) 3.301 19.412 ( 1.952 3.381 0.434) 3.928 20.254 ( -1.158 -2.006 -5.864) 6.305 ======================= Grid point 13 (8/136) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 17.519 20.581 -2.499) 27.143 1.667 ( 16.873 23.992 3.912) 29.591 3.099 ( 24.145 26.099 -5.584) 35.991 3.217 ( -7.205 -7.358 -1.248) 10.373 3.276 ( 1.195 2.882 2.702) 4.127 3.899 ( 3.981 0.953 3.859) 5.626 4.129 ( -1.505 -0.445 -4.926) 5.170 6.710 ( -4.875 -0.653 -1.828) 5.247 6.816 ( 3.730 -3.355 3.709) 6.239 7.693 ( -7.169 -4.804 -0.362) 8.637 8.566 ( -2.290 -9.186 -7.500) 12.078 8.937 ( -15.072 -0.534 5.011) 15.892 9.264 ( -4.195 -11.798 2.353) 12.741 9.461 ( 2.555 -4.102 -1.244) 4.990 10.230 ( 4.200 7.676 1.424) 8.865 15.236 ( 0.375 -8.691 3.394) 9.338 15.810 ( -8.305 15.697 -4.234) 18.256 16.108 ( 9.526 -0.798 -5.044) 10.809 16.192 ( -5.557 -4.857 -1.747) 7.584 16.401 ( 0.801 -14.843 -2.734) 15.114 17.042 ( 2.975 14.678 12.087) 19.246 17.539 ( 0.924 -0.118 -1.606) 1.856 19.035 ( -5.632 -0.822 3.716) 6.797 19.212 ( 3.299 -4.895 6.361) 8.678 19.365 ( 1.503 4.009 -4.016) 5.870 19.489 ( 2.743 3.448 0.547) 4.440 20.200 ( -2.336 -2.774 -6.673) 7.595 ======================= Grid point 14 (9/136) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 17.374 18.356 -1.715) 25.333 2.164 ( 14.787 21.420 2.495) 26.147 3.026 ( -7.734 -4.769 0.023) 9.086 3.224 ( -0.036 -2.059 -0.527) 2.126 3.357 ( -4.846 -2.249 -0.434) 5.360 4.018 ( -7.506 -4.252 -4.461) 9.712 4.486 ( 36.178 26.300 -0.013) 44.728 6.618 ( -3.895 -1.886 -2.946) 5.236 6.823 ( 1.827 -6.970 2.455) 7.612 7.534 ( -7.951 0.102 0.274) 7.957 8.356 ( -8.947 -12.703 -1.413) 15.602 8.722 ( -10.472 3.144 0.805) 10.963 9.021 ( -9.660 -10.125 -0.092) 13.994 9.506 ( 7.613 -7.061 0.884) 10.421 10.368 ( 2.726 7.663 1.931) 8.360 15.167 ( 2.382 -10.277 2.566) 10.857 15.794 ( -8.446 5.736 -10.620) 14.732 15.901 ( -12.216 4.822 4.699) 13.948 16.257 ( 4.058 -16.360 -8.654) 18.948 16.495 ( 17.091 4.002 0.622) 17.564 17.228 ( -0.584 17.185 11.601) 20.742 17.519 ( -1.501 -2.737 -0.148) 3.125 18.925 ( -5.597 -1.070 2.146) 6.089 19.224 ( 4.471 -6.345 7.797) 11.002 19.432 ( 0.981 4.836 -4.795) 6.881 19.567 ( 2.465 3.025 0.376) 3.920 20.122 ( -2.913 -3.388 -5.998) 7.479 ======================= Grid point 15 (10/136) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 9.636 15.521 -0.684) 18.282 2.619 ( 15.272 17.610 2.823) 23.480 2.853 ( -7.544 -3.189 1.368) 8.304 3.145 ( -3.500 -5.740 3.821) 7.732 3.280 ( -3.410 2.025 -6.983) 8.031 3.789 ( -10.830 -7.056 -4.554) 13.705 5.363 ( 35.806 19.618 -1.073) 40.842 6.549 ( -1.565 -2.687 -2.420) 3.940 6.688 ( -6.949 -13.129 -1.937) 14.981 7.431 ( -7.568 5.850 3.042) 10.038 8.095 ( -8.035 -5.662 3.432) 10.411 8.618 ( -4.529 1.003 -1.842) 4.991 8.774 ( -7.740 -7.058 -1.302) 10.555 9.561 ( 7.658 -8.936 1.211) 11.831 10.467 ( 0.170 6.733 2.263) 7.106 15.114 ( 3.711 -10.691 1.565) 11.425 15.641 ( -6.105 -2.927 -4.924) 8.372 15.857 ( -9.142 15.818 0.608) 18.280 16.178 ( 5.509 -15.189 -9.232) 18.609 16.826 ( 15.663 4.005 -0.468) 16.174 17.311 ( -5.363 5.259 2.370) 7.876 17.468 ( -4.597 7.183 10.619) 13.619 18.835 ( -3.293 -1.032 0.438) 3.479 19.238 ( 4.945 -7.366 9.276) 12.836 19.488 ( -0.566 5.320 -6.295) 8.262 19.627 ( 1.426 2.012 0.051) 2.467 20.043 ( -1.944 -3.316 -4.788) 6.140 ======================= Grid point 16 (11/136) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -5.706 9.883 -0.970) 11.453 2.734 ( -0.616 1.067 2.139) 2.469 2.940 ( 1.543 -2.673 14.644) 14.966 3.063 ( -0.877 1.519 -2.789) 3.294 3.226 ( -4.851 8.402 -13.923) 16.970 3.624 ( 1.839 -3.185 -3.193) 4.870 5.920 ( 3.453 -5.981 -1.969) 7.182 6.404 ( 2.853 -4.941 3.161) 6.522 6.538 ( 0.507 -0.879 -9.242) 9.297 7.392 ( -5.537 9.591 5.356) 12.302 8.002 ( -0.262 0.454 4.547) 4.577 8.584 ( -0.748 1.296 -2.137) 2.609 8.662 ( 0.895 -1.551 -2.058) 2.728 9.584 ( 5.995 -10.383 1.233) 12.053 10.503 ( -2.954 5.116 2.377) 6.368 15.091 ( 5.637 -9.764 1.003) 11.319 15.572 ( -0.125 0.216 -3.072) 3.083 15.859 ( -9.038 15.655 -0.453) 18.082 16.150 ( 7.898 -13.679 -9.699) 18.536 17.045 ( 1.625 -2.814 0.366) 3.270 17.212 ( 1.002 -1.735 -3.832) 4.325 17.483 ( -8.955 15.510 16.575) 24.402 18.800 ( -0.078 0.134 -0.355) 0.387 19.244 ( 4.656 -8.064 9.974) 13.645 19.511 ( -2.795 4.842 -7.187) 9.106 19.651 ( -0.393 0.682 -0.213) 0.815 20.007 ( 1.087 -1.883 -4.028) 4.578 ======================= Grid point 25 (12/136) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 13.490 23.365 -2.835) 27.128 2.156 ( 13.778 23.864 4.008) 27.845 3.077 ( -3.578 -6.198 -0.318) 7.164 3.212 ( -0.551 -0.954 -2.361) 2.605 3.387 ( -2.338 -4.050 0.968) 4.775 4.076 ( -2.960 -5.126 -6.909) 9.098 4.277 ( 20.149 34.899 0.807) 40.306 6.668 ( -2.540 -4.399 -9.680) 10.932 6.739 ( -2.091 -3.622 9.354) 10.247 7.613 ( -1.744 -3.021 0.607) 3.540 8.357 ( -6.396 -11.077 -3.587) 13.285 8.901 ( -2.670 -4.625 1.045) 5.441 9.030 ( -6.435 -11.146 1.614) 12.971 9.363 ( -2.473 -4.284 0.718) 4.998 10.388 ( 4.460 7.725 2.594) 9.289 15.088 ( -3.630 -6.287 2.727) 7.755 15.965 ( -4.255 -7.369 -13.518) 15.974 16.048 ( -4.722 -8.180 -7.929) 12.332 16.181 ( 2.672 4.627 -0.921) 5.422 16.236 ( 4.852 8.403 7.016) 11.974 17.344 ( 8.589 14.877 14.932) 22.761 17.506 ( -1.896 -3.283 -2.420) 4.498 19.004 ( -1.823 -3.157 5.280) 6.417 19.116 ( -2.182 -3.779 6.131) 7.525 19.447 ( 2.398 4.153 -3.601) 5.997 19.562 ( 2.141 3.709 0.834) 4.363 20.130 ( -2.399 -4.156 -9.029) 10.225 ======================= Grid point 26 (13/136) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 12.811 20.642 -1.422) 24.336 2.580 ( 10.624 17.568 3.251) 20.786 2.974 ( -5.604 1.205 1.512) 5.928 3.149 ( -3.441 -5.749 2.167) 7.042 3.297 ( 0.156 -2.355 -4.755) 5.309 3.909 ( -9.418 -6.976 -7.463) 13.894 5.021 ( 27.411 26.138 -1.783) 37.918 6.565 ( -4.091 -3.706 -6.630) 8.627 6.633 ( -2.609 -11.475 0.934) 11.805 7.585 ( -2.381 4.926 3.639) 6.571 8.152 ( -5.831 -7.500 3.370) 10.080 8.757 ( -9.188 -0.219 -1.861) 9.377 8.820 ( -6.501 -9.404 -1.779) 11.570 9.322 ( 5.726 -10.253 2.605) 12.029 10.522 ( 2.184 7.188 3.388) 8.241 14.984 ( -0.295 -7.797 1.678) 7.981 15.747 ( -10.178 -3.540 -7.835) 13.323 15.932 ( 4.227 -15.029 -9.297) 18.170 16.192 ( -9.230 16.271 -0.288) 18.709 16.564 ( 18.231 3.655 1.109) 18.627 17.395 ( -5.164 -5.599 -2.142) 7.912 17.621 ( 3.776 17.134 17.265) 24.615 18.907 ( -5.926 -0.837 3.230) 6.801 19.077 ( 3.795 -8.149 7.263) 11.557 19.527 ( 1.715 4.693 -3.850) 6.308 19.628 ( 1.485 2.818 0.649) 3.250 20.041 ( -2.552 -4.681 -8.975) 10.439 ======================= Grid point 27 (14/136) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 5.513 16.426 0.823) 17.346 2.788 ( -0.364 -1.069 5.235) 5.356 2.910 ( -4.328 5.653 4.983) 8.690 3.093 ( 0.449 3.172 -3.622) 4.835 3.353 ( 4.667 5.775 -6.832) 10.090 3.633 ( -12.056 -8.476 -7.078) 16.349 5.662 ( 22.463 10.426 -2.988) 24.944 6.362 ( -7.425 -15.445 2.377) 17.301 6.521 ( -0.619 -2.818 -13.640) 13.942 7.615 ( -5.050 12.034 8.672) 15.669 8.029 ( -2.955 -1.398 8.507) 9.113 8.634 ( -4.220 0.258 -3.923) 5.767 8.649 ( -3.296 -4.980 -4.314) 7.367 9.330 ( 8.095 -13.095 2.911) 15.668 10.598 ( -1.050 5.777 3.784) 6.985 14.926 ( 2.624 -7.664 0.792) 8.140 15.599 ( -3.781 -1.176 -5.394) 6.691 15.881 ( 6.214 -13.307 -10.765) 18.210 16.194 ( -9.755 17.075 -0.676) 19.677 16.885 ( 14.387 1.998 0.135) 14.526 17.217 ( -6.227 -8.637 -2.276) 10.888 17.794 ( -4.976 18.277 20.228) 27.712 18.819 ( -2.727 -0.587 0.346) 2.811 19.069 ( 5.188 -9.306 8.351) 13.537 19.589 ( -0.469 4.799 -4.330) 6.481 19.664 ( 0.147 1.537 -0.044) 1.545 19.967 ( -0.268 -4.227 -8.012) 9.063 ======================= Grid point 37 (15/136) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 8.935 15.476 3.891) 18.288 2.759 ( 1.375 2.382 4.571) 5.335 3.038 ( -1.573 -2.724 -3.028) 4.366 3.138 ( 6.424 11.126 0.514) 12.858 3.262 ( -0.530 -0.919 -6.085) 6.177 3.733 ( -6.099 -10.564 -6.782) 13.957 5.499 ( 12.542 21.723 -3.732) 25.359 6.347 ( -9.184 -15.907 1.661) 18.442 6.510 ( -1.463 -2.534 -14.645) 14.934 7.727 ( 5.081 8.801 9.384) 13.833 8.052 ( -1.834 -3.177 10.074) 10.721 8.650 ( -3.612 -6.256 -4.182) 8.347 8.710 ( -3.096 -5.362 -6.605) 9.053 9.153 ( -3.209 -5.558 4.707) 7.959 10.638 ( 2.384 4.129 4.238) 6.379 14.863 ( -2.434 -4.216 0.659) 4.912 15.678 ( -3.462 -5.997 -6.153) 9.263 15.706 ( -2.567 -4.446 -10.730) 11.895 16.440 ( 3.915 6.781 -1.246) 7.929 16.694 ( 6.282 10.881 0.792) 12.589 17.229 ( -5.956 -10.316 -1.995) 12.077 17.942 ( 7.753 13.429 21.393) 26.422 18.885 ( -1.444 -2.502 3.554) 4.580 18.922 ( -3.246 -5.622 4.385) 7.834 19.617 ( 2.410 4.174 -2.805) 5.576 19.673 ( 0.904 1.565 0.624) 1.912 19.945 ( -2.638 -4.569 -10.391) 11.654 ======================= Grid point 38 (16/136) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -0.441 0.764 7.026) 7.081 2.787 ( 0.022 -0.038 10.973) 10.973 3.061 ( -7.140 12.366 -9.429) 17.112 3.176 ( -1.947 3.373 -6.393) 7.485 3.362 ( 5.882 -10.188 -7.868) 14.152 3.561 ( -2.044 3.540 -1.097) 4.233 5.813 ( -3.210 5.559 -3.734) 7.426 6.085 ( 6.051 -10.480 -1.350) 12.176 6.484 ( 0.561 -0.972 -15.833) 15.873 7.855 ( -5.649 9.784 13.924) 17.930 8.007 ( 0.985 -1.706 13.598) 13.740 8.588 ( 0.369 -0.638 -7.960) 7.994 8.626 ( 0.801 -1.387 -8.001) 8.160 9.103 ( 4.340 -7.517 5.230) 10.133 10.679 ( -1.252 2.169 4.515) 5.163 14.821 ( 1.580 -2.737 0.211) 3.167 15.599 ( -0.772 1.338 -7.144) 7.309 15.679 ( 3.847 -6.664 -9.668) 12.357 16.494 ( -6.367 11.028 -0.737) 12.756 16.900 ( 0.480 -0.831 -0.199) 0.980 17.045 ( 3.782 -6.551 -1.715) 7.757 18.091 ( -5.489 9.508 24.835) 27.153 18.818 ( -0.529 0.916 0.685) 1.260 18.893 ( 4.134 -7.160 4.176) 9.262 19.671 ( -1.605 2.781 -1.141) 3.408 19.686 ( -0.381 0.660 -0.061) 0.765 19.889 ( 1.644 -2.848 -11.434) 11.898 ======================= Grid point 133 (17/136) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 -0.000 23.468) 23.468 0.493 ( 0.000 0.000 23.468) 23.468 0.914 ( 0.000 -0.000 43.171) 43.171 3.814 ( 0.000 -0.000 -4.699) 4.699 3.814 ( 0.000 -0.000 -4.699) 4.699 3.849 ( 0.000 0.000 4.168) 4.168 4.599 ( -0.000 0.000 1.033) 1.033 6.676 ( 0.000 -0.000 -10.691) 10.691 6.676 ( 0.000 0.000 -10.691) 10.691 8.072 ( 0.000 0.000 3.435) 3.435 8.755 ( 0.000 -0.000 6.053) 6.053 8.755 ( 0.000 0.000 6.053) 6.053 9.359 ( 0.000 0.000 -0.282) 0.282 9.359 ( 0.000 0.000 -0.282) 0.282 9.799 ( 0.000 0.000 -4.000) 4.000 15.468 ( 0.000 -0.000 -5.747) 5.747 15.468 ( 0.000 0.000 -5.747) 5.747 15.698 ( 0.000 -0.000 3.033) 3.033 15.698 ( -0.000 -0.000 3.033) 3.033 16.673 ( 0.000 0.000 -7.341) 7.341 16.673 ( 0.000 -0.000 -7.341) 7.341 17.388 ( -0.000 0.000 2.640) 2.640 19.223 ( 0.000 0.000 4.390) 4.390 19.223 ( -0.000 -0.000 4.390) 4.390 19.288 ( 0.000 -0.000 -2.353) 2.353 19.313 ( 0.000 0.000 -1.632) 1.632 19.806 ( 0.000 0.000 4.783) 4.783 ======================= Grid point 134 (18/136) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 16.625 14.728 14.444) 26.494 0.867 ( 15.998 13.438 20.163) 29.035 1.490 ( 46.196 20.797 20.712) 54.732 3.595 ( -8.027 -9.443 -0.498) 12.404 3.701 ( -11.145 -2.715 15.772) 19.502 4.001 ( 2.825 -3.224 1.028) 4.408 4.095 ( -11.150 -3.713 1.781) 11.886 6.618 ( -3.793 1.420 -12.642) 13.275 6.760 ( 2.800 2.345 -6.636) 7.575 7.998 ( -5.612 -3.206 3.474) 7.338 8.731 ( 4.783 -12.212 4.009) 13.714 9.238 ( -10.380 4.200 -3.169) 11.638 9.308 ( 2.548 12.657 -9.766) 16.189 9.497 ( 10.240 -3.139 -5.490) 12.035 9.861 ( 8.918 5.342 -4.475) 11.318 15.414 ( -8.784 10.200 -4.940) 14.339 15.563 ( 2.979 -4.840 0.176) 5.686 15.778 ( 16.239 -7.870 -2.968) 18.288 16.231 ( 18.607 18.754 -21.037) 33.771 16.547 ( -4.973 -10.452 -6.451) 13.251 16.750 ( -0.782 9.981 -4.810) 11.107 17.439 ( 4.070 1.354 1.408) 4.515 19.136 ( -1.878 -1.382 -1.242) 2.642 19.197 ( -5.212 2.584 3.677) 6.882 19.306 ( 0.499 0.291 -1.377) 1.493 19.353 ( 2.419 2.458 -0.651) 3.510 20.025 ( 12.805 0.154 -7.842) 15.016 ======================= Grid point 135 (19/136) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 20.751 8.842 13.605) 26.342 1.348 ( 18.973 19.089 7.942) 28.061 2.549 ( 46.940 21.969 7.743) 52.402 3.367 ( -8.276 -8.356 0.377) 11.767 3.498 ( -6.800 -4.468 17.043) 18.886 3.860 ( -7.018 2.557 -7.599) 10.656 4.141 ( 4.804 -3.211 1.194) 5.901 6.563 ( -3.314 -0.313 -12.774) 13.200 6.830 ( 2.082 3.457 -3.628) 5.427 7.829 ( -8.434 -5.402 3.318) 10.551 8.673 ( 3.208 -13.481 0.233) 13.860 8.996 ( -17.950 0.797 -1.120) 18.002 9.356 ( -7.541 1.599 -7.302) 10.618 9.497 ( 2.782 -2.508 0.346) 3.761 10.108 ( 9.104 6.571 0.095) 11.228 15.365 ( -7.410 8.235 -2.746) 11.413 15.568 ( 5.187 -8.230 -0.582) 9.746 16.017 ( 15.408 -0.499 -4.132) 15.960 16.303 ( -8.363 -9.193 -3.988) 13.052 16.508 ( 4.041 0.108 -6.081) 7.302 16.832 ( -3.156 15.803 -0.990) 16.146 17.518 ( 3.516 0.149 -0.044) 3.519 19.093 ( -6.769 1.636 2.280) 7.328 19.142 ( -1.461 2.580 -7.009) 7.611 19.331 ( 2.495 0.001 -0.649) 2.578 19.433 ( 3.404 3.167 -0.066) 4.650 20.140 ( 5.389 -6.315 -6.119) 10.313 ======================= Grid point 136 (20/136) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 21.213 9.391 8.047) 24.555 1.851 ( 18.729 15.988 3.769) 24.912 3.153 ( -7.743 -6.095 1.670) 9.995 3.267 ( 11.620 1.653 2.784) 12.063 3.366 ( -5.393 -0.733 2.822) 6.131 4.022 ( 17.526 11.499 -0.263) 20.964 4.158 ( 8.835 0.174 4.364) 9.855 6.501 ( -2.161 -2.435 -11.881) 12.319 6.897 ( 1.170 3.491 -1.261) 3.892 7.620 ( -8.867 -5.671 3.120) 10.979 8.527 ( -6.366 -15.874 -5.945) 18.107 8.711 ( -13.308 2.878 1.826) 13.738 9.140 ( -11.748 -6.539 -5.350) 14.471 9.576 ( 3.912 2.868 1.430) 5.057 10.297 ( 6.025 5.693 4.056) 9.229 15.324 ( -6.083 6.647 -0.975) 9.063 15.567 ( 4.585 -9.796 -2.447) 11.089 16.033 ( -6.430 -8.552 0.207) 10.701 16.324 ( 13.817 -1.929 -5.053) 14.838 16.500 ( 0.286 -0.870 3.668) 3.781 16.974 ( -1.547 18.931 -0.874) 19.015 17.548 ( 0.409 -1.109 -0.554) 1.305 18.970 ( -7.335 -0.516 0.919) 7.411 19.157 ( -2.004 5.283 -9.248) 10.837 19.390 ( 4.282 -0.202 -0.210) 4.292 19.524 ( 3.398 2.816 0.648) 4.461 20.124 ( 1.749 -7.931 -3.699) 8.924 ======================= Grid point 137 (21/136) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 16.250 8.103 3.089) 18.419 2.311 ( 17.560 13.456 0.694) 22.134 2.970 ( -7.871 -3.651 3.360) 9.304 3.185 ( -7.595 -2.875 -2.859) 8.609 3.356 ( 2.380 -2.673 5.418) 6.494 3.949 ( -6.960 -10.259 3.044) 12.766 4.931 ( 39.696 22.178 1.178) 45.486 6.444 ( -0.863 -3.937 -10.839) 11.564 6.902 ( -3.732 -1.245 1.304) 4.145 7.432 ( -7.456 -2.699 2.496) 8.314 8.195 ( -14.498 -7.190 -4.778) 16.873 8.589 ( -3.540 -1.976 -1.703) 4.397 8.870 ( -10.504 -7.463 -4.248) 13.567 9.664 ( 2.765 2.829 2.156) 4.505 10.430 ( 3.297 4.716 5.575) 8.012 15.285 ( -5.104 4.851 0.542) 7.062 15.518 ( 1.599 -10.119 -5.217) 11.497 15.897 ( -2.082 -3.157 8.459) 9.266 16.337 ( 3.083 -13.850 -3.870) 14.707 16.704 ( 12.472 8.658 0.756) 15.201 17.118 ( -3.055 16.312 -0.138) 16.596 17.510 ( -3.772 -0.322 0.357) 3.802 18.847 ( -5.255 -1.672 -1.616) 5.746 19.173 ( -2.982 6.582 -9.607) 12.021 19.469 ( 5.126 -0.586 0.862) 5.230 19.594 ( 2.013 1.306 0.939) 2.577 20.062 ( 0.380 -7.362 -2.666) 7.839 ======================= Grid point 138 (22/136) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 7.816 3.459 1.462) 8.671 2.671 ( 7.415 10.842 -7.401) 15.077 2.812 ( -7.254 -0.681 1.935) 7.538 3.078 ( -0.716 -2.471 0.525) 2.625 3.388 ( 5.118 -4.169 12.457) 14.098 3.705 ( -6.856 -9.379 1.550) 11.721 5.750 ( 29.873 15.156 -2.127) 33.566 6.360 ( -5.461 -6.430 -10.956) 13.828 6.712 ( -8.172 -9.017 4.254) 12.891 7.334 ( -4.608 3.876 3.044) 6.748 7.975 ( -6.663 1.044 -4.585) 8.155 8.534 ( -0.437 -2.069 -3.524) 4.109 8.672 ( -4.008 -4.854 -3.539) 7.221 9.718 ( 0.678 1.726 2.538) 3.144 10.500 ( 0.234 3.249 6.037) 6.860 15.249 ( -3.046 2.837 1.261) 4.349 15.457 ( 1.328 -5.805 -5.430) 8.059 15.872 ( 0.637 -1.329 12.909) 12.993 16.268 ( 5.535 -13.656 -5.306) 15.662 16.984 ( 10.040 6.746 -1.075) 12.144 17.152 ( -6.767 5.443 -1.481) 8.810 17.441 ( -6.977 7.393 3.570) 10.774 18.770 ( -1.629 -1.419 -3.560) 4.164 19.184 ( -3.765 7.072 -9.821) 12.674 19.546 ( 4.640 -1.772 3.826) 6.269 19.612 ( -0.216 -0.724 -1.137) 1.365 20.009 ( 1.258 -5.297 -2.171) 5.861 ======================= Grid point 145 (23/136) ======================= q-point: ( 0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 9.925 17.190 15.490) 25.178 1.309 ( 14.311 24.788 12.405) 31.195 2.205 ( 26.067 45.149 7.744) 52.706 3.391 ( -5.890 -10.201 -2.003) 11.949 3.539 ( -4.966 -8.601 19.315) 21.718 3.989 ( -2.661 -4.609 -3.670) 6.465 4.032 ( 1.017 1.761 -2.583) 3.287 6.602 ( -1.657 -2.870 -12.324) 12.761 6.827 ( 2.022 3.501 -3.847) 5.581 7.885 ( -4.386 -7.597 3.154) 9.322 8.550 ( -3.997 -6.923 -1.853) 8.206 9.276 ( -3.412 -5.910 4.729) 8.302 9.336 ( -0.400 -0.693 -2.904) 3.013 9.434 ( -2.912 -5.044 -8.492) 10.298 10.067 ( 7.085 12.271 -1.384) 14.236 15.415 ( -3.688 -6.388 3.309) 8.084 15.696 ( 2.614 4.527 -9.420) 10.773 15.704 ( 4.712 8.162 -5.029) 10.682 16.334 ( -6.061 -10.497 -6.015) 13.531 16.478 ( 2.334 4.042 -3.670) 5.938 16.949 ( 6.011 10.412 -2.087) 12.203 17.479 ( 1.245 2.156 0.072) 2.491 19.156 ( 1.584 2.744 -7.618) 8.251 19.206 ( -1.015 -1.759 3.808) 4.316 19.303 ( -0.340 -0.588 0.566) 0.884 19.420 ( 2.208 3.824 0.780) 4.484 20.026 ( -0.174 -0.301 -9.554) 9.560 ======================= Grid point 146 (24/136) ======================= q-point: ( 0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 15.982 16.508 9.149) 24.732 1.796 ( 13.353 24.316 8.313) 28.960 3.036 ( 22.224 20.722 0.617) 30.393 3.204 ( -5.338 -7.265 -0.510) 9.030 3.426 ( -2.121 -1.069 8.440) 8.768 3.943 ( 3.369 7.731 0.900) 8.481 4.054 ( 2.022 -4.750 -1.190) 5.298 6.521 ( -3.390 -3.897 -12.825) 13.826 6.888 ( 1.882 1.623 -0.278) 2.501 7.718 ( -7.136 -4.945 2.931) 9.163 8.413 ( -1.589 -12.223 -6.281) 13.834 9.037 ( -17.131 1.759 3.819) 17.640 9.231 ( -7.521 -10.801 -5.223) 14.160 9.436 ( 8.343 -4.756 -0.568) 9.621 10.288 ( 5.415 10.409 3.792) 12.331 15.309 ( -0.211 -8.593 3.481) 9.273 15.657 ( -8.495 9.397 -9.206) 15.659 15.948 ( 10.374 -4.635 -9.846) 15.035 16.170 ( -1.538 -3.905 -0.812) 4.275 16.470 ( -0.127 -3.149 8.309) 8.887 17.167 ( 2.719 17.513 0.021) 17.723 17.510 ( 1.733 -1.179 -0.968) 2.308 19.116 ( -8.117 0.470 3.423) 8.822 19.219 ( 0.708 4.595 -9.849) 10.891 19.311 ( 3.405 -2.420 2.502) 4.870 19.502 ( 2.803 3.687 0.942) 4.726 20.007 ( 1.673 -6.311 -9.126) 11.221 ======================= Grid point 147 (25/136) ======================= q-point: ( 0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 16.765 15.512 3.777) 23.151 2.243 ( 11.824 22.182 5.049) 25.639 3.049 ( -5.729 -3.898 1.757) 7.148 3.239 ( 0.622 -2.499 1.214) 2.847 3.351 ( -6.184 -2.596 0.485) 6.724 3.951 ( -4.460 -8.518 -1.716) 9.766 4.517 ( 33.566 24.681 2.904) 41.764 6.421 ( -2.376 -5.622 -12.953) 14.319 6.901 ( -0.371 -4.131 2.170) 4.681 7.566 ( -7.471 1.315 2.946) 8.138 8.244 ( -3.763 -11.742 -7.944) 14.668 8.772 ( -15.237 2.667 3.184) 15.793 8.963 ( -10.244 -10.470 -5.346) 15.593 9.533 ( 8.877 -6.404 1.709) 11.078 10.459 ( 2.771 9.598 6.197) 11.756 15.225 ( 1.527 -11.005 2.944) 11.494 15.589 ( -6.625 3.884 -8.630) 11.552 15.937 ( -2.186 -1.314 -4.816) 5.450 16.150 ( 0.528 -8.703 1.439) 8.836 16.564 ( 11.342 3.994 6.542) 13.688 17.341 ( -3.385 13.683 0.876) 14.123 17.541 ( 2.370 3.993 0.390) 4.659 18.961 ( -9.179 -0.415 0.952) 9.237 19.267 ( -0.583 5.091 -9.191) 10.523 19.363 ( 5.142 -2.837 3.190) 6.683 19.579 ( 1.991 2.753 1.017) 3.546 19.963 ( 1.581 -7.720 -8.042) 11.260 ======================= Grid point 148 (26/136) ======================= q-point: ( 0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 9.929 13.429 0.177) 16.702 2.653 ( 11.446 19.575 0.845) 22.692 2.916 ( -6.484 -1.759 4.383) 8.022 3.138 ( -7.158 -1.415 -5.573) 9.181 3.286 ( 1.939 -4.226 8.087) 9.328 3.730 ( -8.412 -11.303 -0.513) 14.099 5.340 ( 34.253 17.714 -1.137) 38.579 6.334 ( -0.834 -6.938 -13.508) 15.208 6.743 ( -7.681 -13.707 3.108) 16.017 7.510 ( -5.880 9.987 4.402) 12.398 8.083 ( -5.355 -2.920 -4.988) 7.879 8.586 ( -7.869 0.615 -0.322) 7.900 8.705 ( -7.401 -8.697 -5.333) 12.604 9.606 ( 7.588 -7.809 2.894) 11.266 10.570 ( -0.386 8.409 7.080) 10.999 15.145 ( 2.817 -11.835 1.304) 12.235 15.529 ( -3.898 2.837 -4.340) 6.487 15.917 ( -0.115 1.295 -1.800) 2.220 16.043 ( -1.077 -9.070 1.803) 9.310 16.839 ( 13.459 4.972 2.277) 14.527 17.298 ( -6.573 -1.546 -0.616) 6.781 17.672 ( -3.097 18.751 5.306) 19.732 18.814 ( -5.982 -1.598 -2.543) 6.694 19.302 ( -1.818 5.831 -9.392) 11.204 19.421 ( 5.726 -4.651 5.745) 9.351 19.615 ( -0.080 1.035 -0.681) 1.242 19.920 ( 2.037 -6.515 -6.512) 9.434 ======================= Grid point 149 (27/136) ======================= q-point: ( 0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -4.178 7.237 -1.229) 8.446 2.813 ( -1.786 3.093 5.100) 6.226 2.955 ( -7.676 13.296 -11.034) 18.906 3.030 ( 0.921 -1.594 -0.106) 1.844 3.279 ( 3.231 -5.596 17.025) 18.210 3.554 ( 3.275 -5.672 -3.361) 7.362 5.865 ( 3.669 -6.356 -3.111) 7.971 6.231 ( 2.138 -3.704 -14.138) 14.771 6.528 ( 4.499 -7.792 3.455) 9.638 7.520 ( -7.686 13.313 6.611) 16.733 8.022 ( -1.960 3.395 -3.565) 5.298 8.523 ( -0.600 1.039 -2.464) 2.740 8.585 ( 2.091 -3.621 -5.277) 6.733 9.633 ( 5.368 -9.299 3.269) 11.224 10.609 ( -3.837 6.647 7.287) 10.583 15.107 ( 5.914 -10.244 0.523) 11.840 15.510 ( -2.094 3.627 -1.968) 4.627 15.954 ( -5.681 9.839 8.396) 14.127 15.956 ( 8.878 -15.377 -8.527) 19.697 17.057 ( 1.338 -2.318 1.142) 2.911 17.157 ( 0.062 -0.107 -0.759) 0.769 17.746 ( -11.155 19.320 7.508) 23.538 18.750 ( 0.128 -0.221 -4.573) 4.580 19.316 ( -3.372 5.841 -9.809) 11.904 19.452 ( 4.270 -7.396 8.412) 11.987 19.613 ( -0.484 0.838 -3.216) 3.358 19.906 ( 2.929 -5.073 -5.390) 7.960 ======================= Grid point 158 (28/136) ======================= q-point: ( 0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 12.152 21.047 4.047) 24.638 2.268 ( 12.873 22.296 6.747) 26.615 3.085 ( -2.507 -4.342 0.545) 5.043 3.204 ( 0.230 0.399 1.472) 1.542 3.406 ( -2.966 -5.138 0.757) 5.981 3.945 ( -3.572 -6.186 -5.119) 8.788 4.336 ( 17.697 30.653 4.672) 35.702 6.415 ( -3.711 -6.428 -14.026) 15.869 6.876 ( -1.947 -3.373 3.335) 5.127 7.652 ( -0.836 -1.449 3.342) 3.737 8.199 ( -5.013 -8.683 -9.719) 13.964 8.987 ( -7.133 -12.355 -5.419) 15.261 9.007 ( -3.990 -6.912 7.596) 11.018 9.354 ( -1.035 -1.793 -1.551) 2.586 10.488 ( 5.312 9.201 6.355) 12.380 15.150 ( -4.212 -7.295 3.083) 8.970 15.682 ( -2.972 -5.147 -12.837) 14.146 15.904 ( -1.676 -2.903 -5.695) 6.609 16.171 ( 2.204 3.818 -0.267) 4.417 16.449 ( 1.944 3.368 13.127) 13.691 17.461 ( -1.977 -3.424 -1.417) 4.200 17.519 ( 9.905 17.157 1.601) 19.875 19.093 ( -2.246 -3.890 2.785) 5.285 19.236 ( -1.525 -2.641 2.939) 4.235 19.319 ( 2.411 4.176 -7.102) 8.585 19.578 ( 2.130 3.689 0.839) 4.341 19.900 ( -2.581 -4.470 -11.181) 12.315 ======================= Grid point 159 (29/136) ======================= q-point: ( 0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 12.483 19.405 -0.221) 23.075 2.658 ( 9.535 16.893 4.324) 19.874 3.024 ( -4.450 2.640 2.694) 5.834 3.194 ( 0.269 -2.242 -3.700) 4.335 3.251 ( -4.697 -6.651 6.073) 10.158 3.776 ( -7.756 -8.796 -4.632) 12.609 5.006 ( 25.595 23.601 0.249) 34.816 6.288 ( -2.542 -7.142 -15.247) 17.028 6.723 ( -6.671 -13.502 3.723) 15.513 7.674 ( -0.651 9.118 4.889) 10.366 8.091 ( -0.568 -3.224 -8.602) 9.204 8.737 ( -7.636 -10.841 -5.813) 14.479 8.800 ( -13.373 -1.829 5.104) 14.431 9.365 ( 7.377 -9.212 1.430) 11.889 10.643 ( 2.333 8.275 7.516) 11.420 15.020 ( -1.223 -9.073 1.623) 9.298 15.582 ( -2.867 -2.735 -7.497) 8.479 15.800 ( -0.735 -10.699 -3.282) 11.215 16.216 ( -6.020 11.433 2.116) 13.093 16.637 ( 13.314 3.875 6.475) 15.304 17.355 ( -4.772 -5.758 -1.137) 7.565 17.850 ( 6.103 20.249 3.909) 21.507 18.952 ( -10.125 -0.613 0.672) 10.165 19.223 ( 5.678 -8.538 5.408) 11.592 19.392 ( 0.691 4.837 -8.337) 9.664 19.635 ( 0.293 2.742 0.172) 2.763 19.829 ( 0.464 -5.698 -10.063) 11.574 ======================= Grid point 160 (30/136) ======================= q-point: ( 0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 3.608 15.985 -4.056) 16.881 2.889 ( 0.260 0.501 4.681) 4.715 2.979 ( 0.185 7.242 -0.308) 7.251 3.133 ( -1.547 -2.352 4.901) 5.652 3.255 ( 2.750 6.789 0.699) 7.358 3.516 ( -10.330 -9.379 -3.200) 14.315 5.611 ( 21.915 9.709 -1.995) 24.052 6.189 ( -1.694 -6.890 -16.614) 18.066 6.418 ( -6.186 -17.594 2.378) 18.801 7.788 ( -3.493 17.090 7.652) 19.048 8.088 ( -1.113 2.979 -4.317) 5.362 8.534 ( -3.170 -8.242 -6.906) 11.211 8.588 ( -7.180 -1.104 1.413) 7.400 9.396 ( 8.116 -12.177 3.078) 14.954 10.727 ( -1.347 6.668 7.913) 10.435 14.939 ( 2.233 -8.364 0.391) 8.666 15.539 ( -0.414 -0.794 -0.681) 1.125 15.705 ( 3.484 -11.824 -5.615) 13.546 16.218 ( -8.472 14.560 2.740) 17.067 16.908 ( 12.977 2.066 2.486) 13.374 17.187 ( -6.252 -7.883 -0.239) 10.064 18.098 ( -3.521 21.938 7.772) 23.539 18.786 ( -6.177 -1.100 -3.575) 7.221 19.239 ( 7.185 -11.225 6.993) 15.051 19.435 ( -1.688 5.362 -9.695) 11.207 19.640 ( -1.388 1.377 -2.150) 2.906 19.806 ( 2.711 -5.109 -6.437) 8.654 ======================= Grid point 166 (31/136) ======================= q-point: (-0.09 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -14.463 25.051 3.399) 29.126 1.120 ( -10.183 17.637 18.148) 27.278 2.312 ( -27.281 47.253 12.426) 55.960 3.475 ( 5.649 -9.785 3.126) 11.723 3.544 ( 3.891 -6.740 18.197) 19.792 3.835 ( 5.255 -9.103 -10.219) 14.660 4.170 ( -3.173 5.495 2.248) 6.732 6.556 ( 1.144 -1.981 -14.069) 14.254 6.789 ( -0.917 1.588 -3.909) 4.317 7.891 ( 4.134 -7.160 3.283) 8.896 8.836 ( 1.590 -2.754 8.931) 9.480 9.073 ( 4.766 -8.256 -3.820) 10.269 9.203 ( 1.718 -2.976 -11.142) 11.660 9.538 ( 2.204 -3.817 -2.592) 5.113 10.047 ( -6.215 10.764 -1.415) 12.510 15.252 ( 3.023 -5.235 -3.642) 7.058 15.715 ( -4.885 8.462 -1.504) 9.886 15.988 ( -3.965 6.867 4.301) 9.021 16.457 ( -7.143 12.372 -23.647) 27.628 16.513 ( 4.734 -8.199 0.230) 9.470 16.591 ( 3.230 -5.594 -0.566) 6.484 17.515 ( -2.147 3.719 0.606) 4.337 19.071 ( 2.565 -4.443 -0.045) 5.131 19.118 ( 1.387 -2.403 -2.743) 3.901 19.329 ( -1.288 2.232 -1.429) 2.946 19.396 ( -1.859 3.220 -1.146) 3.891 20.213 ( -3.093 5.357 -5.308) 8.151 ======================= Grid point 170 (32/136) ======================= q-point: ( 0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 10.591 18.344 -4.329) 21.620 2.847 ( 2.597 4.497 2.902) 5.949 3.083 ( -3.678 -6.371 2.740) 7.850 3.166 ( -1.241 -2.150 1.152) 2.736 3.172 ( 3.738 6.475 3.237) 8.147 3.611 ( -4.076 -7.060 -4.484) 9.304 5.447 ( 12.059 20.886 -1.339) 24.154 6.164 ( -2.775 -4.807 -17.505) 18.364 6.385 ( -11.234 -19.458 1.995) 22.556 7.914 ( 8.197 14.197 8.257) 18.356 8.107 ( 2.267 3.927 -6.050) 7.561 8.522 ( -5.748 -9.955 -7.814) 13.899 8.687 ( -5.773 -9.999 5.364) 12.731 9.222 ( -2.482 -4.299 1.754) 5.265 10.773 ( 2.654 4.597 8.105) 9.689 14.876 ( -2.966 -5.137 0.519) 5.954 15.532 ( -0.989 -1.713 -5.543) 5.886 15.618 ( -3.970 -6.876 0.270) 7.944 16.420 ( 4.025 6.971 -0.731) 8.083 16.752 ( 4.920 8.521 5.145) 11.103 17.201 ( -5.401 -9.354 -0.290) 10.805 18.242 ( 10.570 18.307 6.058) 21.990 18.920 ( -2.492 -4.316 -0.438) 5.003 19.030 ( -4.789 -8.295 5.622) 11.106 19.482 ( 2.262 3.918 -10.444) 11.382 19.678 ( 0.612 1.060 0.011) 1.224 19.735 ( -1.998 -3.461 -8.053) 8.990 ======================= Grid point 171 (33/136) ======================= q-point: ( 0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -5.797 10.041 -10.109) 15.382 2.906 ( -0.643 1.114 3.184) 3.434 3.048 ( 1.067 -1.847 13.712) 13.877 3.055 ( -1.779 3.081 -3.771) 5.184 3.241 ( 6.081 -10.533 -1.841) 12.301 3.541 ( -4.259 7.376 -0.961) 8.572 5.763 ( -3.603 6.241 -0.993) 7.275 6.061 ( 4.729 -8.191 -5.515) 10.949 6.128 ( 3.950 -6.842 -12.828) 15.066 8.126 ( -7.845 13.587 11.736) 19.593 8.175 ( -2.764 4.787 -1.590) 5.751 8.393 ( 2.600 -4.504 -10.550) 11.762 8.516 ( 3.681 -6.376 1.470) 7.508 9.185 ( 3.980 -6.894 2.451) 8.329 10.819 ( -1.412 2.446 8.262) 8.732 14.824 ( 1.726 -2.989 0.105) 3.453 15.522 ( 0.407 -0.704 -0.205) 0.839 15.541 ( 2.389 -4.138 -3.464) 5.902 16.483 ( -5.659 9.802 -0.340) 11.323 16.920 ( 0.655 -1.134 2.508) 2.829 17.034 ( 3.093 -5.358 1.093) 6.282 18.492 ( -8.895 15.406 11.381) 21.119 18.785 ( -1.275 2.208 -4.012) 4.754 18.973 ( 8.323 -14.415 3.712) 17.054 19.530 ( -1.970 3.412 -13.223) 13.797 19.666 ( -0.762 1.320 -1.675) 2.265 19.714 ( 2.248 -3.895 -3.059) 5.439 ======================= Grid point 177 (34/136) ======================= q-point: (-0.18 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -14.048 18.774 11.243) 26.005 1.635 ( -18.608 21.160 0.777) 28.189 3.180 ( -20.370 26.941 4.192) 34.034 3.263 ( 8.468 -7.066 3.047) 11.442 3.402 ( 5.313 -6.079 9.790) 12.689 3.801 ( -11.063 6.860 -3.388) 13.451 4.226 ( 1.428 2.250 3.979) 4.789 6.526 ( 1.004 -0.871 -13.307) 13.373 6.821 ( -2.464 -1.059 -1.390) 3.020 7.727 ( 7.210 -5.485 2.832) 9.491 8.654 ( 7.743 -15.866 -0.779) 17.672 8.873 ( 15.078 6.950 -0.629) 16.615 9.165 ( -0.753 -11.178 -5.391) 12.432 9.464 ( -2.037 -5.822 -1.081) 6.262 10.241 ( -5.428 7.932 2.434) 9.915 15.173 ( -1.117 -8.062 -2.594) 8.542 15.831 ( 6.055 15.988 -0.698) 17.111 16.187 ( -13.786 3.500 2.010) 14.365 16.249 ( 15.067 -2.270 2.851) 15.502 16.513 ( -2.643 -12.501 5.966) 14.102 16.705 ( -8.512 8.237 -18.016) 21.561 17.561 ( -0.225 0.823 0.167) 0.869 18.981 ( 3.113 -4.496 -1.210) 5.601 19.076 ( -0.436 -4.047 -6.217) 7.431 19.390 ( -2.095 3.698 -1.292) 4.442 19.474 ( -3.578 2.736 -0.908) 4.594 20.247 ( 2.732 2.401 -1.106) 3.802 ======================= Grid point 189 (35/136) ======================= q-point: (-0.27 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -13.845 16.831 5.257) 22.419 2.137 ( -16.082 19.009 -0.267) 24.901 3.055 ( 8.324 -5.556 2.736) 10.375 3.239 ( 5.960 -5.893 -0.138) 8.382 3.392 ( -0.209 2.218 3.739) 4.352 4.122 ( 7.830 0.195 5.206) 9.405 4.521 ( -35.418 26.551 3.379) 44.393 6.496 ( 1.989 -0.198 -10.617) 10.804 6.846 ( -2.771 -4.055 0.853) 4.985 7.548 ( 8.687 -2.385 1.516) 9.135 8.303 ( 12.473 -16.236 -5.336) 21.158 8.716 ( 10.141 4.534 -1.430) 11.200 8.985 ( 8.655 -7.797 -2.649) 11.947 9.500 ( -8.914 -8.695 0.472) 12.461 10.391 ( -3.655 6.400 3.945) 8.360 15.121 ( -3.083 -9.749 -1.736) 10.371 15.821 ( 12.625 12.287 -1.928) 17.722 16.022 ( 8.839 2.584 9.573) 13.283 16.420 ( -3.907 -10.620 6.944) 13.277 16.513 ( -14.805 4.339 1.183) 15.473 16.911 ( -5.624 8.256 -16.087) 18.936 17.531 ( 2.636 -2.762 0.017) 3.818 18.880 ( 3.733 -3.298 -2.024) 5.377 19.053 ( -2.521 -5.858 -8.183) 10.375 19.470 ( -2.510 4.237 -1.099) 5.046 19.561 ( -3.301 2.110 -0.324) 3.932 20.191 ( 5.170 1.079 0.887) 5.355 ======================= Grid point 190 (36/136) ======================= q-point: (-0.18 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -11.602 20.095 6.392) 24.068 2.101 ( -13.746 23.809 -1.355) 27.526 3.110 ( 4.452 -7.711 2.825) 9.341 3.262 ( 4.272 -7.399 0.693) 8.571 3.398 ( -0.541 0.938 3.287) 3.461 4.212 ( 2.161 -3.742 5.784) 7.220 4.313 ( -21.697 37.581 4.486) 43.626 6.513 ( 0.619 -1.072 -11.747) 11.812 6.793 ( 0.861 -1.491 1.920) 2.578 7.618 ( 3.046 -5.276 1.030) 6.179 8.322 ( 9.781 -16.941 -5.610) 20.350 8.925 ( 5.089 -8.815 -7.843) 12.849 8.981 ( 0.612 -1.060 7.351) 7.453 9.324 ( 3.680 -6.374 -3.014) 7.953 10.396 ( -4.222 7.313 3.322) 9.075 15.041 ( 3.095 -5.360 -1.670) 6.411 16.137 ( -2.906 5.033 -1.146) 5.923 16.162 ( 2.540 -4.399 2.985) 5.892 16.245 ( 1.373 -2.379 8.895) 9.310 16.264 ( -1.778 3.080 8.876) 9.562 16.945 ( -7.460 12.921 -21.660) 26.302 17.540 ( 1.785 -3.092 0.384) 3.591 18.901 ( 2.201 -3.812 -3.959) 5.920 18.994 ( 2.217 -3.840 -5.772) 7.279 19.471 ( -2.438 4.224 -1.113) 5.002 19.539 ( -2.071 3.587 -1.391) 4.369 20.243 ( 1.315 -2.278 2.137) 3.389 ======================= Grid point 201 (37/136) ======================= q-point: (-0.36 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -9.006 14.020 1.130) 16.702 2.533 ( -10.040 11.819 -4.984) 16.289 2.863 ( 7.922 -4.934 2.193) 9.587 3.124 ( 2.341 -0.141 1.315) 2.689 3.430 ( -2.047 3.770 7.201) 8.382 3.905 ( 13.620 -3.743 6.420) 15.516 5.386 ( -34.218 21.142 1.112) 40.238 6.441 ( 3.921 -2.665 -8.150) 9.429 6.801 ( 3.114 -5.973 4.151) 7.912 7.387 ( 8.367 0.472 -1.113) 8.454 7.979 ( 7.382 -10.439 -6.917) 14.537 8.613 ( 5.622 2.393 -2.875) 6.753 8.770 ( 8.078 -4.106 -1.431) 9.174 9.563 ( -8.854 -10.356 1.417) 13.699 10.490 ( -1.177 4.868 4.357) 6.638 15.085 ( -4.339 -10.333 -1.114) 11.262 15.684 ( 10.840 6.203 0.689) 12.508 15.982 ( 5.532 9.768 10.531) 15.392 16.365 ( -2.072 -7.967 8.243) 11.650 16.833 ( -14.750 4.672 -0.838) 15.495 17.052 ( -1.375 7.466 -15.411) 17.180 17.417 ( 5.066 -6.207 0.376) 8.021 18.799 ( 2.580 -1.539 -2.952) 4.212 19.043 ( -3.734 -7.027 -8.986) 12.002 19.555 ( -2.368 4.001 -0.611) 4.689 19.618 ( -1.132 1.281 -0.032) 1.710 20.110 ( 4.714 0.816 1.669) 5.066 ======================= Grid point 202 (38/136) ======================= q-point: (-0.27 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -9.875 15.799 0.230) 18.633 2.523 ( -9.465 17.272 -2.096) 19.806 2.972 ( 6.327 -0.857 1.301) 6.516 3.146 ( 1.636 -2.673 1.444) 3.451 3.406 ( -1.723 -0.331 5.798) 6.058 4.064 ( 9.214 -6.050 7.039) 13.078 5.081 ( -26.976 28.132 3.968) 39.177 6.462 ( 2.841 -4.176 -7.351) 8.919 6.766 ( -0.086 -3.101 4.367) 5.357 7.521 ( 4.953 -0.325 -2.508) 5.561 8.003 ( 8.599 -13.281 -9.266) 18.336 8.744 ( 6.893 -2.822 -4.553) 8.729 8.888 ( 9.424 -0.660 4.609) 10.511 9.273 ( -8.317 -13.049 -1.490) 15.546 10.521 ( -2.273 6.124 3.322) 7.328 14.955 ( -0.123 -6.843 -1.000) 6.917 15.912 ( 12.716 -0.165 8.058) 15.055 16.153 ( -6.366 -13.538 11.118) 18.639 16.241 ( 8.473 15.401 4.561) 18.160 16.568 ( -18.735 2.779 1.011) 18.967 17.175 ( -2.522 14.749 -23.049) 27.480 17.437 ( 4.393 -6.785 0.310) 8.089 18.827 ( 2.715 -2.184 -4.176) 5.439 18.932 ( -0.840 -6.024 -6.687) 9.039 19.554 ( -2.377 4.101 -1.082) 4.862 19.606 ( -1.980 2.374 -1.315) 3.360 20.175 ( 3.408 -2.337 3.842) 5.643 ======================= Grid point 211 (39/136) ======================= q-point: (-0.45 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 4.788 8.293 0.001) 9.576 2.670 ( 0.431 0.746 -10.365) 10.400 2.731 ( -0.801 -1.387 1.753) 2.375 3.133 ( 2.098 3.633 3.700) 5.594 3.531 ( 3.405 5.897 14.984) 16.459 3.681 ( 0.101 0.174 2.296) 2.305 5.939 ( -1.870 -3.239 -0.226) 3.746 6.290 ( -0.740 -1.282 -6.277) 6.450 6.703 ( 0.960 1.662 5.119) 5.467 7.310 ( 2.070 3.585 -2.266) 4.719 7.869 ( -2.376 -4.116 -7.771) 9.109 8.576 ( 1.939 3.359 -2.926) 4.858 8.671 ( 0.576 0.998 -1.156) 1.633 9.589 ( -6.840 -11.847 1.682) 13.783 10.524 ( 1.809 3.134 4.419) 5.712 15.070 ( -5.686 -9.849 -0.859) 11.405 15.618 ( 4.707 8.152 1.851) 9.594 15.985 ( 5.880 10.184 10.706) 15.903 16.343 ( -3.403 -5.894 8.136) 10.607 17.035 ( -1.813 -3.140 -0.551) 3.668 17.097 ( 4.226 7.319 -17.060) 19.038 17.297 ( -2.509 -4.345 1.723) 5.305 18.768 ( 0.158 0.274 -3.372) 3.386 19.041 ( -4.256 -7.372 -9.206) 12.539 19.616 ( 0.954 1.652 2.788) 3.378 19.619 ( 0.602 1.043 -3.147) 3.369 20.069 ( 1.334 2.311 1.921) 3.288 ======================= Grid point 213 (40/136) ======================= q-point: (-0.36 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -4.998 6.759 -6.588) 10.680 2.695 ( -1.332 0.768 -2.094) 2.598 2.880 ( 10.564 12.160 0.981) 16.138 3.190 ( -1.545 5.851 4.695) 7.660 3.504 ( -9.669 3.668 7.495) 12.772 3.790 ( 13.450 -8.107 7.758) 17.516 5.730 ( -21.250 12.929 3.314) 25.094 6.310 ( 6.598 -9.592 -2.528) 11.913 6.731 ( 1.198 -0.948 5.927) 6.121 7.443 ( 6.146 5.082 -7.452) 10.915 7.810 ( 1.588 -6.606 -11.444) 13.309 8.656 ( 2.583 2.145 -1.977) 3.896 8.725 ( 6.977 -0.330 2.204) 7.324 9.297 ( -9.889 -15.329 0.153) 18.242 10.590 ( 0.572 4.586 3.156) 5.596 14.910 ( -2.642 -6.930 -0.615) 7.442 15.758 ( 6.120 2.482 9.401) 11.489 16.135 ( -6.577 -12.305 13.405) 19.349 16.247 ( 8.412 14.936 4.376) 17.692 16.885 ( -13.675 1.702 -0.214) 13.782 17.253 ( 5.150 -6.036 -1.334) 8.046 17.320 ( 4.029 11.233 -22.144) 25.155 18.776 ( 1.151 -0.828 -3.593) 3.863 18.902 ( -3.070 -6.847 -7.541) 10.638 19.625 ( -1.315 2.817 -1.127) 3.307 19.644 ( -0.025 1.228 -1.308) 1.795 20.104 ( 2.052 -1.060 4.786) 5.314 ======================= Grid point 214 (41/136) ======================= q-point: (-0.27 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -4.382 7.590 -6.416) 10.861 2.685 ( 0.163 -0.282 -2.295) 2.318 3.134 ( -8.048 13.940 -0.075) 16.097 3.161 ( -3.129 5.419 6.880) 9.300 3.392 ( 0.161 -0.279 6.555) 6.563 3.877 ( 7.342 -12.717 6.832) 16.196 5.596 ( -13.156 22.787 5.250) 26.831 6.316 ( 5.888 -10.198 -1.230) 11.839 6.733 ( 0.312 -0.541 6.207) 6.239 7.537 ( -1.025 1.775 -8.632) 8.872 7.790 ( 4.585 -7.942 -13.676) 16.466 8.684 ( 0.675 -1.168 -1.164) 1.782 8.873 ( 2.392 -4.142 7.965) 9.291 9.044 ( 4.144 -7.178 -5.108) 9.736 10.620 ( -2.045 3.542 2.705) 4.904 14.852 ( 2.044 -3.540 -0.419) 4.109 15.875 ( 2.526 -4.374 12.657) 13.628 15.958 ( 2.443 -4.232 13.024) 13.910 16.471 ( -3.100 5.369 1.734) 6.437 16.698 ( -6.857 11.876 0.598) 13.726 17.263 ( 6.015 -10.419 0.677) 12.050 17.430 ( -5.651 9.787 -26.166) 28.502 18.790 ( 0.936 -1.620 -5.137) 5.468 18.828 ( 2.290 -3.966 -5.079) 6.839 19.627 ( -1.750 3.031 -1.427) 3.780 19.648 ( -0.946 1.638 -1.703) 2.545 20.117 ( 1.697 -2.939 5.794) 6.715 ======================= Grid point 225 (42/136) ======================= q-point: (-0.36 0.64 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 1.048 1.815 -7.682) 7.963 2.656 ( -1.385 -2.399 -3.838) 4.733 3.224 ( 10.547 18.267 5.743) 21.861 3.290 ( 1.860 3.222 4.277) 5.669 3.536 ( -4.232 -7.330 8.630) 12.088 3.603 ( -2.619 -4.536 3.506) 6.303 5.909 ( 3.237 5.607 5.240) 8.329 6.128 ( -4.040 -6.997 2.644) 8.502 6.730 ( 0.118 0.204 7.063) 7.067 7.566 ( 3.531 6.115 -13.325) 15.080 7.703 ( -2.650 -4.590 -14.848) 15.766 8.722 ( 1.436 2.487 4.934) 5.709 8.746 ( 2.456 4.254 1.665) 5.187 8.999 ( -7.481 -12.957 -2.982) 15.256 10.656 ( 1.017 1.762 2.461) 3.193 14.816 ( -1.395 -2.416 -0.193) 2.796 15.813 ( 1.990 3.447 13.211) 13.797 15.932 ( -4.388 -7.601 14.331) 16.805 16.510 ( 5.454 9.447 0.792) 10.937 16.910 ( 0.433 0.751 0.278) 0.910 17.081 ( -4.160 -7.205 1.192) 8.404 17.533 ( 3.700 6.408 -27.594) 28.569 18.766 ( -0.057 -0.098 -4.059) 4.060 18.792 ( -2.042 -3.537 -5.449) 6.810 19.663 ( 0.508 0.879 -1.486) 1.799 19.664 ( 0.412 0.714 -2.141) 2.294 20.082 ( -0.428 -0.742 6.718) 6.772 ======================= Grid point 266 (43/136) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 0.000 22.210) 22.210 0.969 ( 0.000 0.000 22.210) 22.210 1.776 ( -0.000 0.000 39.391) 39.391 3.673 ( 0.000 0.000 -8.699) 8.699 3.673 ( 0.000 0.000 -8.699) 8.699 3.964 ( 0.000 0.000 6.497) 6.497 4.613 ( -0.000 0.000 -0.165) 0.165 6.394 ( 0.000 0.000 -15.254) 15.254 6.394 ( 0.000 0.000 -15.254) 15.254 8.179 ( 0.000 0.000 6.845) 6.845 8.906 ( 0.000 0.000 7.817) 7.817 8.906 ( 0.000 0.000 7.817) 7.817 9.350 ( 0.000 0.000 -0.538) 0.538 9.350 ( 0.000 -0.000 -0.538) 0.538 9.679 ( 0.000 0.000 -7.488) 7.488 15.352 ( 0.000 0.000 -5.061) 5.061 15.352 ( 0.000 -0.000 -5.061) 5.061 15.719 ( 0.000 -0.000 -1.632) 1.632 15.719 ( 0.000 0.000 -1.632) 1.632 16.494 ( 0.000 0.000 -8.593) 8.593 16.494 ( 0.000 0.000 -8.593) 8.593 17.464 ( -0.000 0.000 4.483) 4.483 19.230 ( 0.000 0.000 -3.005) 3.005 19.266 ( 0.000 -0.000 -2.842) 2.842 19.336 ( 0.000 0.000 5.994) 5.994 19.336 ( -0.000 0.000 5.994) 5.994 19.932 ( -0.000 0.000 6.919) 6.919 ======================= Grid point 267 (44/136) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 7.966 16.527 16.766) 24.854 1.308 ( 17.356 6.743 20.806) 27.921 2.044 ( 26.907 10.222 29.965) 41.549 3.512 ( -4.246 -10.520 -7.740) 13.733 3.747 ( -4.306 9.701 -4.877) 11.680 4.044 ( 7.957 -0.922 2.169) 8.298 4.261 ( -21.863 -14.272 9.647) 27.834 6.311 ( -3.959 1.430 -15.687) 16.242 6.537 ( 6.290 3.124 -13.912) 15.585 8.105 ( -5.860 -3.340 6.787) 9.569 8.815 ( 2.744 -14.968 3.881) 15.704 9.161 ( 2.280 14.755 -0.530) 14.939 9.206 ( -10.586 2.730 -2.713) 11.264 9.456 ( 4.951 -2.938 -1.351) 5.914 9.782 ( 12.183 6.144 -3.363) 14.053 15.311 ( -5.735 7.961 -4.345) 10.731 15.532 ( 9.026 -0.679 -4.576) 10.142 15.642 ( 9.988 -10.697 -6.886) 16.175 16.009 ( 10.623 18.871 -5.328) 22.301 16.402 ( -0.769 -9.462 -6.567) 11.543 16.603 ( 2.448 10.580 -8.090) 13.542 17.489 ( 2.149 0.606 3.425) 4.088 19.168 ( -5.040 -6.697 2.895) 8.867 19.242 ( -2.101 1.197 -1.105) 2.658 19.272 ( -1.076 -1.445 -0.610) 1.902 19.373 ( -1.360 5.905 3.565) 7.031 20.004 ( 6.762 -1.559 3.075) 7.590 ======================= Grid point 268 (45/136) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 15.794 14.890 11.516) 24.572 1.622 ( 11.092 11.068 17.688) 23.631 2.789 ( 38.968 13.519 14.410) 43.691 3.333 ( -4.484 -9.801 -4.659) 11.741 3.675 ( -14.374 -0.789 -6.039) 15.611 3.882 ( -4.751 -0.586 14.638) 15.401 4.161 ( 7.193 -3.309 1.392) 8.039 6.267 ( -2.517 0.488 -14.607) 14.830 6.668 ( 4.689 4.620 -11.533) 13.280 7.931 ( -8.742 -5.365 6.471) 12.128 8.673 ( -0.681 -18.111 -0.232) 18.125 8.965 ( -18.014 4.714 -1.841) 18.711 9.203 ( -6.421 -1.893 -7.152) 9.796 9.508 ( 4.018 2.276 1.004) 4.726 10.124 ( 14.038 9.099 1.439) 16.790 15.296 ( -5.883 9.192 -3.207) 11.375 15.566 ( 5.538 -9.453 -0.116) 10.956 15.824 ( 13.932 -6.046 -12.562) 19.709 16.216 ( -0.979 -0.645 -2.671) 2.917 16.437 ( 8.320 9.885 -4.180) 13.579 16.764 ( 1.204 13.551 -4.286) 14.264 17.529 ( 1.815 -0.454 1.449) 2.367 19.028 ( -4.025 -3.825 -2.368) 6.036 19.152 ( -8.503 1.121 1.766) 8.756 19.287 ( 1.883 1.156 -3.044) 3.761 19.435 ( 2.076 4.822 0.636) 5.289 20.074 ( 5.751 -6.898 -0.350) 8.987 ======================= Grid point 269 (46/136) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 15.524 6.469 9.444) 19.288 1.965 ( 12.597 16.776 7.620) 22.320 3.174 ( -4.184 -6.256 -0.613) 7.552 3.358 ( -0.149 -4.296 1.292) 4.489 3.388 ( 0.472 0.878 3.963) 4.087 4.065 ( 13.248 2.603 3.505) 13.949 4.273 ( 15.479 7.130 7.162) 18.486 6.233 ( -0.324 -2.249 -12.737) 12.938 6.791 ( 3.413 5.446 -8.964) 11.030 7.714 ( -9.814 -5.405 5.849) 12.639 8.414 ( -9.257 -16.417 -4.561) 19.391 8.720 ( -14.324 3.591 -0.747) 14.786 8.998 ( -9.817 -7.978 -7.917) 14.923 9.619 ( 4.472 3.947 2.685) 6.542 10.400 ( 8.464 7.582 5.410) 12.585 15.291 ( -5.773 9.908 -1.686) 11.590 15.548 ( 5.166 -14.163 0.389) 15.081 15.903 ( 5.695 -9.199 -10.489) 15.070 16.268 ( 8.126 -1.412 -0.639) 8.273 16.637 ( 3.338 8.152 6.620) 11.019 16.921 ( -0.703 19.110 -3.679) 19.474 17.530 ( -0.516 -1.764 -0.486) 1.901 18.931 ( -6.042 -1.954 -7.370) 9.728 19.024 ( -6.274 2.616 -0.491) 6.816 19.346 ( 3.489 1.324 -3.312) 4.990 19.527 ( 3.081 4.249 -0.261) 5.255 20.068 ( 3.411 -9.676 -1.347) 10.348 ======================= Grid point 270 (47/136) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 11.574 5.248 2.318) 12.918 2.327 ( 10.211 13.164 1.440) 16.722 3.058 ( -6.612 -2.791 4.615) 8.533 3.139 ( -4.620 -4.370 -1.338) 6.498 3.478 ( 3.932 -1.777 5.889) 7.301 4.037 ( -3.118 -10.921 5.273) 12.522 4.969 ( 35.688 18.693 2.483) 40.364 6.207 ( 1.294 -5.191 -10.885) 12.129 6.863 ( -0.919 1.671 -5.496) 5.817 7.506 ( -9.040 -1.844 4.479) 10.256 8.077 ( -13.574 -8.324 -5.573) 16.871 8.546 ( -7.981 0.025 -2.423) 8.341 8.749 ( -8.277 -9.033 -7.044) 14.132 9.724 ( 3.043 3.537 3.354) 5.746 10.573 ( 4.014 5.908 7.620) 10.444 15.290 ( -6.508 10.820 -0.017) 12.626 15.462 ( 3.646 -16.360 -0.436) 16.767 15.942 ( 9.188 -7.433 -4.312) 12.580 16.324 ( 2.599 -8.951 3.305) 9.889 16.792 ( 6.158 9.728 7.947) 13.990 17.104 ( -2.494 20.311 -2.244) 20.586 17.478 ( -3.569 -1.120 -2.695) 4.610 18.777 ( -7.253 -3.241 -6.110) 10.022 18.994 ( -3.088 5.062 -6.598) 8.871 19.428 ( 4.075 1.489 -3.671) 5.683 19.610 ( 1.979 2.924 -0.059) 3.531 20.015 ( 2.375 -10.136 -1.430) 10.509 ======================= Grid point 271 (48/136) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 5.761 2.563 -4.555) 7.779 2.530 ( 0.712 8.216 -2.787) 8.705 2.894 ( -6.878 -0.330 4.845) 8.419 3.128 ( 3.162 -2.435 3.739) 5.469 3.568 ( 8.924 -1.490 3.463) 9.688 3.829 ( -6.074 -11.441 11.365) 17.232 5.693 ( 26.979 11.841 -3.111) 29.627 6.141 ( -2.779 -9.120 -9.534) 13.483 6.748 ( -6.158 -6.995 -1.018) 9.375 7.419 ( -4.916 7.741 4.713) 10.310 7.839 ( -8.192 0.282 -7.794) 11.311 8.454 ( -2.171 -0.537 -3.775) 4.388 8.570 ( -2.326 -6.663 -5.965) 9.241 9.786 ( 0.538 2.350 3.649) 4.373 10.658 ( 0.117 4.049 8.466) 9.385 15.279 ( -6.288 9.605 1.426) 11.568 15.390 ( 5.460 -12.961 -1.127) 14.110 16.057 ( 12.501 -8.187 -1.860) 15.059 16.218 ( -1.973 -10.407 7.827) 13.171 17.013 ( 7.035 9.119 4.245) 12.275 17.169 ( -8.198 8.270 2.729) 11.960 17.422 ( -6.191 8.848 -5.750) 12.234 18.656 ( -2.355 -2.975 -7.503) 8.408 18.996 ( -3.232 5.878 -7.954) 10.405 19.501 ( 2.320 1.030 -4.621) 5.272 19.645 ( 0.188 0.554 1.154) 1.294 19.967 ( 3.416 -8.697 -1.373) 9.444 ======================= Grid point 278 (49/136) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 8.090 14.012 17.551) 23.870 1.607 ( 11.808 20.453 15.570) 28.288 2.471 ( 18.247 31.604 17.080) 40.292 3.314 ( -5.075 -8.790 -5.622) 11.603 3.831 ( -7.466 -12.931 -5.950) 16.073 3.962 ( -0.729 -1.262 14.084) 14.159 4.021 ( -0.090 -0.157 1.661) 1.671 6.303 ( -1.429 -2.475 -15.387) 15.650 6.648 ( 3.972 6.880 -12.471) 14.786 7.987 ( -4.536 -7.856 6.651) 11.249 8.563 ( -6.684 -11.577 2.453) 13.591 9.230 ( -3.187 -5.520 -8.212) 10.395 9.284 ( 0.445 0.771 -4.197) 4.290 9.365 ( -1.935 -3.352 3.780) 5.410 10.051 ( 10.215 17.692 -0.011) 20.429 15.459 ( -3.002 -5.199 0.154) 6.005 15.499 ( 1.037 1.796 -8.489) 8.739 15.572 ( 5.051 8.749 -6.361) 11.938 16.225 ( -4.119 -7.134 -4.038) 9.175 16.406 ( 10.018 17.352 -4.950) 20.638 16.825 ( 6.732 11.660 -7.878) 15.600 17.506 ( 0.466 0.807 2.536) 2.702 19.041 ( -2.756 -4.774 -2.147) 5.915 19.239 ( -0.854 -1.479 -0.750) 1.865 19.279 ( 0.585 1.014 -2.327) 2.605 19.463 ( 1.853 3.209 3.163) 4.872 19.959 ( -1.474 -2.553 1.596) 3.352 ======================= Grid point 279 (50/136) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 11.185 11.569 13.841) 21.226 2.002 ( 8.911 22.725 11.224) 26.866 3.116 ( 19.855 15.300 6.373) 25.864 3.169 ( -1.952 -5.838 -3.370) 7.018 3.515 ( -10.205 -9.580 -0.541) 14.007 3.976 ( 0.082 1.839 2.306) 2.951 4.121 ( 9.986 5.247 8.012) 13.837 6.232 ( -2.622 -3.994 -14.112) 14.899 6.782 ( 3.817 5.813 -9.542) 11.807 7.817 ( -7.181 -5.173 6.494) 10.977 8.325 ( -4.682 -16.934 -2.207) 17.707 9.037 ( -10.837 -5.022 -6.601) 13.647 9.118 ( -15.731 1.735 -2.336) 15.998 9.449 ( 12.095 -7.532 1.785) 14.360 10.373 ( 8.028 13.870 4.087) 16.539 15.373 ( 0.265 -8.178 2.490) 8.553 15.470 ( -4.443 3.650 -8.081) 9.918 15.756 ( 5.826 0.891 -7.705) 9.701 16.151 ( 2.604 -2.421 -0.839) 3.653 16.653 ( 4.111 7.970 6.734) 11.215 17.068 ( 5.124 16.915 -8.122) 19.451 17.510 ( 0.226 -1.600 1.224) 2.027 18.986 ( -1.611 -0.185 -10.539) 10.663 19.161 ( -6.680 -0.482 0.242) 6.702 19.313 ( 2.166 1.274 -1.845) 3.117 19.527 ( 1.875 4.162 1.406) 4.776 19.909 ( 2.111 -8.727 -0.240) 8.982 ======================= Grid point 280 (51/136) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 11.510 10.616 6.472) 16.943 2.365 ( 7.178 21.953 6.393) 23.965 3.073 ( -1.638 -3.692 0.033) 4.039 3.223 ( -7.133 -6.972 -2.302) 10.237 3.426 ( 0.846 1.195 6.228) 6.398 3.952 ( 0.286 -9.579 1.869) 9.764 4.604 ( 28.006 21.004 5.381) 35.418 6.145 ( -1.137 -6.573 -12.686) 14.333 6.870 ( 1.124 0.839 -5.398) 5.577 7.655 ( -8.302 0.743 5.316) 9.886 8.086 ( -3.562 -14.896 -6.227) 16.533 8.794 ( -9.969 -6.913 -6.342) 13.689 8.839 ( -17.715 1.768 -1.416) 17.859 9.577 ( 10.879 -7.067 2.532) 13.218 10.600 ( 3.918 11.209 6.807) 13.687 15.274 ( 0.486 -12.949 0.962) 12.994 15.457 ( -1.629 4.529 -3.178) 5.767 15.795 ( 0.989 -1.142 -6.245) 6.425 16.215 ( 3.822 -2.024 2.605) 5.049 16.770 ( 4.506 4.927 12.298) 13.994 17.315 ( 0.657 17.774 -4.659) 18.386 17.494 ( 0.990 0.029 -2.860) 3.026 18.902 ( -9.208 -0.894 -9.348) 13.152 19.077 ( -2.163 2.261 -5.599) 6.414 19.378 ( 3.679 1.647 -1.552) 4.319 19.604 ( 2.219 3.151 0.713) 3.919 19.854 ( 2.946 -10.945 -1.470) 11.430 ======================= Grid point 281 (52/136) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 7.049 8.794 -1.387) 11.355 2.664 ( 2.224 19.695 0.396) 19.825 3.010 ( -5.901 -2.012 3.556) 7.178 3.063 ( -0.898 -2.975 -0.631) 3.171 3.439 ( 3.170 -2.025 5.784) 6.900 3.801 ( -4.385 -12.164 7.734) 15.067 5.318 ( 30.329 15.516 -0.838) 34.078 6.063 ( 0.237 -9.002 -11.637) 14.714 6.773 ( -6.689 -11.052 -0.562) 12.930 7.596 ( -4.192 10.838 2.990) 11.999 7.929 ( -3.780 -4.642 -7.637) 9.704 8.560 ( -6.657 -9.094 -8.040) 13.844 8.598 ( -12.174 3.188 0.457) 12.593 9.672 ( 8.482 -7.854 3.271) 12.014 10.733 ( -0.104 9.116 8.011) 12.136 15.161 ( 2.379 -13.225 0.175) 13.439 15.488 ( -2.169 7.204 0.572) 7.545 15.805 ( 4.933 -6.751 -4.756) 9.619 16.199 ( -2.420 -1.538 8.417) 8.892 16.941 ( 8.752 5.203 7.846) 12.854 17.317 ( -5.712 -1.856 2.578) 6.536 17.643 ( -0.304 20.367 -7.997) 21.883 18.712 ( -8.596 -3.128 -8.014) 12.161 19.088 ( -1.256 3.863 -9.876) 10.679 19.466 ( 4.064 2.004 -1.762) 4.862 19.640 ( -0.005 -0.906 2.546) 2.702 19.809 ( 3.942 -9.120 -3.111) 10.411 ======================= Grid point 282 (53/136) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -2.017 3.494 -5.586) 6.891 2.786 ( -9.285 16.082 -4.644) 19.142 2.920 ( -1.709 2.959 4.569) 5.705 3.067 ( 2.305 -3.992 3.645) 5.877 3.500 ( 3.263 -5.652 -1.286) 6.652 3.643 ( 3.348 -5.799 17.592) 18.823 5.797 ( 2.714 -4.701 -3.256) 6.330 5.948 ( 3.888 -6.734 -12.110) 14.391 6.586 ( 4.508 -7.807 1.766) 9.186 7.654 ( -8.156 14.126 6.044) 17.395 7.855 ( -0.975 1.688 -11.287) 11.454 8.452 ( 2.851 -4.939 -7.128) 9.129 8.499 ( -2.869 4.969 -0.391) 5.751 9.707 ( 5.447 -9.434 3.548) 11.457 10.778 ( -4.027 6.975 8.319) 11.580 15.113 ( 6.403 -11.090 0.176) 12.807 15.507 ( -4.922 8.526 1.629) 9.978 15.819 ( 7.355 -12.739 -4.109) 15.273 16.160 ( -1.710 2.962 10.341) 10.891 17.111 ( 0.524 -0.907 4.638) 4.755 17.191 ( -0.030 0.051 3.859) 3.860 17.759 ( -11.405 19.755 -6.578) 23.740 18.608 ( 0.652 -1.129 -9.063) 9.157 19.097 ( -2.212 3.831 -10.472) 11.368 19.531 ( -0.914 1.583 -4.379) 4.745 19.611 ( 2.677 -4.636 6.130) 8.139 19.803 ( 3.847 -6.663 -3.832) 8.595 ======================= Grid point 291 (54/136) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 8.538 14.789 8.432) 19.045 2.432 ( 11.307 19.584 8.749) 24.247 3.072 ( -1.595 -2.762 -2.308) 3.937 3.228 ( -2.999 -5.195 -0.629) 6.031 3.444 ( 0.794 1.375 3.901) 4.211 3.888 ( -3.743 -6.483 0.022) 7.486 4.463 ( 14.576 25.247 7.255) 30.042 6.121 ( -3.827 -6.629 -13.332) 15.373 6.861 ( 0.589 1.021 -4.975) 5.113 7.754 ( -0.519 -0.899 6.422) 6.505 8.013 ( -7.616 -13.191 -7.316) 16.898 8.826 ( -7.246 -12.550 -9.611) 17.389 9.171 ( -3.507 -6.075 7.618) 10.355 9.302 ( -0.195 -0.338 -3.332) 3.354 10.626 ( 6.425 11.129 6.505) 14.403 15.203 ( -5.027 -8.707 1.424) 10.154 15.469 ( -0.639 -1.107 -6.630) 6.752 15.817 ( 0.865 1.499 -2.535) 3.070 16.165 ( 2.346 4.063 -0.325) 4.703 16.751 ( 1.905 3.299 14.836) 15.317 17.421 ( 10.449 18.099 -10.065) 23.196 17.459 ( -2.022 -3.502 1.300) 4.247 19.006 ( 0.629 1.089 -16.709) 16.756 19.107 ( -2.981 -5.164 -1.480) 6.143 19.343 ( 1.261 2.184 1.228) 2.805 19.600 ( 1.873 3.244 1.190) 3.930 19.759 ( -3.446 -5.969 -1.275) 7.009 ======================= Grid point 292 (55/136) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 8.171 13.807 0.906) 16.069 2.759 ( 6.889 14.102 5.293) 16.564 3.054 ( -1.960 3.355 -0.612) 3.934 3.108 ( -3.198 -3.783 -3.721) 6.195 3.423 ( -2.223 -1.478 9.360) 9.733 3.749 ( -3.203 -9.993 2.591) 10.808 5.028 ( 22.158 20.965 1.816) 30.558 5.988 ( -2.357 -8.486 -12.642) 15.407 6.766 ( -6.316 -11.848 0.188) 13.427 7.761 ( -3.316 8.920 0.138) 9.517 7.886 ( 3.403 -3.290 -6.450) 8.000 8.573 ( -7.350 -11.841 -9.365) 16.791 8.921 ( -18.262 2.362 5.109) 19.110 9.385 ( 11.683 -10.983 0.701) 16.050 10.807 ( 2.758 9.065 7.747) 12.239 15.041 ( -2.233 -10.149 0.232) 10.394 15.479 ( 2.810 -0.316 -1.534) 3.217 15.780 ( -3.352 -2.916 1.031) 4.561 16.257 ( 0.216 6.548 1.485) 6.718 16.842 ( 6.015 2.931 12.898) 14.530 17.361 ( -4.090 -5.284 1.785) 6.916 17.781 ( 8.250 20.744 -9.929) 24.433 18.893 ( -13.078 -0.262 -8.786) 15.758 19.079 ( 4.008 -3.288 -12.548) 13.577 19.400 ( 3.532 0.259 4.029) 5.365 19.640 ( -1.238 -0.489 0.765) 1.536 19.685 ( 2.413 -3.827 -2.979) 5.417 ======================= Grid point 293 (56/136) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.046 10.333 -6.252) 12.122 2.944 ( 6.497 -0.914 0.842) 6.614 2.992 ( -3.900 0.755 1.071) 4.114 3.117 ( -6.327 14.916 -2.201) 16.351 3.399 ( 2.371 -2.025 7.214) 7.859 3.585 ( -3.719 -8.406 10.989) 14.327 5.573 ( 20.143 10.487 -1.956) 22.794 5.875 ( -1.633 -9.027 -12.192) 15.258 6.467 ( -5.918 -18.132 2.206) 19.200 7.853 ( 1.845 9.475 -9.277) 13.389 7.951 ( -3.874 10.355 0.320) 11.061 8.377 ( -1.842 -8.224 -7.240) 11.111 8.662 ( -11.934 2.100 3.894) 12.727 9.451 ( 9.761 -13.390 2.116) 16.705 10.899 ( -1.321 6.980 8.177) 10.832 14.942 ( 1.896 -8.621 -0.032) 8.828 15.555 ( 5.693 0.324 2.220) 6.119 15.672 ( -3.418 -6.114 2.485) 7.432 16.291 ( -4.771 9.265 3.770) 11.082 17.007 ( 9.055 1.745 7.394) 11.820 17.217 ( -5.144 -6.577 3.251) 8.960 18.088 ( 0.099 22.577 -8.703) 24.197 18.659 ( -10.016 -2.070 -9.163) 13.732 19.110 ( 2.951 -3.286 -14.401) 15.063 19.458 ( 5.008 -4.223 7.528) 9.979 19.586 ( -2.631 -0.140 -2.213) 3.440 19.715 ( 2.380 -1.870 -2.657) 4.027 ======================= Grid point 299 (57/136) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -10.569 18.306 9.966) 23.369 1.534 ( -6.638 11.498 20.657) 24.556 2.649 ( -21.859 37.862 18.699) 47.550 3.536 ( 4.690 -8.123 2.155) 9.624 3.541 ( 2.119 -3.670 -13.865) 14.499 3.947 ( 8.410 -14.566 15.428) 22.823 4.196 ( -3.836 6.644 0.416) 7.683 6.248 ( 0.874 -1.514 -14.642) 14.746 6.622 ( -2.448 4.239 -11.828) 12.801 7.991 ( 4.415 -7.647 6.339) 10.869 8.914 ( 8.740 -15.137 -2.278) 17.627 8.984 ( 1.396 -2.418 -8.520) 8.966 9.103 ( -1.497 2.593 7.330) 7.918 9.457 ( 2.018 -3.495 -5.104) 6.506 10.043 ( -8.866 15.357 0.845) 17.753 15.191 ( 2.267 -3.927 -2.081) 4.990 15.685 ( -4.806 8.325 -1.629) 9.750 15.982 ( -7.222 12.509 -20.358) 24.961 16.043 ( -4.309 7.463 0.650) 8.642 16.448 ( 2.254 -3.904 -6.278) 7.729 16.568 ( -2.208 3.825 -1.030) 4.535 17.533 ( -1.244 2.155 1.574) 2.944 19.104 ( 3.578 -6.197 2.430) 7.557 19.116 ( 4.343 -7.522 2.123) 8.941 19.274 ( -1.098 1.902 -3.341) 3.998 19.374 ( -1.744 3.021 -0.537) 3.529 20.149 ( -3.331 5.770 -0.768) 6.706 ======================= Grid point 303 (58/136) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 6.869 11.898 -5.528) 14.809 2.859 ( -0.064 -0.110 -1.361) 1.367 3.035 ( -1.155 -2.001 -2.333) 3.283 3.254 ( 5.620 9.733 2.879) 11.602 3.377 ( -1.437 -2.489 13.393) 13.698 3.583 ( -3.422 -5.928 3.098) 7.513 5.434 ( 11.484 19.890 -0.425) 22.971 5.838 ( -3.424 -5.930 -12.461) 14.218 6.428 ( -11.705 -20.274 2.144) 23.509 7.877 ( 3.136 5.432 -13.993) 15.335 8.046 ( 7.788 13.490 3.114) 15.885 8.353 ( -5.178 -8.968 -6.958) 12.476 8.852 ( -6.055 -10.488 8.598) 14.852 9.224 ( -1.988 -3.443 -1.480) 4.242 10.947 ( 2.806 4.860 8.126) 9.876 14.882 ( -3.247 -5.624 0.017) 6.494 15.491 ( 1.110 1.923 1.832) 2.879 15.681 ( -3.457 -5.987 5.517) 8.845 16.407 ( 3.808 6.596 -0.535) 7.636 16.914 ( 2.854 4.943 10.338) 11.809 17.228 ( -4.433 -7.679 2.978) 9.353 18.188 ( 11.375 19.702 -10.366) 25.000 18.861 ( -3.754 -6.501 -5.147) 9.102 18.946 ( -3.455 -5.985 -17.263) 18.595 19.399 ( 0.049 0.085 6.532) 6.533 19.619 ( 0.031 0.054 -3.701) 3.702 19.676 ( 0.137 0.238 -0.235) 0.361 ======================= Grid point 304 (59/136) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -4.961 8.593 -8.955) 13.366 2.847 ( 3.726 -6.454 -5.633) 9.342 3.016 ( -0.666 1.153 -1.193) 1.788 3.331 ( -1.760 3.048 11.523) 12.048 3.360 ( 0.982 -1.701 11.401) 11.569 3.533 ( -1.718 2.976 1.745) 3.855 5.734 ( 1.412 -2.445 -15.344) 15.601 5.770 ( -4.385 7.595 1.594) 8.914 6.120 ( 8.395 -14.540 2.426) 16.963 7.976 ( -3.167 5.486 -13.771) 15.158 8.131 ( 1.214 -2.103 -12.598) 12.830 8.358 ( -6.022 10.431 8.676) 14.844 8.650 ( 2.258 -3.911 7.711) 8.936 9.204 ( 5.025 -8.704 -0.526) 10.064 10.996 ( -1.457 2.524 8.208) 8.710 14.825 ( 1.733 -3.002 0.014) 3.467 15.542 ( 0.492 -0.853 3.646) 3.777 15.587 ( 1.215 -2.105 6.218) 6.676 16.476 ( -3.927 6.801 -0.399) 7.864 17.017 ( 0.377 -0.653 7.003) 7.043 17.098 ( 2.241 -3.881 4.986) 6.704 18.499 ( -9.104 15.769 -10.674) 21.106 18.649 ( -2.027 3.511 -9.036) 9.904 18.916 ( 8.648 -14.979 -12.510) 21.346 19.402 ( 0.448 -0.775 5.504) 5.577 19.624 ( -1.406 2.436 -2.226) 3.587 19.678 ( 1.150 -1.991 -1.280) 2.631 ======================= Grid point 310 (60/136) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -17.430 17.728 4.700) 25.302 1.785 ( -9.287 11.388 13.705) 20.094 3.310 ( 8.629 -2.354 0.126) 8.945 3.331 ( -11.798 18.618 8.727) 23.706 3.424 ( 4.899 -11.420 -4.876) 13.349 3.920 ( -13.369 12.995 13.168) 22.826 4.284 ( -0.075 3.942 1.539) 4.232 6.245 ( -0.732 0.571 -12.814) 12.847 6.705 ( -3.783 1.755 -9.696) 10.554 7.812 ( 7.660 -6.950 5.416) 11.675 8.574 ( 10.831 -19.137 -5.152) 22.585 8.820 ( 12.171 1.619 -5.328) 13.384 9.118 ( 5.782 -1.705 0.306) 6.036 9.435 ( -8.384 -8.230 -0.825) 11.777 10.318 ( -7.628 10.454 4.532) 13.712 15.134 ( -1.465 -6.775 -1.059) 7.012 15.818 ( 4.425 15.094 -0.588) 15.740 16.120 ( 4.611 14.015 -14.806) 20.902 16.212 ( -7.301 0.152 0.109) 7.303 16.458 ( -11.078 -1.157 -5.703) 12.514 16.636 ( -4.761 -5.370 6.164) 9.460 17.554 ( 0.560 0.175 -0.224) 0.628 18.969 ( 4.063 -4.374 -3.786) 7.069 18.985 ( 3.227 -7.788 1.121) 8.505 19.332 ( -2.162 3.474 -3.738) 5.542 19.453 ( -4.148 2.118 -0.857) 4.735 20.209 ( 1.987 4.365 -1.789) 5.119 ======================= Grid point 322 (61/136) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -8.667 11.119 4.468) 14.788 2.149 ( -14.863 15.334 1.897) 21.440 3.125 ( 7.287 -4.772 3.402) 9.352 3.214 ( 5.846 -5.348 -1.711) 8.106 3.506 ( -0.801 3.423 6.662) 7.533 4.218 ( 6.645 2.603 3.734) 8.054 4.626 ( -31.290 25.499 6.550) 40.892 6.270 ( 0.115 2.670 -10.157) 10.503 6.783 ( -4.448 -1.047 -7.296) 8.609 7.599 ( 9.492 -5.730 3.512) 11.630 8.178 ( 12.374 -18.628 -5.995) 23.153 8.639 ( 9.375 0.259 -5.263) 10.754 8.927 ( 12.165 -1.583 -3.135) 12.662 9.531 ( -11.432 -9.672 2.451) 15.173 10.512 ( -4.983 6.904 7.074) 11.070 15.098 ( -3.406 -8.978 -0.396) 9.610 15.808 ( 12.884 13.678 0.277) 18.792 16.113 ( 4.886 11.284 -2.774) 12.605 16.447 ( -8.680 9.347 -5.857) 14.037 16.599 ( -2.931 -3.690 9.926) 10.988 16.705 ( -16.341 -8.911 -2.995) 18.852 17.509 ( 3.143 -2.818 -1.551) 4.497 18.833 ( 5.354 -5.044 -4.012) 8.379 18.904 ( -0.772 -5.688 -4.744) 7.447 19.411 ( -2.526 4.062 -3.938) 6.196 19.546 ( -4.292 1.248 -1.013) 4.583 20.182 ( 5.144 3.435 -1.310) 6.322 ======================= Grid point 323 (62/136) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -7.285 12.619 5.647) 15.627 2.100 ( -12.812 22.191 1.357) 25.660 3.185 ( 4.960 -8.590 4.019) 10.703 3.225 ( 3.436 -5.951 -3.587) 7.752 3.517 ( -1.164 2.016 7.115) 7.486 4.302 ( 1.221 -2.114 2.619) 3.580 4.461 ( -20.380 35.300 9.235) 41.794 6.281 ( -1.463 2.533 -9.875) 10.299 6.735 ( -0.742 1.286 -7.583) 7.727 7.660 ( 4.753 -8.233 3.191) 10.028 8.182 ( 11.454 -19.839 -7.085) 23.978 8.744 ( 4.059 -7.030 -8.741) 11.929 9.147 ( 0.575 -0.995 7.774) 7.859 9.244 ( 3.847 -6.663 -4.485) 8.905 10.508 ( -4.840 8.383 6.824) 11.843 15.021 ( 2.713 -4.699 -0.249) 5.431 16.127 ( -6.948 12.034 -0.240) 13.898 16.192 ( -0.028 0.048 0.800) 0.802 16.346 ( -2.251 3.898 -7.978) 9.160 16.412 ( -1.703 2.950 3.489) 4.876 16.616 ( -1.911 3.311 0.169) 3.827 17.523 ( 2.002 -3.467 -1.395) 4.240 18.852 ( 3.357 -5.815 -0.838) 6.766 18.869 ( 2.877 -4.984 -6.341) 8.563 19.413 ( -2.530 4.382 -3.910) 6.395 19.509 ( -1.930 3.342 -1.230) 4.050 20.245 ( 0.244 -0.422 -1.375) 1.458 ======================= Grid point 334 (63/136) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -5.915 6.573 -4.632) 9.982 2.469 ( -6.060 12.199 0.468) 13.629 2.932 ( 7.746 -6.290 4.121) 10.796 3.170 ( -0.181 3.727 2.566) 4.528 3.572 ( -3.925 4.826 6.313) 8.863 4.047 ( 12.284 -1.970 7.060) 14.305 5.410 ( -29.532 21.643 1.198) 36.633 6.272 ( 3.626 2.022 -7.538) 8.605 6.804 ( 0.625 -3.709 -4.150) 5.601 7.389 ( 7.371 -4.768 1.360) 8.884 7.830 ( 7.235 -14.127 -6.892) 17.304 8.519 ( 5.323 1.569 -5.299) 7.673 8.718 ( 10.020 -0.179 -3.520) 10.622 9.613 ( -9.812 -10.996 3.178) 15.076 10.628 ( -2.004 4.342 8.268) 9.551 15.072 ( -4.622 -10.147 -0.073) 11.150 15.709 ( 12.432 12.998 1.687) 18.065 16.184 ( 1.120 11.304 5.503) 12.623 16.474 ( 9.089 6.558 1.264) 11.279 16.763 ( -14.548 -3.758 0.584) 15.037 16.897 ( -13.494 -5.320 -1.844) 14.622 17.393 ( 4.922 -6.002 -2.532) 8.165 18.710 ( 4.036 -2.380 -5.898) 7.533 18.879 ( -2.827 -6.165 -6.561) 9.436 19.492 ( -2.033 3.539 -4.363) 5.974 19.614 ( -2.546 0.127 -0.843) 2.685 20.121 ( 5.335 3.504 -0.443) 6.398 ======================= Grid point 335 (64/136) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -5.234 8.580 -2.522) 10.362 2.500 ( -8.637 17.344 0.065) 19.376 3.022 ( 6.626 -3.101 3.174) 7.975 3.185 ( -1.499 1.962 1.792) 3.051 3.540 ( -2.023 0.465 7.131) 7.427 4.187 ( 7.621 -5.382 4.601) 10.402 5.179 ( -24.188 28.292 5.153) 37.577 6.319 ( 0.286 1.523 -5.842) 6.044 6.757 ( -1.549 -1.136 -5.506) 5.831 7.486 ( 7.398 -5.572 -0.578) 9.280 7.809 ( 8.988 -17.406 -8.857) 21.499 8.616 ( 4.486 -1.781 -6.688) 8.248 8.944 ( 15.615 2.343 0.328) 15.794 9.281 ( -12.572 -14.397 2.299) 19.252 10.645 ( -2.655 6.012 7.971) 10.331 14.944 ( -0.220 -6.404 -0.048) 6.408 16.054 ( 13.625 10.276 4.897) 17.754 16.350 ( 4.557 12.395 3.670) 13.707 16.387 ( -11.116 -10.961 11.232) 19.232 16.592 ( -14.850 0.963 1.048) 14.918 16.734 ( -2.261 9.918 -16.067) 19.017 17.414 ( 4.626 -6.802 -2.190) 8.512 18.744 ( 3.436 -3.732 -4.183) 6.576 18.792 ( -0.007 -5.400 -6.525) 8.470 19.498 ( -2.036 4.311 -3.866) 6.139 19.575 ( -2.477 1.661 -1.529) 3.351 20.209 ( 2.902 -0.327 -0.218) 2.928 ======================= Grid point 344 (65/136) ======================= q-point: (-0.45 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.168 0.291 -10.096) 10.102 2.604 ( 6.013 10.414 2.258) 12.236 2.797 ( -2.066 -3.578 4.318) 5.976 3.206 ( 2.151 3.726 3.105) 5.306 3.721 ( 2.129 3.688 1.570) 4.539 3.836 ( 1.385 2.399 14.085) 14.355 5.909 ( 0.327 0.566 -2.627) 2.707 6.167 ( 2.074 3.592 -5.114) 6.584 6.735 ( 0.484 0.838 -2.293) 2.489 7.304 ( -1.548 -2.681 1.665) 3.515 7.692 ( -3.886 -6.731 -8.816) 11.753 8.485 ( 2.217 3.841 -5.007) 6.689 8.620 ( 2.192 3.796 -3.531) 5.629 9.644 ( -7.269 -12.590 3.320) 14.912 10.667 ( 1.282 2.220 8.592) 8.966 15.060 ( -5.776 -10.005 0.004) 11.553 15.664 ( 8.573 14.848 2.543) 17.333 16.251 ( 3.187 5.521 13.653) 15.068 16.406 ( 6.873 11.905 -4.240) 14.386 16.873 ( -6.803 -11.783 -1.475) 13.686 17.029 ( -2.557 -4.430 0.404) 5.131 17.280 ( -2.508 -4.344 -3.576) 6.160 18.661 ( 0.381 0.659 -6.891) 6.933 18.873 ( -3.647 -6.317 -6.898) 10.039 19.532 ( 0.890 1.542 -4.872) 5.187 19.635 ( -0.473 -0.819 -0.518) 1.078 20.088 ( 2.814 4.874 0.048) 5.628 ======================= Grid point 346 (66/136) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -1.048 4.359 -7.453) 8.698 2.696 ( -3.724 1.425 1.559) 4.281 2.917 ( 10.323 12.471 2.281) 16.349 3.266 ( -0.716 5.191 2.419) 5.772 3.659 ( -10.303 3.751 7.299) 13.172 3.947 ( 11.313 -8.354 7.240) 15.818 5.790 ( -18.014 15.697 2.164) 23.991 6.264 ( 6.014 -2.828 -1.696) 6.858 6.752 ( 0.799 -0.978 -4.139) 4.327 7.322 ( 5.338 -1.790 -3.923) 6.862 7.579 ( 0.710 -10.608 -10.409) 14.879 8.573 ( 2.069 4.140 -4.937) 6.768 8.738 ( 9.251 1.835 -0.701) 9.457 9.334 ( -10.861 -16.027 2.907) 19.578 10.717 ( 0.205 4.003 8.377) 9.287 14.903 ( -2.574 -6.630 -0.058) 7.112 15.955 ( 9.538 11.025 8.436) 16.843 16.378 ( 4.015 8.609 8.118) 12.496 16.423 ( -5.701 -8.985 13.847) 17.463 16.835 ( 1.686 9.873 -19.130) 21.593 16.870 ( -12.343 0.511 -1.904) 12.499 17.243 ( 4.693 -8.741 -2.685) 10.278 18.674 ( 1.448 -1.363 -6.299) 6.606 18.758 ( -2.288 -5.592 -6.267) 8.705 19.559 ( -0.446 2.996 -4.121) 5.115 19.617 ( -1.107 0.196 -1.615) 1.968 20.161 ( 2.337 0.903 0.844) 2.643 ======================= Grid point 347 (67/136) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( -3.243 5.616 -5.314) 8.384 2.663 ( 0.941 -1.629 -0.041) 1.882 3.135 ( -7.575 13.120 0.261) 15.152 3.272 ( -3.443 5.963 3.207) 7.596 3.548 ( -0.915 1.584 8.553) 8.746 4.007 ( 7.275 -12.601 5.486) 15.550 5.702 ( -13.396 23.203 4.588) 27.182 6.300 ( 2.336 -4.047 -0.153) 4.675 6.749 ( -0.175 0.302 -4.870) 4.883 7.383 ( 2.689 -4.658 -5.781) 7.896 7.519 ( 6.201 -10.740 -11.929) 17.208 8.612 ( -1.210 2.096 -4.744) 5.326 8.964 ( 3.885 -6.730 -2.567) 8.184 9.019 ( 2.957 -5.122 5.837) 8.309 10.740 ( -1.924 3.333 8.251) 9.105 14.847 ( 1.927 -3.337 -0.035) 3.853 16.192 ( 1.485 -2.572 17.472) 17.723 16.215 ( -0.467 0.810 10.574) 10.615 16.519 ( -1.169 2.025 3.223) 3.982 16.695 ( -6.743 11.679 -1.572) 13.577 16.923 ( -4.327 7.495 -20.903) 22.624 17.242 ( 5.869 -10.165 -2.585) 12.019 18.685 ( 1.339 -2.319 -4.826) 5.519 18.702 ( 1.879 -3.254 -7.184) 8.108 19.572 ( -1.674 2.899 -3.558) 4.885 19.607 ( -0.736 1.274 -2.101) 2.565 20.186 ( 0.864 -1.496 1.075) 2.034 ======================= Grid point 358 (68/136) ======================= q-point: (-0.36 0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 2.759 4.778 -4.944) 7.408 2.609 ( -3.263 -5.652 -0.901) 6.589 3.290 ( 10.942 18.951 0.983) 21.905 3.347 ( 1.345 2.330 1.153) 2.927 3.712 ( -2.394 -4.146 8.134) 9.439 3.717 ( -4.862 -8.422 7.181) 12.089 6.013 ( 3.776 6.541 4.325) 8.703 6.190 ( -1.992 -3.450 3.152) 5.080 6.756 ( 0.347 0.602 -4.829) 4.879 7.324 ( 1.093 1.894 -9.533) 9.781 7.415 ( -3.387 -5.866 -12.468) 14.189 8.680 ( 2.816 4.878 -5.398) 7.801 8.795 ( 3.073 5.322 2.136) 6.506 9.018 ( -8.417 -14.579 3.049) 17.108 10.773 ( 0.878 1.521 8.292) 8.476 14.813 ( -1.322 -2.290 -0.061) 2.645 16.129 ( 3.808 6.595 16.508) 18.179 16.259 ( -3.854 -6.675 16.681) 18.376 16.527 ( 3.028 5.244 1.084) 6.152 16.894 ( 1.049 1.817 -2.113) 2.978 17.001 ( 2.859 4.951 -22.076) 22.804 17.072 ( -4.083 -7.073 -2.694) 8.600 18.656 ( -0.203 -0.352 -6.430) 6.443 18.673 ( -1.490 -2.580 -5.965) 6.668 19.603 ( 0.772 1.338 -3.414) 3.747 19.619 ( -0.033 -0.057 -2.419) 2.420 20.168 ( 0.020 0.035 1.698) 1.698 ======================= Grid point 399 (69/136) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.000 0.000 19.508) 19.508 1.405 ( 0.000 -0.000 19.508) 19.508 2.532 ( -0.000 0.000 32.969) 32.969 3.464 ( 0.000 -0.000 -11.016) 11.016 3.464 ( 0.000 0.000 -11.016) 11.016 4.100 ( 0.000 -0.000 6.219) 6.219 4.575 ( 0.000 0.000 -3.833) 3.833 6.085 ( 0.000 0.000 -13.712) 13.712 6.085 ( 0.000 0.000 -13.712) 13.712 8.352 ( 0.000 0.000 9.634) 9.634 9.058 ( 0.000 0.000 6.473) 6.473 9.058 ( 0.000 0.000 6.473) 6.473 9.337 ( 0.000 0.000 -0.712) 0.712 9.337 ( 0.000 0.000 -0.712) 0.712 9.496 ( 0.000 0.000 -9.909) 9.909 15.268 ( 0.000 0.000 -2.893) 2.893 15.268 ( -0.000 -0.000 -2.893) 2.893 15.619 ( 0.000 -0.000 -7.572) 7.572 15.619 ( 0.000 0.000 -7.572) 7.572 16.359 ( 0.000 0.000 -4.041) 4.041 16.359 ( 0.000 -0.000 -4.041) 4.041 17.563 ( -0.000 0.000 4.813) 4.813 19.171 ( 0.000 0.000 -2.560) 2.560 19.202 ( 0.000 -0.000 -3.161) 3.161 19.454 ( 0.000 0.000 5.046) 5.046 19.454 ( 0.000 -0.000 5.046) 5.046 20.075 ( 0.000 0.000 6.455) 6.455 ======================= Grid point 400 (70/136) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.419 13.221 17.240) 21.860 1.718 ( 19.265 4.370 18.258) 26.900 2.644 ( 11.917 4.564 25.800) 28.783 3.316 ( -3.675 -6.697 -9.410) 12.121 3.591 ( 1.037 5.464 -9.585) 11.081 4.117 ( 2.466 -1.020 4.399) 5.146 4.387 ( -12.558 -7.810 2.415) 14.984 6.010 ( -2.449 0.579 -12.458) 12.710 6.227 ( 6.912 3.667 -14.918) 16.845 8.276 ( -6.165 -3.455 9.523) 11.859 8.890 ( -4.494 -10.452 3.047) 11.778 9.153 ( -12.697 1.310 -2.482) 13.003 9.173 ( 0.772 -1.852 -0.414) 2.049 9.423 ( 1.522 5.330 -1.216) 5.675 9.730 ( 18.939 8.008 -1.545) 20.620 15.246 ( -3.283 5.277 -1.818) 6.475 15.402 ( 11.717 -0.190 -5.719) 13.039 15.529 ( 1.452 -5.401 -5.310) 7.712 15.858 ( 10.365 13.183 -10.203) 19.630 16.300 ( -0.550 -7.174 -2.947) 7.775 16.470 ( 5.359 9.698 -3.975) 11.772 17.573 ( 0.736 0.188 4.290) 4.357 19.173 ( 0.001 -0.953 -1.918) 2.142 19.198 ( -0.953 0.433 -2.650) 2.850 19.321 ( -6.368 -8.502 4.677) 11.607 19.464 ( -3.823 5.179 4.179) 7.675 20.091 ( 2.272 -1.913 4.514) 5.404 ======================= Grid point 401 (71/136) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 8.959 15.920 11.298) 21.479 2.009 ( 8.279 5.542 18.599) 21.100 3.018 ( 17.174 5.290 -0.638) 17.982 3.247 ( 7.570 -4.762 4.115) 9.844 3.557 ( -7.756 -0.715 -5.209) 9.370 4.098 ( -2.071 -4.209 5.528) 7.251 4.237 ( 3.328 1.156 5.905) 6.876 5.996 ( -0.079 0.351 -10.649) 10.655 6.384 ( 6.120 5.368 -14.870) 16.952 8.094 ( -9.492 -5.202 9.027) 14.094 8.666 ( -7.132 -15.304 -0.557) 16.893 8.924 ( -16.995 5.240 -1.908) 17.887 9.053 ( -6.204 -9.177 -7.409) 13.326 9.542 ( 4.992 5.361 2.088) 7.617 10.160 ( 17.661 10.455 1.764) 20.599 15.251 ( -3.160 6.956 -0.873) 7.690 15.541 ( 6.752 -7.388 -2.793) 10.391 15.601 ( 10.442 -1.668 -7.115) 12.746 16.169 ( 5.466 7.748 -4.512) 10.500 16.259 ( 5.947 4.587 -10.097) 12.585 16.717 ( 8.993 12.299 -0.200) 15.237 17.580 ( -0.001 -0.563 3.247) 3.295 19.033 ( -9.126 -9.493 2.088) 13.332 19.155 ( -6.072 -0.549 -1.214) 6.216 19.222 ( 0.953 1.427 -2.937) 3.401 19.469 ( -0.867 5.053 2.380) 5.652 20.095 ( 2.425 -5.799 1.718) 6.516 ======================= Grid point 402 (72/136) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 8.087 8.132 4.114) 12.185 2.184 ( 5.287 10.577 12.489) 17.198 3.103 ( 1.483 -1.727 -5.567) 6.015 3.322 ( -7.377 -6.894 -2.466) 10.393 3.544 ( 8.024 0.386 8.069) 11.386 4.137 ( 7.922 -3.787 3.424) 9.425 4.444 ( 17.612 11.189 8.400) 22.493 6.007 ( 2.317 -2.338 -8.421) 9.041 6.545 ( 5.157 7.046 -13.876) 16.394 7.857 ( -11.676 -5.300 7.696) 14.955 8.345 ( -11.991 -14.609 -2.077) 19.014 8.689 ( -16.075 5.013 -2.232) 16.986 8.824 ( -7.290 -11.794 -8.404) 16.214 9.679 ( 5.028 4.375 2.852) 7.249 10.506 ( 11.371 8.499 4.486) 14.888 15.273 ( -3.348 8.330 0.118) 8.979 15.562 ( 4.863 -12.236 0.610) 13.181 15.714 ( 8.507 -4.432 -6.144) 11.391 16.256 ( 7.317 0.139 -0.709) 7.353 16.567 ( 8.906 17.581 -13.332) 23.794 16.964 ( 4.481 11.896 7.494) 14.757 17.552 ( -2.185 -1.713 2.459) 3.709 18.785 ( -8.716 -7.690 -5.659) 12.928 19.023 ( -8.273 0.120 -0.644) 8.298 19.273 ( 2.791 1.796 -3.369) 4.729 19.528 ( 1.781 4.330 0.522) 4.711 20.060 ( 1.674 -8.088 0.192) 8.262 ======================= Grid point 403 (73/136) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 2.354 3.219 -3.968) 5.626 2.406 ( 6.264 10.292 5.928) 13.428 3.121 ( -6.056 -4.606 0.254) 7.613 3.149 ( 2.991 -0.365 2.866) 4.158 3.587 ( 1.631 -3.063 4.482) 5.669 4.160 ( 1.418 -6.835 6.254) 9.372 5.033 ( 30.104 14.616 3.572) 33.655 6.021 ( 3.554 -5.703 -6.575) 9.402 6.678 ( 1.665 5.414 -11.744) 13.039 7.605 ( -11.357 -2.906 4.637) 12.607 8.000 ( -14.012 -8.433 -1.327) 16.408 8.484 ( -10.697 1.470 -4.027) 11.524 8.597 ( -5.699 -10.330 -6.803) 13.619 9.793 ( 3.345 3.576 3.071) 5.780 10.723 ( 5.707 5.980 6.392) 10.449 15.296 ( -4.655 10.004 0.818) 11.064 15.475 ( 2.423 -14.767 1.073) 15.003 15.850 ( 12.446 -5.743 -2.170) 13.878 16.381 ( 6.327 -2.147 1.223) 6.792 16.873 ( 6.556 16.661 -10.180) 20.596 17.104 ( -1.046 12.017 11.099) 16.392 17.469 ( -4.998 -2.471 2.463) 6.095 18.587 ( -6.426 -5.972 -11.204) 14.230 18.903 ( -5.973 1.535 -3.152) 6.927 19.346 ( 3.180 1.905 -3.776) 5.292 19.599 ( 1.598 3.346 -0.592) 3.756 20.002 ( 1.636 -8.681 -0.101) 8.834 ======================= Grid point 404 (74/136) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.157 2.625 -9.697) 10.047 2.557 ( 2.194 4.519 3.283) 6.001 2.988 ( -4.619 -0.201 3.880) 6.036 3.217 ( 2.976 -0.608 4.463) 5.398 3.598 ( 4.512 -5.530 0.778) 7.180 4.094 ( -0.440 -5.152 12.407) 13.441 5.634 ( 22.579 8.705 -2.242) 24.302 5.986 ( -0.049 -10.013 -4.975) 11.181 6.659 ( -4.523 -1.624 -7.629) 9.016 7.505 ( -1.697 8.003 2.606) 8.586 7.708 ( -12.679 -2.684 -3.074) 13.319 8.378 ( -2.645 0.993 -3.769) 4.711 8.440 ( -1.657 -7.371 -5.951) 9.618 9.858 ( 0.637 2.328 3.111) 3.938 10.827 ( 0.922 3.503 7.248) 8.103 15.307 ( -7.020 12.407 1.372) 14.321 15.396 ( 6.574 -15.522 1.181) 16.898 15.992 ( 11.119 -9.312 -0.556) 14.514 16.407 ( 1.773 -4.744 6.680) 8.383 17.111 ( 1.978 15.131 -9.285) 17.863 17.191 ( -2.700 11.587 7.636) 14.137 17.336 ( -7.245 -2.179 4.238) 8.672 18.456 ( -1.812 -4.670 -11.667) 12.697 18.851 ( -3.214 3.368 -6.305) 7.837 19.406 ( 1.473 1.112 -4.234) 4.619 19.640 ( -0.018 2.035 -0.988) 2.262 19.957 ( 3.086 -7.937 0.121) 8.517 ======================= Grid point 411 (75/136) ======================= q-point: ( 0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 7.694 13.326 15.899) 22.126 1.921 ( 9.442 16.354 13.627) 23.287 2.851 ( 9.712 16.822 17.306) 26.016 3.174 ( -3.602 -6.238 -6.907) 9.980 3.632 ( -2.501 -4.332 -10.105) 11.275 4.087 ( -0.977 -1.693 4.142) 4.580 4.223 ( -2.139 -3.704 9.045) 10.006 6.007 ( -0.648 -1.122 -12.187) 12.256 6.354 ( 4.716 8.169 -14.813) 17.562 8.156 ( -4.608 -7.981 9.368) 13.140 8.627 ( -8.573 -14.849 3.243) 17.450 9.044 ( -4.886 -8.463 -9.475) 13.611 9.217 ( -0.011 -0.018 -2.560) 2.560 9.430 ( -0.634 -1.097 2.393) 2.708 10.063 ( 12.119 20.992 0.968) 24.258 15.343 ( 0.600 1.039 -4.786) 4.934 15.445 ( -1.630 -2.823 -2.383) 4.037 15.472 ( 5.398 9.350 -3.056) 11.221 16.175 ( -2.798 -4.847 -0.826) 5.657 16.206 ( 11.235 19.459 -14.200) 26.580 16.705 ( 7.921 13.719 -3.152) 16.152 17.575 ( -0.067 -0.116 3.800) 3.802 19.058 ( -6.339 -10.979 2.779) 12.979 19.196 ( -0.627 -1.087 -2.797) 3.066 19.229 ( 0.087 0.152 -2.053) 2.061 19.527 ( 0.949 1.644 2.508) 3.145 20.029 ( -2.207 -3.822 4.217) 6.104 ======================= Grid point 412 (76/136) ======================= q-point: ( 0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 5.064 9.758 11.552) 15.947 2.240 ( 6.337 17.661 10.862) 21.681 3.069 ( -1.079 -2.640 -5.325) 6.040 3.236 ( 11.605 2.874 1.667) 12.071 3.484 ( -2.416 -2.641 1.374) 3.834 4.039 ( -0.526 -3.527 3.833) 5.235 4.323 ( 9.253 9.502 9.669) 16.413 5.972 ( -0.884 -2.828 -10.146) 10.570 6.527 ( 5.459 8.262 -13.982) 17.133 7.980 ( -7.859 -5.400 8.917) 13.055 8.309 ( -7.865 -19.649 0.333) 21.168 8.841 ( -7.253 -10.798 -10.649) 16.811 9.083 ( -17.892 8.124 -1.960) 19.747 9.499 ( 11.964 -7.835 2.578) 14.532 10.450 ( 10.215 16.245 3.187) 19.453 15.336 ( -1.232 -2.561 -3.986) 4.896 15.417 ( 2.797 -2.770 1.396) 4.176 15.646 ( 2.767 7.276 -2.773) 8.264 16.141 ( 3.812 -1.753 -0.073) 4.197 16.585 ( 10.072 18.550 -14.299) 25.495 16.987 ( 7.517 13.905 1.899) 15.921 17.559 ( -0.990 -1.657 3.210) 3.746 18.830 ( -6.856 -9.925 -4.187) 12.768 19.133 ( -4.988 -2.355 -2.594) 6.096 19.260 ( 1.577 2.429 -2.763) 4.003 19.557 ( 0.135 3.736 1.239) 3.939 19.953 ( 0.177 -7.718 3.446) 8.454 ======================= Grid point 413 (77/136) ======================= q-point: ( 0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 2.874 6.647 3.149) 7.897 2.498 ( 2.224 19.385 6.183) 20.469 3.055 ( 3.327 -3.369 -0.935) 4.826 3.172 ( -4.981 -7.123 -2.585) 9.068 3.569 ( 0.993 2.028 6.878) 7.239 4.026 ( 4.368 -7.126 5.037) 9.759 4.732 ( 22.038 16.920 6.699) 28.581 5.926 ( 0.598 -5.715 -7.790) 9.680 6.686 ( 3.676 6.015 -11.571) 13.549 7.766 ( -11.551 -4.567 4.569) 13.235 8.018 ( -4.104 -14.570 0.264) 15.139 8.595 ( -7.707 -11.586 -10.547) 17.461 8.831 ( -19.675 8.096 -1.027) 21.300 9.631 ( 11.869 -8.025 2.417) 14.530 10.726 ( 5.433 12.195 5.096) 14.291 15.253 ( 0.458 -11.169 -1.936) 11.345 15.478 ( 2.795 3.291 4.370) 6.143 15.713 ( -0.569 5.100 -1.515) 5.351 16.247 ( 7.513 -0.354 0.773) 7.561 16.910 ( 7.587 15.315 -7.963) 18.855 17.211 ( 3.366 12.899 4.250) 13.992 17.504 ( -2.677 -3.102 2.947) 5.047 18.638 ( -6.325 -6.262 -13.192) 15.914 19.003 ( -5.952 -2.611 -3.438) 7.353 19.326 ( 2.486 3.483 -2.938) 5.191 19.608 ( 1.213 3.421 -0.020) 3.630 19.882 ( 1.290 -9.112 3.034) 9.690 ======================= Grid point 414 (78/136) ======================= q-point: ( 0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.086 5.553 -5.350) 7.711 2.684 ( -2.529 17.471 1.685) 17.733 3.044 ( -3.700 -2.807 1.126) 4.779 3.107 ( 6.485 -4.580 2.740) 8.399 3.547 ( -2.166 -0.421 5.333) 5.772 4.011 ( 2.544 -7.806 10.962) 13.696 5.316 ( 25.206 13.056 0.914) 28.401 5.877 ( 1.479 -8.433 -5.912) 10.405 6.706 ( -3.996 -4.129 -6.082) 8.367 7.580 ( -3.042 -0.790 -4.065) 5.138 7.864 ( -6.936 -1.135 1.432) 7.172 8.381 ( -3.900 -8.680 -8.348) 12.659 8.596 ( -14.894 6.090 -0.905) 16.116 9.733 ( 9.321 -8.779 2.390) 13.026 10.884 ( 0.713 9.115 6.143) 11.015 15.157 ( 3.100 -13.014 -0.344) 13.383 15.546 ( -3.023 9.835 4.676) 11.302 15.766 ( 5.018 -2.121 1.366) 5.617 16.333 ( 3.064 -1.632 4.278) 5.509 17.132 ( 5.242 7.739 5.109) 10.653 17.390 ( -0.590 12.157 -1.906) 12.320 17.412 ( -3.708 1.936 -2.145) 4.701 18.472 ( -6.167 -5.108 -14.548) 16.606 18.911 ( -2.214 -1.293 -7.448) 7.877 19.403 ( 1.816 3.803 -3.371) 5.397 19.654 ( 0.709 1.954 -0.842) 2.243 19.821 ( 2.359 -8.897 3.295) 9.776 ======================= Grid point 415 (79/136) ======================= q-point: ( 0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -2.473 4.284 -8.815) 10.108 2.749 ( -8.313 14.399 0.163) 16.627 2.997 ( -0.462 0.799 2.845) 2.991 3.149 ( 4.162 -7.208 3.385) 8.986 3.524 ( 0.281 -0.486 3.782) 3.823 3.987 ( 3.317 -5.746 14.880) 16.292 5.736 ( 1.143 -1.980 -2.492) 3.382 5.764 ( 4.976 -8.618 -4.930) 11.106 6.587 ( 2.741 -4.748 -2.118) 5.878 7.613 ( 0.996 -1.725 -10.734) 10.917 7.753 ( -6.302 10.915 2.874) 12.927 8.313 ( 2.194 -3.801 -5.520) 7.052 8.484 ( -4.656 8.064 -1.339) 9.407 9.770 ( 6.011 -10.411 2.382) 12.256 10.935 ( -3.743 6.483 6.449) 9.881 15.117 ( 6.693 -11.592 0.199) 13.387 15.568 ( -6.982 12.093 3.864) 14.488 15.809 ( 4.810 -8.331 3.524) 10.245 16.342 ( 0.837 -1.450 6.652) 6.860 17.274 ( -0.504 0.874 11.261) 11.306 17.285 ( 0.128 -0.222 2.332) 2.346 17.505 ( -9.669 16.748 -14.402) 24.112 18.377 ( 1.395 -2.417 -13.024) 13.320 18.889 ( 0.045 -0.079 -9.645) 9.646 19.443 ( -1.410 2.442 -3.860) 4.780 19.668 ( -0.389 0.674 -0.639) 1.007 19.796 ( 4.442 -7.694 3.318) 9.484 ======================= Grid point 424 (80/136) ======================= q-point: ( 0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 4.300 7.447 7.037) 11.111 2.604 ( 9.851 17.063 6.464) 20.736 3.002 ( -1.611 -2.791 -3.080) 4.458 3.173 ( -3.711 -6.428 -3.821) 8.348 3.566 ( 3.648 6.319 6.996) 10.109 3.943 ( -3.018 -5.227 4.713) 7.658 4.626 ( 11.668 20.210 8.143) 24.716 5.892 ( -2.821 -4.887 -8.181) 9.939 6.683 ( 3.722 6.447 -11.419) 13.631 7.909 ( -1.044 -1.808 8.186) 8.448 7.910 ( -10.945 -18.957 -2.788) 22.067 8.606 ( -7.169 -12.417 -11.184) 18.184 9.223 ( -0.076 -0.132 -4.054) 4.057 9.307 ( -2.900 -5.022 5.320) 7.869 10.745 ( 7.368 12.762 4.674) 15.459 15.190 ( -5.014 -8.685 -1.957) 10.217 15.439 ( 1.827 3.164 3.233) 4.878 15.800 ( 3.151 5.458 0.797) 6.352 16.159 ( 2.380 4.122 -0.175) 4.763 16.920 ( 8.136 14.091 -7.054) 17.735 17.245 ( 7.057 12.224 1.550) 14.200 17.510 ( -1.946 -3.370 3.309) 5.108 18.665 ( -3.677 -6.369 -14.702) 16.439 19.044 ( -3.804 -6.589 -4.165) 8.673 19.323 ( 2.258 3.910 -2.294) 5.064 19.619 ( 1.430 2.477 0.394) 2.888 19.815 ( -3.345 -5.793 5.084) 8.402 ======================= Grid point 425 (81/136) ======================= q-point: ( 0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.729 7.641 -0.979) 7.895 2.873 ( 3.141 11.769 5.461) 13.350 2.987 ( 1.367 2.012 -5.057) 5.611 3.067 ( -2.319 -3.276 -0.100) 4.015 3.617 ( -2.967 2.541 8.886) 9.707 3.872 ( 2.786 -7.890 8.136) 11.671 5.084 ( 18.013 17.886 3.771) 25.663 5.793 ( -1.283 -7.068 -5.816) 9.243 6.718 ( -2.969 -4.907 -5.058) 7.647 7.604 ( -5.210 -8.103 -8.475) 12.831 7.931 ( 0.503 3.948 4.096) 5.711 8.373 ( -5.588 -9.822 -8.952) 14.417 8.982 ( -20.953 6.507 0.623) 21.949 9.403 ( 14.675 -14.086 1.063) 20.369 10.948 ( 3.310 9.571 5.592) 11.569 15.033 ( -1.996 -9.824 -0.729) 10.051 15.530 ( 5.060 2.815 6.300) 8.556 15.835 ( -3.670 4.100 4.115) 6.871 16.276 ( 4.532 4.150 0.547) 6.170 17.113 ( 3.825 4.991 8.576) 10.634 17.425 ( -3.098 -4.567 4.013) 6.824 17.508 ( 6.873 16.811 -11.410) 21.449 18.553 ( -5.841 -2.418 -20.240) 21.204 18.902 ( -2.775 -7.691 -6.695) 10.567 19.410 ( 2.551 4.875 -2.011) 5.858 19.657 ( 0.757 1.462 -0.391) 1.692 19.724 ( -0.455 -6.335 6.148) 8.839 ======================= Grid point 426 (82/136) ======================= q-point: ( 0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -2.378 7.561 -6.585) 10.305 2.942 ( 5.880 -8.694 -1.304) 10.577 3.024 ( -0.499 0.222 2.925) 2.976 3.074 ( -6.892 17.953 -1.833) 19.318 3.572 ( -3.506 2.452 9.451) 10.375 3.859 ( 4.012 -7.362 13.257) 15.686 5.522 ( 14.818 5.939 -2.016) 16.091 5.727 ( 0.628 -3.878 -2.308) 4.556 6.501 ( -4.971 -15.243 0.727) 16.049 7.582 ( 2.291 2.363 -13.366) 13.765 7.927 ( -4.546 1.589 -5.844) 7.572 8.296 ( 0.213 3.729 0.431) 3.760 8.713 ( -14.591 4.983 0.774) 15.438 9.482 ( 11.383 -15.521 0.898) 19.268 11.049 ( -1.075 6.918 5.956) 9.192 14.940 ( 2.083 -8.528 -0.090) 8.779 15.654 ( 5.898 1.844 7.778) 9.934 15.779 ( -5.693 1.567 7.004) 9.161 16.356 ( -0.401 4.421 2.410) 5.051 17.208 ( 4.917 1.089 10.523) 11.666 17.316 ( -3.590 -5.183 6.131) 8.794 17.773 ( 0.530 18.712 -19.547) 27.065 18.400 ( -7.190 -1.832 -15.247) 16.956 18.830 ( 2.644 -7.155 -11.968) 14.192 19.490 ( 0.459 4.662 -2.647) 5.381 19.661 ( 0.323 -3.423 5.081) 6.135 19.682 ( 1.436 -2.490 1.456) 3.223 ======================= Grid point 432 (83/136) ======================= q-point: (-0.09 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -6.720 11.639 13.365) 18.954 1.960 ( -4.711 8.160 20.271) 22.353 2.961 ( -11.724 20.307 3.733) 23.744 3.320 ( -1.107 1.917 -0.497) 2.269 3.533 ( 2.286 -3.959 -3.062) 5.502 4.192 ( 5.204 -9.013 7.923) 13.080 4.201 ( -2.752 4.766 0.366) 5.515 5.983 ( -0.260 0.451 -10.102) 10.115 6.331 ( -3.190 5.525 -15.231) 16.513 8.152 ( 4.868 -8.432 9.019) 13.271 8.848 ( 9.926 -17.193 -3.252) 20.117 8.853 ( 3.417 -5.919 -4.791) 8.346 9.263 ( -1.684 2.917 7.048) 7.811 9.336 ( 1.870 -3.238 -6.161) 7.207 10.069 ( -10.809 18.721 1.377) 21.661 15.169 ( 1.489 -2.579 0.104) 2.980 15.627 ( -6.545 11.337 -6.034) 14.414 15.658 ( -4.540 7.863 -8.480) 12.424 15.977 ( -5.771 9.996 -8.202) 14.160 16.307 ( 1.999 -3.463 -5.276) 6.620 16.563 ( -5.864 10.157 0.710) 11.750 17.585 ( -0.217 0.377 3.269) 3.298 19.135 ( 2.919 -5.056 0.065) 5.839 19.178 ( 5.884 -10.191 2.941) 12.129 19.207 ( 0.308 -0.533 -2.692) 2.762 19.395 ( -0.686 1.188 2.757) 3.079 20.157 ( -1.501 2.600 0.988) 3.161 ======================= Grid point 436 (84/136) ======================= q-point: ( 0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 4.072 7.054 -5.208) 9.668 2.816 ( -3.497 -6.058 -2.350) 7.379 3.030 ( -0.364 -0.631 1.920) 2.053 3.258 ( 7.585 13.138 -1.681) 15.263 3.653 ( 0.095 0.165 12.362) 12.363 3.738 ( -2.540 -4.400 10.206) 11.401 5.414 ( 7.522 13.028 -0.759) 15.062 5.695 ( 0.016 0.028 -1.441) 1.441 6.467 ( -10.519 -18.219 1.339) 21.081 7.576 ( 2.554 4.424 -14.219) 15.108 7.964 ( -2.855 -4.945 -9.869) 11.401 8.323 ( 4.660 8.071 3.280) 9.880 9.007 ( -5.940 -10.288 6.093) 13.351 9.164 ( -1.793 -3.106 -4.138) 5.476 11.094 ( 2.890 5.005 5.790) 8.181 14.879 ( -3.111 -5.388 -0.192) 6.225 15.608 ( 2.799 4.848 9.155) 10.731 15.836 ( -1.843 -3.191 9.160) 9.873 16.396 ( 3.591 6.220 -0.569) 7.204 17.162 ( 0.868 1.503 12.400) 12.520 17.318 ( -3.265 -5.656 5.264) 8.388 17.855 ( 9.705 16.810 -20.101) 27.943 18.513 ( -1.824 -3.159 -21.681) 21.986 18.719 ( -5.117 -8.863 -8.066) 13.031 19.509 ( 2.721 4.712 -0.765) 5.495 19.634 ( -1.652 -2.862 7.686) 8.367 19.665 ( -0.328 -0.568 -0.875) 1.094 ======================= Grid point 437 (85/136) ======================= q-point: ( 0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -5.128 8.881 -6.545) 12.166 2.736 ( 5.898 -10.216 -4.563) 12.648 3.027 ( -0.144 0.250 2.432) 2.449 3.405 ( -7.047 12.205 -1.613) 14.185 3.622 ( -1.368 2.369 12.677) 12.969 3.715 ( 4.136 -7.164 12.514) 15.001 5.505 ( 1.691 -2.929 -5.903) 6.803 5.822 ( -5.308 9.193 3.176) 11.080 6.181 ( 8.252 -14.293 3.215) 16.815 7.671 ( -3.175 5.499 -14.875) 16.173 7.852 ( 3.519 -6.094 -13.800) 15.491 8.518 ( -7.462 12.925 6.579) 16.310 8.776 ( -0.571 0.989 4.032) 4.191 9.170 ( 7.517 -13.020 -2.471) 15.236 11.144 ( -1.432 2.481 5.826) 6.492 14.825 ( 1.701 -2.946 -0.013) 3.402 15.689 ( -1.101 1.907 10.283) 10.516 15.768 ( 1.085 -1.879 10.926) 11.140 16.466 ( -2.539 4.397 -0.500) 5.102 17.203 ( 0.935 -1.619 10.353) 10.520 17.228 ( 1.135 -1.966 6.984) 7.343 18.080 ( -5.595 9.690 -27.177) 29.391 18.421 ( -2.902 5.026 -12.430) 13.718 18.635 ( 6.536 -11.320 -12.453) 18.054 19.576 ( -1.998 3.460 -2.280) 4.601 19.596 ( 0.802 -1.389 10.205) 10.331 19.651 ( 1.186 -2.055 -1.268) 2.690 ======================= Grid point 443 (86/136) ======================= q-point: (-0.18 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -13.657 13.333 7.496) 20.505 2.075 ( -3.846 2.866 13.896) 14.701 3.133 ( 0.905 0.691 -11.913) 11.968 3.409 ( 5.738 -6.520 -0.020) 8.686 3.547 ( -6.922 12.672 10.156) 17.653 4.183 ( -5.677 12.340 9.534) 16.595 4.303 ( -6.026 3.764 1.757) 7.319 6.026 ( -1.971 3.505 -7.711) 8.696 6.441 ( -4.885 2.866 -14.845) 15.888 7.951 ( 8.493 -8.614 7.850) 14.421 8.473 ( 11.373 -20.199 -4.232) 23.564 8.698 ( 7.281 -5.374 -5.927) 10.818 9.101 ( 16.453 4.721 -2.407) 17.285 9.455 ( -14.007 -8.811 2.506) 16.736 10.412 ( -9.655 13.471 4.217) 17.102 15.132 ( -1.607 -5.599 0.922) 5.898 15.794 ( 1.824 15.057 -2.297) 15.340 15.833 ( -1.174 12.904 -9.858) 16.281 16.206 ( -8.410 1.928 -1.564) 8.769 16.286 ( -8.461 0.751 -11.022) 13.916 16.776 ( -8.637 3.719 6.927) 11.680 17.574 ( 1.366 -1.291 2.200) 2.893 18.911 ( 9.822 -8.834 -1.932) 13.351 19.011 ( 3.800 -8.106 0.855) 8.993 19.254 ( -1.992 2.996 -3.399) 4.950 19.452 ( -3.722 1.311 1.008) 4.073 20.178 ( 2.157 2.753 -1.388) 3.762 ======================= Grid point 455 (87/136) ======================= q-point: (-0.27 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -2.221 6.508 -0.735) 6.916 2.252 ( -12.144 9.031 7.270) 16.789 3.140 ( -1.537 1.970 -1.868) 3.119 3.216 ( 8.191 -6.471 1.626) 10.565 3.644 ( 0.677 3.335 6.070) 6.959 4.272 ( 3.304 2.664 1.462) 4.489 4.774 ( -25.293 23.138 7.144) 35.016 6.102 ( -0.637 6.193 -5.660) 8.414 6.555 ( -6.440 -0.025 -13.799) 15.228 7.693 ( 10.941 -8.991 5.321) 15.128 8.073 ( 10.842 -20.564 -3.777) 23.552 8.526 ( 7.033 -2.954 -5.344) 9.313 8.853 ( 16.117 3.077 -3.788) 16.840 9.591 ( -12.338 -9.711 3.071) 15.999 10.659 ( -6.226 8.785 6.626) 12.643 15.106 ( -3.489 -8.576 1.147) 9.329 15.812 ( 12.010 14.384 -0.327) 18.742 15.982 ( -0.797 15.789 -5.806) 16.842 16.367 ( -8.498 4.623 -2.829) 10.079 16.552 ( -16.546 -0.085 -9.947) 19.307 16.899 ( -6.263 -4.394 14.737) 16.605 17.506 ( 3.655 -3.872 1.705) 5.591 18.689 ( 7.563 -5.437 -8.275) 12.459 18.868 ( 2.806 -8.010 -0.572) 8.507 19.327 ( -2.330 3.799 -3.772) 5.838 19.532 ( -3.923 0.831 -0.024) 4.011 20.146 ( 4.472 2.908 -2.129) 5.744 ======================= Grid point 456 (88/136) ======================= q-point: (-0.18 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.802 3.121 3.818) 5.251 2.160 ( -11.179 19.363 4.430) 22.793 3.138 ( -0.752 1.303 -4.229) 4.488 3.257 ( 4.868 -8.432 2.395) 10.026 3.667 ( -0.906 1.570 6.841) 7.077 4.317 ( 0.306 -0.529 -1.138) 1.292 4.663 ( -17.253 29.883 9.416) 35.767 6.127 ( -3.498 6.058 -4.591) 8.367 6.494 ( -1.450 2.512 -14.795) 15.077 7.754 ( 6.442 -11.158 5.858) 14.153 8.047 ( 12.480 -21.616 -5.648) 25.592 8.581 ( 3.354 -5.810 -6.830) 9.573 9.151 ( 3.298 -5.713 -4.033) 7.732 9.287 ( 1.088 -1.885 5.610) 6.018 10.654 ( -6.041 10.463 6.702) 13.816 15.031 ( 2.628 -4.551 1.190) 5.388 16.085 ( -6.780 11.743 -9.896) 16.786 16.106 ( -7.644 13.239 -2.292) 15.458 16.200 ( -0.469 0.813 -0.111) 0.945 16.372 ( -4.502 7.798 -7.424) 11.670 16.827 ( -0.401 0.695 13.694) 13.717 17.518 ( 2.613 -4.525 1.447) 5.422 18.728 ( 4.889 -8.468 -7.247) 12.170 18.851 ( 4.562 -7.901 0.280) 9.127 19.329 ( -2.464 4.268 -3.749) 6.192 19.498 ( -1.655 2.867 0.356) 3.330 20.200 ( 0.181 -0.314 -2.813) 2.837 ======================= Grid point 467 (89/136) ======================= q-point: (-0.36 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.032 3.230 -7.069) 7.773 2.530 ( -6.450 11.628 4.308) 13.978 3.015 ( 6.932 -6.521 3.420) 10.113 3.216 ( -2.405 3.549 1.638) 4.590 3.683 ( -0.820 5.977 4.211) 7.357 4.189 ( 5.884 -1.816 6.314) 8.820 5.434 ( -23.547 20.488 1.054) 31.231 6.147 ( 3.559 6.214 -4.248) 8.326 6.631 ( -2.736 -3.319 -11.843) 12.600 7.437 ( 6.094 -8.322 2.835) 10.698 7.719 ( 7.668 -17.172 -3.231) 19.082 8.418 ( 4.238 1.337 -4.106) 6.050 8.633 ( 12.146 3.035 -4.358) 13.256 9.682 ( -10.111 -11.193 3.165) 15.412 10.803 ( -2.403 5.345 7.983) 9.903 15.082 ( -4.762 -10.407 0.995) 11.488 15.743 ( 12.360 15.845 1.345) 20.140 16.161 ( -0.731 16.430 -3.157) 16.746 16.503 ( 0.674 5.542 0.674) 5.623 16.798 ( -13.309 -5.196 -8.453) 16.600 16.962 ( -10.161 -6.428 14.840) 19.100 17.371 ( 5.555 -6.847 2.032) 9.048 18.540 ( 5.234 -2.067 -10.425) 11.847 18.774 ( -0.575 -6.826 -3.897) 7.881 19.400 ( -1.514 3.504 -4.064) 5.575 19.593 ( -2.644 -0.282 -0.738) 2.759 20.096 ( 4.579 3.574 -1.859) 6.099 ======================= Grid point 468 (90/136) ======================= q-point: (-0.27 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.213 4.994 -3.281) 5.979 2.528 ( -9.404 15.345 2.552) 18.177 3.087 ( 6.563 -4.616 2.663) 8.454 3.206 ( -3.267 4.236 0.149) 5.351 3.692 ( -1.672 1.759 7.071) 7.476 4.250 ( 4.533 -4.495 1.400) 6.536 5.280 ( -20.125 26.147 4.201) 33.261 6.235 ( -0.755 6.462 -2.104) 6.838 6.545 ( -3.266 -0.831 -14.160) 14.556 7.504 ( 10.277 -9.896 1.930) 14.397 7.653 ( 7.580 -20.363 -5.611) 22.441 8.494 ( 2.735 -0.170 -4.826) 5.550 8.921 ( 16.595 3.046 -1.783) 16.967 9.345 ( -12.193 -13.810 3.246) 18.707 10.822 ( -3.247 7.045 8.329) 11.382 14.953 ( -0.094 -6.624 0.821) 6.675 16.114 ( 11.612 15.256 1.185) 19.209 16.296 ( -2.088 14.769 -6.320) 16.200 16.441 ( -13.054 3.614 -2.916) 13.856 16.569 ( -12.241 1.554 -4.865) 13.264 16.798 ( 0.320 -5.436 17.199) 18.041 17.390 ( 5.075 -7.855 1.098) 9.416 18.589 ( 3.987 -4.241 -10.103) 11.659 18.712 ( 2.119 -7.419 -2.224) 8.030 19.414 ( -1.926 4.585 -3.777) 6.244 19.554 ( -2.128 1.164 -0.337) 2.449 20.176 ( 2.248 0.333 -2.802) 3.608 ======================= Grid point 477 (91/136) ======================= q-point: (-0.45 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.336 2.313 -9.112) 9.495 2.668 ( 5.883 10.190 3.294) 12.219 2.894 ( -2.908 -5.037 4.574) 7.400 3.257 ( 1.008 1.745 1.750) 2.669 3.749 ( 3.835 6.643 1.067) 7.744 4.102 ( -0.631 -1.093 11.207) 11.277 5.839 ( 1.909 3.307 -3.804) 5.391 6.094 ( 4.209 7.291 -1.682) 8.585 6.602 ( -1.303 -2.256 -10.289) 10.614 7.373 ( -3.905 -6.763 4.747) 9.139 7.529 ( -4.446 -7.700 -6.334) 10.917 8.397 ( 2.378 4.118 -3.070) 5.660 8.531 ( 3.656 6.333 -4.873) 8.787 9.714 ( -7.431 -12.871 3.173) 15.197 10.850 ( 1.566 2.713 8.395) 8.960 15.070 ( -6.027 -10.440 0.877) 12.087 15.715 ( 10.194 17.656 2.056) 20.491 16.277 ( 7.588 13.142 -4.216) 15.750 16.489 ( 2.649 4.588 7.531) 9.207 16.880 ( -7.291 -12.628 -5.132) 15.458 17.096 ( -4.168 -7.219 7.560) 11.253 17.228 ( -2.155 -3.733 2.696) 5.084 18.481 ( 0.829 1.436 -10.451) 10.582 18.747 ( -3.251 -5.632 -5.526) 8.534 19.434 ( 1.133 1.962 -4.244) 4.810 19.615 ( -0.825 -1.429 -0.976) 1.917 20.072 ( 2.771 4.800 -1.562) 5.758 ======================= Grid point 479 (92/136) ======================= q-point: (-0.36 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 2.046 6.470 -5.821) 8.940 2.742 ( -5.916 0.371 2.652) 6.494 2.966 ( 9.627 9.942 2.263) 14.023 3.289 ( -0.632 3.528 -0.156) 3.587 3.797 ( -5.842 5.014 5.679) 9.566 4.086 ( 5.412 -8.506 5.999) 11.732 5.812 ( -13.554 16.723 -0.133) 21.526 6.245 ( 5.569 3.040 -0.124) 6.346 6.563 ( -0.630 -2.848 -13.349) 13.664 7.285 ( 2.176 -6.553 -0.056) 6.905 7.400 ( 1.691 -13.835 -5.987) 15.170 8.490 ( 1.388 5.504 -2.544) 6.220 8.705 ( 11.023 4.116 -2.206) 11.971 9.397 ( -11.008 -16.336 2.877) 19.908 10.906 ( 0.110 4.419 9.056) 10.077 14.907 ( -2.582 -6.902 0.454) 7.383 16.079 ( 11.132 17.408 3.547) 20.965 16.464 ( -1.033 13.151 -4.009) 13.787 16.594 ( 1.593 3.211 -0.700) 3.652 16.676 ( -2.576 -6.030 5.058) 8.282 16.870 ( -14.489 -3.048 5.942) 15.954 17.198 ( 5.538 -10.346 0.721) 11.757 18.508 ( 2.039 -1.139 -9.806) 10.080 18.642 ( -1.673 -6.144 -5.129) 8.176 19.475 ( 0.062 3.676 -3.665) 5.191 19.587 ( -1.203 -0.403 -0.967) 1.595 20.145 ( 2.002 1.466 -2.277) 3.368 ======================= Grid point 480 (93/136) ======================= q-point: (-0.27 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -3.485 6.036 -3.583) 7.837 2.675 ( 1.293 -2.239 1.009) 2.776 3.146 ( -6.087 10.544 0.722) 12.196 3.297 ( -2.417 4.187 -0.458) 4.857 3.733 ( -1.877 3.252 8.699) 9.475 4.100 ( 5.981 -10.360 3.315) 12.414 5.771 ( -12.826 22.216 1.782) 25.714 6.314 ( -0.094 0.163 1.579) 1.590 6.535 ( -0.044 0.076 -15.139) 15.139 7.307 ( 6.980 -12.089 -8.312) 16.247 7.315 ( 5.460 -9.456 -0.494) 10.931 8.531 ( -2.238 3.876 -2.558) 5.155 8.926 ( 2.730 -4.729 -1.241) 5.600 9.113 ( 3.794 -6.571 3.253) 8.255 10.930 ( -2.150 3.724 9.255) 10.205 14.850 ( 2.069 -3.583 0.322) 4.150 16.354 ( -3.818 6.613 3.054) 8.224 16.497 ( -4.208 7.289 1.338) 8.522 16.589 ( -1.285 2.226 1.076) 2.787 16.617 ( -6.433 11.142 -2.150) 13.044 16.704 ( 1.938 -3.357 7.074) 8.066 17.195 ( 6.644 -11.508 0.027) 13.288 18.525 ( 1.321 -2.288 -9.970) 10.314 18.589 ( 2.628 -4.551 -4.567) 6.962 19.497 ( -1.976 3.422 -3.297) 5.147 19.572 ( -0.315 0.546 -0.989) 1.173 20.169 ( 0.388 -0.672 -2.489) 2.607 ======================= Grid point 491 (94/136) ======================= q-point: (-0.36 0.64 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 4.639 8.036 -2.948) 9.736 2.607 ( -4.957 -8.586 0.447) 9.924 3.291 ( 8.626 14.941 -0.393) 17.256 3.342 ( 0.867 1.503 -1.466) 2.272 3.866 ( -0.717 -1.242 6.544) 6.700 3.876 ( -4.334 -7.507 7.563) 11.504 6.071 ( 4.886 8.463 0.918) 9.816 6.252 ( -1.069 -1.852 2.655) 3.410 6.537 ( -0.063 -0.109 -15.612) 15.612 7.190 ( -1.616 -2.799 -2.963) 4.385 7.202 ( -3.040 -5.266 -7.639) 9.764 8.604 ( 2.426 4.201 -1.122) 4.979 8.813 ( 4.490 7.777 -0.273) 8.984 9.075 ( -8.559 -14.825 2.060) 17.242 10.967 ( 0.933 1.616 9.532) 9.713 14.814 ( -1.385 -2.399 0.107) 2.773 16.406 ( 8.102 14.032 5.995) 17.277 16.575 ( -1.446 -2.505 10.373) 10.769 16.612 ( -0.999 -1.729 8.491) 8.722 16.662 ( 2.401 4.158 -8.830) 10.051 16.831 ( -0.491 -0.850 -1.756) 2.011 16.997 ( -4.442 -7.693 -2.210) 9.154 18.500 ( 0.260 0.451 -8.676) 8.691 18.544 ( -1.961 -3.397 -6.547) 7.632 19.536 ( 1.294 2.241 -2.789) 3.804 19.575 ( -0.499 -0.864 -1.594) 1.881 20.161 ( 0.180 0.312 -2.203) 2.233 ======================= Grid point 532 (95/136) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 0.000 13.338) 13.338 1.756 ( -0.000 0.000 13.338) 13.338 3.115 ( -0.000 0.000 22.073) 22.073 3.242 ( 0.000 0.000 -9.337) 9.337 3.242 ( -0.000 0.000 -9.337) 9.337 4.207 ( 0.000 0.000 3.716) 3.716 4.458 ( 0.000 0.000 -6.676) 6.676 5.854 ( 0.000 -0.000 -7.924) 7.924 5.854 ( 0.000 0.000 -7.924) 7.924 8.563 ( -0.000 0.000 9.862) 9.862 9.166 ( 0.000 0.000 3.757) 3.757 9.166 ( 0.000 -0.000 3.757) 3.757 9.283 ( 0.000 0.000 -9.835) 9.835 9.322 ( 0.000 -0.000 -0.709) 0.709 9.322 ( 0.000 -0.000 -0.709) 0.709 15.241 ( 0.000 -0.000 0.513) 0.513 15.241 ( 0.000 0.000 0.513) 0.513 15.443 ( 0.000 0.000 -8.340) 8.340 15.443 ( 0.000 -0.000 -8.340) 8.340 16.314 ( 0.000 -0.000 -0.878) 0.878 16.314 ( 0.000 0.000 -0.878) 0.878 17.650 ( 0.000 0.000 3.193) 3.193 19.128 ( 0.000 -0.000 -1.455) 1.455 19.144 ( 0.000 0.000 -2.166) 2.166 19.537 ( 0.000 0.000 2.768) 2.768 19.537 ( 0.000 -0.000 2.768) 2.768 20.185 ( 0.000 0.000 3.853) 3.853 ======================= Grid point 533 (96/136) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -0.376 10.777 14.432) 18.016 2.031 ( 21.428 1.775 10.545) 23.948 2.957 ( -13.046 2.275 1.441) 13.321 3.241 ( 9.187 -9.074 0.692) 12.931 3.417 ( 5.469 7.690 -1.479) 9.552 4.200 ( -0.194 -0.915 3.131) 3.267 4.375 ( -5.688 -2.792 -2.840) 6.944 5.821 ( 0.081 0.122 -5.280) 5.282 5.953 ( 5.062 3.442 -10.796) 12.411 8.487 ( -6.162 -3.601 10.298) 12.529 8.918 ( -12.497 -5.888 -1.386) 13.884 9.096 ( -5.317 -9.385 -2.710) 11.122 9.129 ( -7.737 -3.201 -2.357) 8.699 9.425 ( 3.879 9.000 0.981) 9.850 9.713 ( 21.958 9.947 -0.280) 24.108 15.239 ( -1.395 3.833 1.254) 4.267 15.337 ( 8.569 1.112 -0.177) 8.643 15.414 ( 3.638 -2.890 -5.345) 7.082 15.614 ( 8.508 9.511 -11.919) 17.462 16.271 ( -1.562 -4.530 -0.369) 4.806 16.426 ( 7.771 8.089 -0.867) 11.251 17.652 ( 0.119 -0.011 2.998) 3.000 19.135 ( 0.528 0.114 -1.423) 1.522 19.146 ( -0.155 0.222 -2.032) 2.050 19.411 ( -8.225 -8.407 3.436) 12.253 19.530 ( -3.116 2.890 2.092) 4.737 20.172 ( -0.600 -1.790 2.917) 3.475 ======================= Grid point 534 (97/136) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.231 11.268 9.632) 15.172 2.367 ( 10.701 0.322 15.082) 18.496 2.835 ( -2.393 6.683 -10.583) 12.743 3.309 ( 5.444 -7.387 -5.455) 10.675 3.570 ( 7.423 2.508 7.847) 11.089 4.178 ( 0.201 -2.466 2.960) 3.858 4.333 ( 3.003 4.078 2.456) 5.628 5.849 ( 2.801 -0.151 -3.086) 4.170 6.090 ( 5.545 5.730 -12.532) 14.854 8.297 ( -10.454 -5.498 10.199) 15.606 8.631 ( -11.837 -9.910 -3.485) 15.826 8.889 ( -19.089 6.832 -2.191) 20.393 8.912 ( -2.808 -17.531 -4.641) 18.351 9.582 ( 5.949 5.274 1.554) 8.100 10.191 ( 19.627 11.264 1.101) 22.656 15.262 ( -1.388 5.334 1.693) 5.766 15.483 ( 9.082 -3.169 -1.163) 9.689 15.525 ( 9.033 0.233 -1.277) 9.126 15.903 ( 10.626 13.773 -15.163) 23.077 16.201 ( -0.503 -3.129 -0.064) 3.170 16.727 ( 14.386 12.095 0.658) 18.807 17.646 ( -0.692 -0.567 2.660) 2.807 19.083 ( -10.174 -8.830 2.005) 13.620 19.123 ( -6.477 -3.703 -1.155) 7.549 19.171 ( -0.426 1.288 -1.878) 2.317 19.515 ( -1.398 3.055 1.755) 3.791 20.129 ( -0.857 -4.118 1.293) 4.401 ======================= Grid point 535 (98/136) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.129 3.772 1.477) 4.053 2.434 ( -0.085 5.715 10.504) 11.959 2.990 ( 8.890 5.097 -4.426) 11.162 3.249 ( -2.482 -6.837 -4.234) 8.416 3.686 ( 2.815 -1.064 5.036) 5.867 4.207 ( 5.513 -2.259 2.962) 6.654 4.591 ( 17.893 11.511 5.268) 21.918 5.902 ( 4.491 -2.443 -1.512) 5.331 6.256 ( 5.566 8.026 -12.754) 16.064 8.016 ( -14.924 -7.013 6.885) 17.870 8.327 ( -11.402 -10.101 0.443) 15.239 8.596 ( -15.916 -1.830 -7.119) 17.531 8.700 ( -7.094 -8.612 -2.514) 11.438 9.729 ( 5.456 4.058 1.734) 7.017 10.579 ( 13.506 8.695 2.420) 16.245 15.293 ( -1.580 5.843 1.475) 6.230 15.565 ( 3.337 -7.372 -0.368) 8.100 15.679 ( 11.619 -0.879 3.057) 12.047 16.206 ( 7.186 9.583 -11.857) 16.854 16.265 ( 9.123 7.121 -5.701) 12.902 17.109 ( 13.522 13.220 5.295) 19.638 17.611 ( -2.314 -1.349 2.667) 3.780 18.703 ( -16.027 -12.312 -2.371) 20.349 18.998 ( -7.526 -1.950 -1.396) 7.899 19.216 ( 2.469 1.772 -1.987) 3.631 19.546 ( 1.014 3.076 0.935) 3.371 20.065 ( -0.863 -5.310 0.237) 5.385 ======================= Grid point 536 (99/136) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -3.011 0.603 -4.284) 5.271 2.534 ( 3.135 6.277 5.465) 8.893 3.118 ( -2.301 -2.811 -0.511) 3.668 3.192 ( 6.048 1.544 1.154) 6.347 3.662 ( -1.342 -3.233 2.645) 4.387 4.276 ( 3.997 -1.719 4.373) 6.169 5.106 ( 25.106 12.472 3.082) 28.202 5.946 ( 4.696 -5.105 -0.657) 6.967 6.418 ( 2.903 7.490 -11.914) 14.369 7.680 ( -13.884 -6.444 2.363) 15.488 8.028 ( -14.719 -5.887 3.733) 16.286 8.360 ( -6.837 -4.085 -7.250) 10.770 8.503 ( -7.248 -5.534 -2.325) 9.411 9.844 ( 3.632 3.077 1.733) 5.066 10.827 ( 7.298 5.495 3.449) 9.765 15.321 ( -2.410 6.513 1.295) 7.064 15.493 ( 0.131 -9.611 0.586) 9.630 15.895 ( 14.026 -2.024 6.718) 15.683 16.377 ( 7.230 2.545 -1.957) 7.910 16.549 ( 7.574 14.089 -16.580) 23.038 17.395 ( 4.558 10.442 13.512) 17.674 17.544 ( -3.596 -1.312 3.628) 5.274 18.349 ( -10.300 -10.333 -10.772) 18.136 18.842 ( -7.527 -1.796 -2.539) 8.144 19.282 ( 2.787 1.884 -2.191) 4.015 19.595 ( 1.118 2.381 0.126) 2.633 20.002 ( -0.197 -5.303 -0.012) 5.307 ======================= Grid point 537 (100/136) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -1.678 1.157 -6.596) 6.904 2.622 ( 1.499 2.300 2.507) 3.718 3.048 ( -2.275 -0.324 1.858) 2.955 3.296 ( 2.724 1.051 2.756) 4.015 3.618 ( 1.363 -4.702 1.051) 5.007 4.306 ( 1.417 -1.288 7.389) 7.633 5.603 ( 17.234 7.237 -0.936) 18.716 5.946 ( 2.622 -8.507 1.110) 8.971 6.455 ( -4.047 2.830 -10.694) 11.779 7.514 ( -0.700 1.120 -0.559) 1.434 7.725 ( -14.305 -0.969 2.941) 14.637 8.285 ( 1.607 -2.926 -4.582) 5.669 8.355 ( -4.838 -2.552 -2.296) 5.932 9.909 ( 0.949 1.733 1.676) 2.591 10.945 ( 1.900 2.504 3.946) 5.045 15.337 ( -4.529 8.593 1.332) 9.805 15.420 ( 3.835 -10.735 0.892) 11.434 16.078 ( 10.064 -5.797 9.019) 14.705 16.481 ( 3.698 -1.367 1.105) 4.094 16.756 ( -0.217 12.597 -19.383) 23.118 17.454 ( -2.751 2.228 8.757) 9.446 17.495 ( -3.608 4.582 13.894) 15.069 18.178 ( -0.531 -6.030 -14.900) 16.082 18.731 ( -3.795 0.273 -4.868) 6.178 19.336 ( 1.236 1.067 -2.371) 2.879 19.624 ( 0.019 1.421 -0.415) 1.481 19.961 ( 1.316 -4.491 0.148) 4.682 ======================= Grid point 544 (101/136) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 6.552 11.349 15.679) 20.434 2.112 ( 6.509 11.274 3.102) 13.382 3.032 ( 0.775 1.342 -3.990) 4.280 3.088 ( -1.095 -1.896 0.324) 2.214 3.531 ( 2.089 3.618 3.401) 5.386 4.169 ( -1.209 -2.093 3.305) 4.095 4.333 ( 0.651 1.127 1.822) 2.239 5.828 ( 0.274 0.474 -4.442) 4.476 6.068 ( 4.384 7.594 -11.971) 14.838 8.364 ( -4.703 -8.146 10.324) 13.966 8.689 ( -9.696 -16.793 2.661) 19.573 8.836 ( -6.220 -10.774 -10.574) 16.327 9.177 ( -0.551 -0.955 -1.236) 1.656 9.461 ( 0.307 0.531 0.519) 0.803 10.084 ( 12.893 22.332 0.968) 25.804 15.305 ( 0.548 0.949 0.238) 1.122 15.386 ( 0.628 1.088 -1.815) 2.207 15.446 ( 5.598 9.696 0.494) 11.207 15.881 ( 9.269 16.054 -15.496) 24.161 16.181 ( -2.263 -3.920 1.161) 4.673 16.665 ( 9.082 15.731 -1.397) 18.218 17.648 ( -0.303 -0.524 2.833) 2.897 19.112 ( -4.130 -7.154 1.605) 8.415 19.140 ( -0.746 -1.293 -2.320) 2.758 19.211 ( -3.923 -6.795 0.667) 7.874 19.556 ( 0.191 0.331 0.200) 0.431 20.111 ( -2.265 -3.924 3.369) 5.646 ======================= Grid point 545 (102/136) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -4.573 9.761 5.828) 12.254 2.404 ( 10.799 5.186 4.161) 12.682 2.990 ( -3.281 6.921 -2.791) 8.152 3.160 ( 5.261 -6.507 -4.162) 9.345 3.613 ( 5.124 2.816 7.884) 9.816 4.125 ( -0.009 -3.120 4.118) 5.166 4.481 ( 9.412 11.467 5.060) 15.674 5.836 ( 1.079 -1.256 -2.389) 2.906 6.241 ( 5.774 8.925 -12.740) 16.593 8.170 ( -10.398 -6.787 8.840) 15.243 8.330 ( -8.470 -19.424 1.788) 21.266 8.614 ( -6.395 -12.632 -10.923) 17.882 9.043 ( -17.073 7.756 -1.681) 18.827 9.541 ( 11.494 -7.256 1.275) 13.653 10.500 ( 11.405 17.306 1.594) 20.787 15.284 ( -0.208 -4.632 -1.984) 5.043 15.470 ( 6.052 2.967 4.952) 8.364 15.633 ( 2.416 10.269 1.227) 10.621 16.149 ( 3.000 -1.277 0.546) 3.305 16.220 ( 10.277 17.042 -17.820) 26.713 17.028 ( 12.708 17.354 0.685) 21.520 17.625 ( -1.236 -1.630 2.699) 3.387 18.801 ( -12.388 -17.005 0.767) 21.053 19.072 ( -4.377 -3.858 -2.809) 6.476 19.210 ( 1.269 2.580 -1.901) 3.447 19.568 ( 0.102 2.343 -0.329) 2.368 20.029 ( -1.609 -5.413 3.590) 6.691 ======================= Grid point 546 (103/136) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -5.925 4.718 -1.628) 7.747 2.595 ( 2.535 11.367 2.111) 11.836 3.062 ( 5.935 0.329 1.658) 6.171 3.123 ( -1.234 -4.648 -1.507) 5.040 3.693 ( -0.831 2.348 4.808) 5.414 4.142 ( 6.184 -4.212 5.612) 9.353 4.867 ( 18.452 15.648 5.663) 24.848 5.839 ( 2.169 -3.979 -0.289) 4.541 6.428 ( 5.007 8.699 -12.234) 15.824 7.824 ( -14.549 -14.262 1.394) 20.421 8.090 ( -4.852 -9.844 5.304) 12.189 8.381 ( -5.994 -10.477 -9.366) 15.278 8.800 ( -19.458 8.354 -1.691) 21.243 9.670 ( 12.036 -8.775 1.143) 14.938 10.804 ( 6.591 12.518 2.380) 14.346 15.219 ( 1.609 -10.219 -1.406) 10.440 15.611 ( 2.245 7.047 7.978) 10.879 15.730 ( 1.283 7.652 3.362) 8.456 16.259 ( 8.269 0.958 0.501) 8.340 16.562 ( 9.266 17.264 -19.381) 27.559 17.390 ( 9.334 13.993 7.047) 18.237 17.573 ( -2.285 -2.571 2.903) 4.501 18.416 ( -11.964 -15.593 -7.075) 20.888 18.925 ( -6.405 -5.641 -3.621) 9.271 19.272 ( 2.015 3.801 -2.037) 4.760 19.603 ( 0.771 2.506 -0.571) 2.683 19.954 ( -0.728 -5.465 3.634) 6.603 ======================= Grid point 547 (104/136) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -5.118 5.119 -5.677) 9.199 2.718 ( -2.532 12.948 0.903) 13.224 3.057 ( -0.613 -3.707 0.230) 3.764 3.166 ( 7.127 -4.217 2.921) 8.781 3.660 ( -4.680 3.303 5.032) 7.625 4.211 ( 5.872 -4.724 7.596) 10.700 5.362 ( 20.504 12.452 3.275) 24.211 5.827 ( 2.228 -6.637 1.330) 7.126 6.533 ( -1.444 2.964 -9.720) 10.264 7.508 ( -4.749 -10.715 -2.091) 11.905 7.891 ( -8.887 -6.270 -0.904) 10.914 8.254 ( -1.096 -1.893 -2.700) 3.475 8.565 ( -15.679 6.753 -1.814) 17.168 9.767 ( 9.787 -9.942 0.846) 13.977 10.979 ( 1.533 8.755 2.905) 9.351 15.150 ( 3.958 -12.555 -0.446) 13.172 15.652 ( -7.761 13.925 4.721) 16.626 15.878 ( 8.772 0.486 9.632) 13.037 16.393 ( 5.682 -0.100 2.010) 6.028 16.862 ( 5.075 16.293 -20.626) 26.770 17.498 ( -2.129 -1.676 4.473) 5.230 17.580 ( -0.537 5.303 15.230) 16.136 18.140 ( -4.124 -9.177 -16.630) 19.437 18.771 ( -4.022 -5.629 -5.736) 8.987 19.343 ( 1.177 4.110 -2.257) 4.834 19.634 ( 0.395 1.401 -0.972) 1.751 19.899 ( 0.382 -4.601 3.877) 6.029 ======================= Grid point 548 (105/136) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -3.588 6.214 -6.765) 9.862 2.761 ( -6.725 11.648 0.531) 13.460 3.033 ( 1.150 -1.992 0.546) 2.364 3.208 ( 4.699 -8.140 2.658) 9.767 3.632 ( -3.031 5.250 5.655) 8.291 4.238 ( 3.168 -5.488 8.873) 10.903 5.701 ( -0.519 0.900 -0.745) 1.278 5.758 ( 4.868 -8.432 4.419) 10.692 6.489 ( -0.354 0.613 -7.028) 7.063 7.449 ( 3.571 -6.184 -4.747) 8.575 7.747 ( -1.009 1.748 -3.560) 4.092 8.258 ( -1.536 2.661 0.640) 3.139 8.443 ( -5.149 8.919 -2.464) 10.589 9.803 ( 6.693 -11.593 0.709) 13.405 11.035 ( -3.312 5.737 3.075) 7.303 15.120 ( 6.834 -11.838 -0.052) 13.669 15.653 ( -8.707 15.082 3.977) 17.863 15.968 ( 2.829 -4.900 11.545) 12.857 16.440 ( 1.340 -2.320 3.324) 4.269 17.003 ( -6.389 11.066 -21.767) 25.240 17.474 ( -0.450 0.780 4.231) 4.325 17.561 ( -0.552 0.956 15.487) 15.526 18.076 ( 1.905 -3.299 -15.572) 16.031 18.704 ( 1.798 -3.115 -7.581) 8.391 19.377 ( -1.660 2.876 -2.393) 4.093 19.644 ( -0.301 0.521 -1.188) 1.332 19.879 ( 2.011 -3.483 4.068) 5.720 ======================= Grid point 557 (106/136) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -0.139 -0.240 2.463) 2.478 2.616 ( 7.870 13.631 -5.433) 16.651 3.032 ( -1.260 -2.183 6.135) 6.632 3.097 ( -0.095 -0.165 -3.030) 3.036 3.706 ( 3.297 5.710 5.924) 8.864 4.058 ( -1.694 -2.933 5.894) 6.798 4.786 ( 10.725 18.576 6.699) 22.472 5.799 ( -1.360 -2.355 -0.343) 2.741 6.427 ( 5.342 9.253 -12.224) 16.236 7.883 ( -12.718 -22.028 -0.065) 25.435 8.073 ( -3.185 -5.517 6.590) 9.166 8.382 ( -5.918 -10.251 -9.349) 15.083 9.143 ( -0.590 -1.022 -3.464) 3.660 9.388 ( -2.482 -4.299 2.459) 5.539 10.815 ( 7.871 13.633 2.023) 15.871 15.152 ( -4.231 -7.329 -1.696) 8.631 15.572 ( 3.938 6.821 9.315) 12.199 15.846 ( 5.081 8.800 3.515) 10.753 16.162 ( 2.024 3.506 0.495) 4.078 16.569 ( 10.104 17.501 -20.094) 28.498 17.375 ( 9.426 16.327 4.329) 19.343 17.579 ( -1.792 -3.105 2.784) 4.539 18.442 ( -10.441 -18.084 -5.789) 21.670 18.952 ( -4.685 -8.114 -4.222) 10.276 19.276 ( 2.328 4.032 -1.883) 5.022 19.611 ( 1.093 1.893 -1.152) 2.471 19.930 ( -2.473 -4.284 5.593) 7.467 ======================= Grid point 558 (107/136) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.317 4.359 -3.104) 6.296 2.854 ( 4.531 9.063 -6.448) 12.010 2.993 ( -0.675 -0.239 4.993) 5.044 3.097 ( 0.524 -0.129 2.554) 2.611 3.775 ( -2.459 5.183 5.934) 8.254 4.045 ( 5.252 -5.359 7.822) 10.839 5.191 ( 15.002 16.354 6.264) 23.060 5.751 ( -0.078 -4.366 1.808) 4.726 6.565 ( 1.142 3.338 -8.988) 9.656 7.485 ( -8.508 -16.224 -3.050) 18.572 7.937 ( -5.843 -8.544 -4.775) 11.399 8.268 ( -0.345 0.848 0.112) 0.923 8.960 ( -19.829 7.280 -2.255) 21.243 9.424 ( 13.691 -15.171 0.743) 20.449 11.032 ( 3.743 9.729 2.342) 10.685 15.018 ( -1.343 -9.096 -0.728) 9.224 15.727 ( 6.164 5.899 12.294) 14.965 15.941 ( -4.020 10.083 5.741) 12.280 16.288 ( 7.106 2.718 0.801) 7.650 16.904 ( 8.680 16.551 -20.651) 27.852 17.505 ( -2.270 -3.912 3.141) 5.507 17.618 ( 2.987 6.786 13.723) 15.598 18.136 ( -6.281 -10.298 -18.494) 22.080 18.769 ( -5.240 -9.867 -5.731) 12.556 19.364 ( 2.183 5.237 -1.990) 6.013 19.639 ( 0.397 0.965 -1.379) 1.730 19.862 ( -0.893 -3.569 6.648) 7.598 ======================= Grid point 559 (108/136) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -4.683 8.033 -4.937) 10.527 2.902 ( 5.275 -10.411 -2.250) 11.886 3.043 ( -6.465 17.098 -0.976) 18.306 3.109 ( 1.031 -0.802 4.563) 4.746 3.759 ( -4.320 5.649 7.860) 10.600 4.092 ( 6.085 -7.130 8.550) 12.688 5.552 ( 11.099 3.292 5.494) 12.815 5.734 ( 1.179 1.278 2.393) 2.958 6.484 ( -4.081 -8.549 -2.545) 9.809 7.348 ( 2.027 -3.093 -8.512) 9.281 7.746 ( -3.585 -8.599 -10.063) 13.714 8.357 ( 0.982 11.535 4.134) 12.292 8.698 ( -15.967 5.954 -1.900) 17.146 9.489 ( 11.992 -17.098 -0.159) 20.884 11.138 ( -0.776 6.652 2.488) 7.144 14.938 ( 2.379 -8.394 -0.175) 8.726 15.873 ( 3.261 5.705 12.476) 14.100 15.941 ( -5.583 6.852 8.611) 12.339 16.400 ( 2.593 1.546 2.182) 3.725 17.161 ( 2.131 12.728 -19.379) 23.282 17.459 ( 2.262 -1.728 2.425) 3.739 17.577 ( -5.429 -5.432 9.385) 12.127 18.062 ( -0.504 2.040 -15.831) 15.969 18.616 ( 0.164 -9.708 -8.298) 12.772 19.437 ( -0.282 5.072 -2.156) 5.518 19.645 ( 0.160 -0.444 -1.570) 1.640 19.828 ( 0.450 -2.503 7.189) 7.625 ======================= Grid point 565 (109/136) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -4.287 7.426 13.792) 16.240 2.366 ( -5.677 9.833 17.944) 21.234 2.766 ( 1.436 -2.488 -14.070) 14.360 3.404 ( -0.504 0.874 -8.911) 8.968 3.524 ( -6.685 11.579 11.166) 17.419 4.214 ( -0.589 1.020 0.671) 1.355 4.290 ( 1.208 -2.092 2.331) 3.357 5.849 ( -1.814 3.142 -2.537) 4.427 6.030 ( -2.666 4.618 -12.735) 13.806 8.359 ( 5.235 -9.067 10.651) 14.935 8.749 ( 5.465 -9.466 -5.946) 12.443 8.788 ( 10.303 -17.846 -2.543) 20.763 9.223 ( 1.209 -2.095 -4.188) 4.836 9.383 ( -1.340 2.321 4.469) 5.211 10.092 ( -12.115 20.984 0.751) 24.242 15.195 ( 0.887 -1.537 2.325) 2.925 15.518 ( -6.136 10.627 -0.666) 12.290 15.563 ( -5.353 9.272 -4.000) 11.429 15.730 ( -5.475 9.482 -13.577) 17.442 16.244 ( 1.900 -3.292 -1.744) 4.182 16.593 ( -7.869 13.629 1.882) 15.850 17.651 ( 0.226 -0.391 2.639) 2.678 19.118 ( 1.688 -2.924 -1.066) 3.540 19.154 ( -0.622 1.078 -1.824) 2.208 19.233 ( 8.405 -14.558 1.492) 16.876 19.470 ( 0.333 -0.577 3.804) 3.862 20.173 ( 0.330 -0.572 0.297) 0.724 ======================= Grid point 569 (110/136) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.262 5.651 -3.886) 7.595 2.771 ( -4.659 -8.070 -1.958) 9.522 3.101 ( 0.235 0.407 4.334) 4.360 3.216 ( 7.213 12.493 -1.955) 14.557 3.863 ( 1.298 2.248 7.305) 7.752 3.948 ( -1.826 -3.162 9.121) 9.824 5.465 ( 4.667 8.083 6.608) 11.436 5.726 ( 3.120 5.404 3.504) 7.156 6.474 ( -7.331 -12.698 -0.835) 14.686 7.317 ( 0.258 0.448 -10.071) 10.084 7.731 ( -6.385 -11.059 -11.473) 17.167 8.408 ( 6.816 11.805 4.050) 14.221 9.063 ( -1.986 -3.440 -5.254) 6.587 9.105 ( -5.736 -9.935 3.378) 11.959 11.180 ( 2.902 5.027 2.275) 6.235 14.875 ( -2.908 -5.036 -0.240) 5.820 15.856 ( 3.873 6.707 14.317) 16.277 16.049 ( 0.381 0.660 10.990) 11.017 16.386 ( 3.542 6.136 -0.340) 7.093 17.199 ( 7.171 12.421 -17.262) 22.443 17.418 ( -2.406 -4.167 3.445) 5.918 17.606 ( -3.475 -6.019 4.509) 8.285 18.090 ( 2.432 4.212 -17.826) 18.477 18.554 ( -6.310 -10.929 -7.038) 14.450 19.469 ( 2.846 4.929 -1.991) 6.030 19.638 ( -0.581 -1.007 -1.668) 2.033 19.812 ( -0.881 -1.527 8.269) 8.455 ======================= Grid point 570 (111/136) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -5.779 10.010 -3.641) 12.118 2.665 ( 6.727 -11.652 -2.360) 13.660 3.106 ( -0.054 0.094 4.744) 4.745 3.356 ( -6.433 11.142 -2.574) 13.120 3.854 ( -2.012 3.484 8.977) 9.837 3.941 ( 4.006 -6.938 8.411) 11.616 5.509 ( 1.590 -2.754 6.426) 7.170 5.896 ( -5.999 10.390 3.893) 12.614 6.244 ( 7.279 -12.608 2.687) 14.804 7.383 ( -2.769 4.796 -12.387) 13.569 7.574 ( 4.439 -7.688 -12.566) 15.385 8.636 ( -7.309 12.660 4.912) 15.422 8.805 ( -3.923 6.795 -1.372) 7.966 9.122 ( 10.757 -18.632 -1.662) 21.579 11.230 ( -1.370 2.374 2.240) 3.540 14.824 ( 1.682 -2.914 -0.078) 3.366 15.953 ( -1.833 3.175 14.678) 15.128 16.023 ( -0.247 0.427 13.119) 13.129 16.459 ( -1.782 3.086 0.012) 3.563 17.325 ( -2.315 4.010 -3.540) 5.829 17.402 ( 2.778 -4.812 6.820) 8.797 17.506 ( -0.408 0.706 -21.534) 21.550 18.170 ( -4.199 7.273 -9.910) 12.990 18.409 ( 5.743 -9.946 -8.693) 14.404 19.531 ( -2.293 3.971 -1.978) 4.994 19.616 ( 1.269 -2.199 -1.778) 3.099 19.798 ( 0.392 -0.679 8.746) 8.781 ======================= Grid point 576 (112/136) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -6.360 10.599 8.845) 15.200 2.343 ( 0.850 -7.572 10.877) 13.281 2.910 ( -7.613 8.680 -8.129) 14.120 3.358 ( 4.874 -1.975 -5.121) 7.340 3.710 ( -2.351 5.864 4.840) 7.959 4.238 ( -0.629 2.974 -1.030) 3.209 4.426 ( -12.425 12.289 6.863) 18.775 5.939 ( -2.374 6.581 -0.635) 7.025 6.132 ( -5.518 1.970 -13.726) 14.925 8.131 ( 10.353 -10.117 9.213) 17.159 8.403 ( 10.525 -20.533 -2.400) 23.198 8.569 ( 5.556 -8.444 -6.729) 12.143 9.045 ( 17.683 6.119 -2.228) 18.844 9.512 ( -13.071 -7.613 2.500) 15.332 10.483 ( -11.047 15.875 2.512) 19.503 15.170 ( -1.558 -5.122 2.585) 5.945 15.729 ( -4.226 13.724 0.839) 14.385 15.742 ( -0.010 14.211 -3.483) 14.632 15.978 ( -13.217 5.351 -14.739) 20.507 16.204 ( -2.050 -0.750 -1.119) 2.453 16.910 ( -12.925 11.026 5.691) 17.917 17.628 ( 1.444 -1.718 2.462) 3.331 18.876 ( 13.716 -14.598 -1.681) 20.101 19.018 ( 4.268 -6.673 0.049) 7.921 19.200 ( -1.638 2.755 -1.692) 3.625 19.492 ( -2.440 0.626 2.534) 3.573 20.145 ( 2.545 0.049 -1.901) 3.177 ======================= Grid point 588 (113/136) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 5.072 3.915 -0.422) 6.421 2.416 ( -10.109 3.954 7.983) 13.474 3.102 ( -6.427 5.150 -1.446) 8.362 3.220 ( 6.680 -4.067 -1.663) 7.996 3.740 ( 2.211 3.196 2.871) 4.832 4.280 ( -1.515 0.729 -0.661) 1.807 4.900 ( -20.446 20.336 4.446) 29.178 6.034 ( 0.167 7.728 -1.941) 7.970 6.266 ( -8.438 0.183 -11.686) 14.415 7.799 ( 14.100 -12.457 4.056) 19.247 8.038 ( 7.615 -21.160 1.091) 22.515 8.414 ( 5.255 -2.945 -5.637) 8.250 8.788 ( 18.289 5.849 -2.045) 19.310 9.647 ( -12.232 -9.543 2.137) 15.660 10.772 ( -6.988 10.802 4.016) 13.477 15.142 ( -3.255 -8.935 2.082) 9.735 15.791 ( 9.878 14.877 -1.572) 17.927 15.952 ( -4.750 15.441 3.021) 16.435 16.244 ( -12.463 2.925 -12.389) 17.815 16.349 ( -11.017 3.705 -4.594) 12.498 17.199 ( -11.003 3.034 13.244) 17.484 17.564 ( 2.868 -3.624 3.081) 5.554 18.514 ( 12.537 -10.146 -8.151) 18.071 18.858 ( 4.964 -8.375 -0.311) 9.741 19.266 ( -2.085 3.667 -1.973) 4.657 19.548 ( -2.780 0.728 1.415) 3.203 20.094 ( 3.626 0.822 -2.869) 4.696 ======================= Grid point 589 (114/136) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 2.598 -4.499 2.427) 5.734 2.283 ( -9.246 16.014 7.360) 19.903 3.069 ( -4.080 7.066 -2.064) 8.416 3.266 ( 3.910 -6.772 -1.877) 8.042 3.777 ( -1.043 1.806 3.254) 3.866 4.264 ( -0.124 0.215 -3.632) 3.640 4.824 ( -14.365 24.882 5.510) 29.255 6.099 ( -4.968 8.605 2.011) 10.138 6.165 ( -0.998 1.729 -15.733) 15.859 7.900 ( 7.811 -13.529 8.001) 17.552 7.952 ( 13.115 -22.715 -3.491) 26.461 8.450 ( 2.419 -4.190 -6.097) 7.783 9.090 ( 2.440 -4.225 -1.595) 5.133 9.377 ( 1.646 -2.850 2.966) 4.431 10.770 ( -7.181 12.438 4.257) 14.979 15.067 ( 2.933 -5.080 2.133) 6.242 16.005 ( -7.676 13.295 2.215) 15.511 16.038 ( -7.501 12.992 -3.722) 15.457 16.120 ( -4.976 8.618 -13.194) 16.526 16.203 ( -1.866 3.231 -1.951) 4.210 17.114 ( -4.756 8.237 13.208) 16.277 17.571 ( 2.415 -4.184 2.871) 5.620 18.572 ( 8.418 -14.581 -7.572) 18.461 18.857 ( 5.252 -9.097 0.470) 10.515 19.269 ( -2.342 4.057 -1.892) 5.052 19.525 ( -1.265 2.191 2.078) 3.274 20.131 ( 0.773 -1.339 -3.892) 4.188 ======================= Grid point 600 (115/136) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.976 3.785 -3.967) 6.773 2.625 ( -4.684 9.607 4.498) 11.595 3.062 ( 4.969 -5.396 1.035) 7.408 3.235 ( -4.346 1.097 0.090) 4.484 3.742 ( 2.808 6.758 1.390) 7.449 4.293 ( -1.105 -2.463 3.306) 4.269 5.447 ( -18.864 17.787 0.014) 25.928 6.082 ( 2.396 6.415 -3.487) 7.684 6.378 ( -3.867 -2.541 -9.545) 10.607 7.482 ( 5.887 -11.022 1.048) 12.539 7.714 ( 7.095 -18.167 2.820) 19.706 8.345 ( 2.731 3.118 -3.325) 5.314 8.555 ( 14.465 5.042 -2.631) 15.543 9.738 ( -10.114 -11.190 2.127) 15.233 10.940 ( -2.399 6.870 4.888) 8.766 15.108 ( -4.750 -11.179 1.413) 12.228 15.757 ( 11.521 16.804 -0.227) 20.375 16.183 ( -3.460 14.938 6.038) 16.479 16.455 ( -7.924 2.914 -7.485) 11.283 16.554 ( -8.124 1.129 -10.481) 13.309 17.324 ( -5.964 -5.840 18.643) 20.426 17.464 ( 2.952 -5.778 5.413) 8.450 18.286 ( 6.346 -2.182 -13.811) 15.355 18.706 ( 2.447 -7.834 -2.439) 8.562 19.335 ( -1.223 3.674 -2.091) 4.401 19.592 ( -1.816 -0.165 0.585) 1.915 20.046 ( 3.229 1.857 -2.926) 4.737 ======================= Grid point 601 (116/136) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.429 4.146 -1.159) 5.504 2.604 ( -9.413 11.929 4.719) 15.911 3.117 ( 5.918 -4.508 -0.046) 7.440 3.193 ( -3.626 4.118 -1.329) 5.645 3.813 ( -0.663 3.797 4.115) 5.638 4.247 ( 0.305 -3.770 -1.678) 4.138 5.338 ( -16.508 22.625 1.037) 28.027 6.164 ( 1.522 3.210 -12.403) 12.901 6.289 ( -6.250 3.682 -1.382) 7.384 7.503 ( 12.260 -17.720 -2.457) 21.687 7.642 ( 6.015 -16.691 4.867) 18.397 8.409 ( 0.927 2.197 -3.720) 4.419 8.894 ( 16.986 4.285 -0.391) 17.523 9.401 ( -11.476 -14.010 2.007) 18.221 10.969 ( -3.735 8.422 5.481) 10.720 14.975 ( 0.263 -7.394 1.239) 7.502 16.115 ( 9.701 16.742 -1.195) 19.386 16.255 ( -4.769 14.242 2.245) 15.186 16.331 ( -9.499 5.963 -8.876) 14.303 16.412 ( -13.120 2.803 -6.484) 14.900 17.199 ( -2.126 -3.295 20.356) 20.730 17.460 ( 3.910 -6.957 4.535) 9.179 18.345 ( 5.155 -5.975 -13.266) 15.436 18.676 ( 4.400 -9.528 -1.115) 10.554 19.353 ( -1.943 4.853 -1.875) 5.554 19.565 ( -1.388 0.755 1.371) 2.092 20.099 ( 1.777 -0.204 -4.525) 4.866 ======================= Grid point 610 (117/136) ======================= q-point: (-0.45 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.873 4.976 -4.949) 7.583 2.728 ( 5.583 9.670 2.303) 11.401 2.976 ( -3.156 -5.466 3.161) 7.059 3.276 ( -0.861 -1.491 0.022) 1.721 3.760 ( 4.746 8.221 -0.233) 9.496 4.286 ( -2.113 -3.659 6.142) 7.455 5.762 ( 2.386 4.132 -3.341) 5.825 6.082 ( 3.854 6.675 -1.350) 7.825 6.358 ( -2.231 -3.864 -10.095) 11.037 7.436 ( -4.994 -8.649 -2.825) 10.379 7.492 ( -4.502 -7.799 6.456) 11.080 8.366 ( 3.323 5.756 0.040) 6.647 8.424 ( 4.549 7.880 -5.291) 10.526 9.770 ( -7.436 -12.879 2.142) 15.025 10.994 ( 2.221 3.847 5.157) 6.806 15.092 ( -6.429 -11.136 1.135) 12.908 15.740 ( 10.531 18.241 0.230) 21.064 16.305 ( 5.945 10.298 7.380) 13.995 16.545 ( 1.358 2.352 -0.922) 2.868 16.624 ( -3.521 -6.098 -16.508) 17.947 17.354 ( -4.546 -7.873 15.936) 18.347 17.380 ( -2.564 -4.441 8.612) 10.023 18.229 ( 1.375 2.382 -13.719) 13.992 18.642 ( -2.974 -5.152 -4.152) 7.254 19.366 ( 1.373 2.377 -2.114) 3.465 19.606 ( -0.610 -1.057 0.239) 1.243 20.026 ( 1.722 2.982 -2.804) 4.441 ======================= Grid point 612 (118/136) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 4.295 8.667 -2.654) 10.030 2.799 ( -6.827 -2.037 2.703) 7.619 3.005 ( 8.661 8.934 1.422) 12.524 3.264 ( -1.000 1.691 -2.210) 2.957 3.882 ( -0.311 6.390 2.150) 6.749 4.186 ( -1.133 -8.083 3.224) 8.776 5.784 ( -9.970 15.616 -2.440) 18.687 6.165 ( 0.665 1.072 -13.884) 13.942 6.337 ( 2.601 -1.218 -0.786) 2.978 7.253 ( -1.727 -10.969 -2.447) 11.370 7.397 ( 3.646 -12.840 4.968) 14.242 8.465 ( -0.780 8.601 -0.475) 8.649 8.659 ( 14.380 5.130 -1.774) 15.371 9.447 ( -11.300 -16.994 1.911) 20.497 11.067 ( 0.250 5.338 6.051) 8.073 14.919 ( -2.607 -7.518 0.642) 7.983 16.110 ( 10.604 17.986 -0.474) 20.885 16.455 ( -1.443 11.394 5.511) 12.738 16.507 ( -6.053 2.968 -10.822) 12.750 16.585 ( -2.017 1.457 -6.296) 6.770 17.180 ( -4.883 -7.883 18.883) 21.037 17.313 ( 2.629 -9.221 8.387) 12.739 18.269 ( 1.566 0.410 -13.002) 13.102 18.544 ( -0.179 -8.026 -3.897) 8.924 19.418 ( 0.296 4.401 -1.640) 4.705 19.584 ( -0.839 -0.724 0.683) 1.302 20.074 ( 1.394 0.948 -4.446) 4.755 ======================= Grid point 613 (119/136) ======================= q-point: (-0.27 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -3.782 6.551 -1.274) 7.671 2.701 ( 2.125 -3.681 1.442) 4.488 3.163 ( -5.230 9.059 0.869) 10.497 3.263 ( -1.561 2.704 -2.659) 4.101 3.886 ( -2.182 3.779 5.546) 7.057 4.138 ( 4.033 -6.986 0.112) 8.068 5.770 ( -11.620 20.126 -2.006) 23.326 6.167 ( 0.625 -1.082 -18.768) 18.809 6.364 ( -0.220 0.381 3.083) 3.114 7.183 ( 6.381 -11.053 -3.367) 13.199 7.363 ( 6.924 -11.993 4.977) 14.716 8.502 ( -4.068 7.045 -0.725) 8.167 8.917 ( 2.346 -4.063 0.673) 4.740 9.155 ( 4.616 -7.995 0.877) 9.274 11.097 ( -2.518 4.362 6.370) 8.120 14.859 ( 2.370 -4.105 0.489) 4.765 16.381 ( -3.913 6.778 0.292) 7.832 16.474 ( -3.670 6.356 -11.486) 13.630 16.481 ( -4.531 7.848 -6.222) 10.993 16.509 ( -6.029 10.442 3.531) 12.564 17.090 ( 3.475 -6.019 21.549) 22.642 17.289 ( 5.726 -9.918 7.612) 13.751 18.286 ( 0.173 -0.300 -12.867) 12.872 18.498 ( 4.452 -7.710 -3.725) 9.651 19.446 ( -2.390 4.140 -1.390) 4.978 19.571 ( 0.179 -0.309 0.819) 0.893 20.091 ( 0.280 -0.485 -4.960) 4.992 ======================= Grid point 624 (120/136) ======================= q-point: (-0.36 0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 5.980 10.358 -1.193) 12.020 2.619 ( -6.187 -10.716 0.594) 12.389 3.288 ( 6.890 11.933 0.355) 13.784 3.291 ( 0.471 0.817 -3.353) 3.483 3.970 ( 0.707 1.224 3.072) 3.381 4.008 ( -3.870 -6.702 4.569) 8.987 6.051 ( 5.892 10.205 -2.574) 12.061 6.151 ( -0.543 -0.941 -20.128) 20.157 6.291 ( -2.456 -4.253 0.865) 4.987 7.113 ( -1.295 -2.243 -0.658) 2.672 7.203 ( -3.734 -6.467 4.001) 8.472 8.635 ( 3.125 5.412 3.684) 7.254 8.786 ( 5.671 9.823 -2.211) 11.556 9.101 ( -9.587 -16.605 0.579) 19.182 11.140 ( 1.102 1.909 6.655) 7.011 14.817 ( -1.517 -2.627 0.207) 3.040 16.427 ( 6.847 11.859 -1.869) 13.820 16.557 ( 1.380 2.390 -9.213) 9.617 16.587 ( -0.250 -0.433 -8.010) 8.025 16.629 ( 2.018 3.495 4.986) 6.415 17.049 ( -2.399 -4.155 17.500) 18.146 17.131 ( -4.109 -7.117 12.680) 15.110 18.300 ( 1.426 2.470 -10.236) 10.626 18.405 ( -3.127 -5.416 -6.346) 8.909 19.497 ( 1.829 3.169 -0.852) 3.757 19.560 ( -0.933 -1.616 0.225) 1.879 20.085 ( 0.142 0.247 -4.953) 4.961 ======================= Grid point 665 (121/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 -0.000 0.000) 0.000 3.368 ( -0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.367 ( -0.000 -0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 -0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 -0.000 -0.000) 0.000 9.207 ( 0.000 -0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 -0.000 0.000) 0.000 9.313 ( 0.000 -0.000 0.000) 0.000 15.281 ( -0.000 0.000 0.000) 0.000 15.281 ( 0.000 -0.000 0.000) 0.000 15.318 ( 0.000 -0.000 0.000) 0.000 15.318 ( 0.000 -0.000 0.000) 0.000 16.307 ( 0.000 0.000 0.000) 0.000 16.307 ( 0.000 -0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 19.113 ( 0.000 -0.000 0.000) 0.000 19.120 ( 0.000 -0.000 -0.000) 0.000 19.566 ( 0.000 -0.000 0.000) 0.000 19.566 ( -0.000 0.000 0.000) 0.000 20.226 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 667 (122/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 2.968 1.714 0.000) 3.427 2.124 ( 16.875 9.743 0.000) 19.486 2.954 ( -11.437 -6.603 0.000) 13.206 3.163 ( 2.374 1.371 0.000) 2.742 3.505 ( 8.099 4.676 0.000) 9.352 4.235 ( -0.954 -0.551 0.000) 1.102 4.328 ( -2.213 -1.278 0.000) 2.555 5.797 ( 2.104 1.215 -0.000) 2.429 5.807 ( 3.195 1.844 0.000) 3.689 8.637 ( -4.609 -2.661 0.000) 5.322 8.855 ( -14.973 -8.644 0.000) 17.289 9.075 ( -7.643 -4.413 0.000) 8.825 9.101 ( -8.199 -4.733 0.000) 9.467 9.438 ( 7.019 4.052 0.000) 8.104 9.711 ( 21.570 12.454 0.000) 24.907 15.278 ( 0.207 0.119 0.000) 0.239 15.332 ( 4.334 2.502 0.000) 5.004 15.394 ( 6.257 3.613 0.000) 7.225 15.425 ( 8.469 4.889 0.000) 9.779 16.269 ( -2.979 -1.720 0.000) 3.440 16.419 ( 9.637 5.564 0.000) 11.128 17.685 ( -0.061 -0.035 0.000) 0.070 19.119 ( 0.323 0.186 0.000) 0.373 19.124 ( 0.269 0.155 0.000) 0.311 19.449 ( -9.976 -5.759 0.000) 11.519 19.551 ( -1.091 -0.630 0.000) 1.259 20.203 ( -1.951 -1.126 0.000) 2.252 ======================= Grid point 669 (123/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.184 1.838 0.000) 3.677 2.562 ( 19.081 11.016 0.000) 22.032 2.693 ( -9.990 -5.768 -0.000) 11.535 3.212 ( 1.036 0.598 -0.000) 1.196 3.674 ( 5.823 3.362 0.000) 6.724 4.214 ( -0.375 -0.216 0.000) 0.433 4.351 ( 6.208 3.584 0.000) 7.169 5.855 ( 2.712 1.566 0.000) 3.132 5.917 ( 6.371 3.679 0.000) 7.357 8.500 ( -16.391 -9.463 0.000) 18.926 8.501 ( -6.699 -3.868 -0.000) 7.736 8.841 ( -13.899 -8.024 0.000) 16.049 8.886 ( -8.746 -5.049 0.000) 10.099 9.599 ( 6.857 3.959 0.000) 7.918 10.202 ( 20.167 11.644 0.000) 23.287 15.290 ( 0.801 0.463 0.000) 0.925 15.466 ( 6.573 3.795 0.000) 7.590 15.572 ( 8.449 4.878 0.000) 9.757 15.674 ( 12.429 7.176 0.000) 14.352 16.202 ( -1.693 -0.977 0.000) 1.955 16.734 ( 17.197 9.929 0.000) 19.857 17.676 ( -0.854 -0.493 0.000) 0.987 19.093 ( -2.906 -1.678 0.000) 3.355 19.127 ( -17.456 -10.078 0.000) 20.156 19.147 ( 1.592 0.919 0.000) 1.838 19.534 ( 0.029 0.017 0.000) 0.034 20.143 ( -3.110 -1.796 0.000) 3.591 ======================= Grid point 671 (124/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -2.376 -1.372 0.000) 2.744 2.559 ( -1.051 -0.607 0.000) 1.214 2.941 ( 13.468 7.776 0.000) 15.552 3.191 ( -2.437 -1.407 0.000) 2.814 3.740 ( -0.239 -0.138 0.000) 0.276 4.241 ( 2.891 1.669 0.000) 3.339 4.648 ( 18.796 10.852 0.000) 21.704 5.914 ( 2.319 1.339 0.000) 2.677 6.090 ( 8.309 4.797 0.000) 9.594 8.098 ( -18.212 -10.515 0.000) 21.030 8.352 ( -5.808 -3.353 0.000) 6.706 8.486 ( -16.557 -9.559 0.000) 19.119 8.680 ( -9.084 -5.244 0.000) 10.489 9.747 ( 5.871 3.390 0.000) 6.779 10.604 ( 14.462 8.350 0.000) 16.699 15.312 ( 1.099 0.635 0.000) 1.269 15.558 ( 0.008 0.004 0.000) 0.009 15.784 ( 10.859 6.269 0.000) 12.538 15.965 ( 12.344 7.127 0.000) 14.254 16.245 ( 5.596 3.231 0.000) 6.461 17.165 ( 19.191 11.080 0.000) 22.160 17.642 ( -2.121 -1.224 0.000) 2.449 18.679 ( -20.805 -12.012 0.000) 24.023 18.981 ( -6.591 -3.806 0.000) 7.611 19.195 ( 2.549 1.471 0.000) 2.943 19.557 ( 1.714 0.990 0.000) 1.979 20.068 ( -3.253 -1.878 0.000) 3.757 ======================= Grid point 673 (125/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -3.643 -2.103 0.000) 4.207 2.598 ( 2.875 1.660 0.000) 3.320 3.109 ( -1.849 -1.068 0.000) 2.136 3.203 ( 7.163 4.136 0.000) 8.271 3.691 ( -3.119 -1.801 0.000) 3.602 4.324 ( 3.599 2.078 0.000) 4.155 5.142 ( 22.529 13.007 0.000) 26.014 5.959 ( 1.578 0.911 0.000) 1.823 6.267 ( 6.006 3.467 0.000) 6.935 7.704 ( -14.676 -8.473 0.000) 16.946 8.100 ( -16.568 -9.566 0.000) 19.131 8.251 ( -2.736 -1.579 0.000) 3.159 8.481 ( -7.917 -4.571 0.000) 9.141 9.862 ( 4.024 2.323 0.000) 4.647 10.863 ( 8.204 4.736 0.000) 9.473 15.337 ( 0.949 0.548 0.000) 1.096 15.499 ( -3.750 -2.165 0.000) 4.331 16.065 ( 12.908 7.453 -0.000) 14.905 16.219 ( 9.394 5.423 0.000) 10.847 16.406 ( 6.934 4.004 0.000) 8.007 17.566 ( 14.849 8.573 0.000) 17.146 17.583 ( -2.746 -1.586 0.000) 3.171 18.211 ( -18.919 -10.923 0.000) 21.846 18.813 ( -7.414 -4.281 0.000) 8.561 19.259 ( 2.811 1.623 0.000) 3.246 19.597 ( 1.524 0.880 0.000) 1.760 20.001 ( -2.419 -1.397 0.000) 2.793 ======================= Grid point 675 (126/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -1.233 -0.712 0.000) 1.424 2.650 ( 1.274 0.736 0.000) 1.471 3.067 ( -1.086 -0.627 0.000) 1.254 3.325 ( 2.800 1.617 0.000) 3.234 3.631 ( -1.543 -0.891 0.000) 1.781 4.385 ( 1.441 0.832 0.000) 1.664 5.593 ( 13.754 7.941 0.000) 15.882 5.984 ( 0.574 0.331 0.000) 0.662 6.311 ( -1.964 -1.134 0.000) 2.268 7.508 ( -1.589 -0.917 0.000) 1.835 7.765 ( -10.950 -6.322 0.000) 12.644 8.231 ( 0.754 0.435 0.000) 0.871 8.332 ( -4.600 -2.656 0.000) 5.312 9.926 ( 1.440 0.831 0.000) 1.663 10.986 ( 2.620 1.513 0.000) 3.025 15.353 ( 0.374 0.216 0.000) 0.432 15.430 ( -1.748 -1.009 0.000) 2.019 16.331 ( 8.613 4.973 -0.000) 9.946 16.374 ( 3.624 2.093 0.000) 4.185 16.505 ( 1.011 0.584 0.000) 1.168 17.533 ( -1.239 -0.715 0.000) 1.430 17.813 ( 5.905 3.409 -0.000) 6.818 17.873 ( -8.847 -5.108 0.000) 10.216 18.675 ( -3.705 -2.139 0.000) 4.278 19.311 ( 1.341 0.774 0.000) 1.549 19.620 ( 0.482 0.278 0.000) 0.557 19.962 ( -0.889 -0.513 0.000) 1.026 ======================= Grid point 689 (127/136) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 3.970 6.876 -9.485) 12.369 2.391 ( 7.194 12.461 14.826) 20.660 2.786 ( -3.673 -6.362 -15.350) 17.017 3.202 ( 1.211 2.097 9.260) 9.572 3.632 ( 3.789 6.562 1.538) 7.732 4.214 ( -0.763 -1.322 0.961) 1.804 4.326 ( 1.830 3.169 -1.554) 3.976 5.836 ( 1.423 2.465 5.264) 5.984 5.882 ( 3.307 5.729 -5.566) 8.645 8.542 ( -3.673 -6.362 1.006) 7.414 8.637 ( -7.825 -13.554 -3.065) 15.948 8.739 ( -10.236 -17.730 2.270) 20.598 9.171 ( -0.828 -1.435 0.888) 1.880 9.448 ( 0.915 1.584 -1.818) 2.579 10.098 ( 12.818 22.201 0.231) 25.637 15.260 ( -0.686 -1.189 -3.614) 3.866 15.477 ( 3.998 6.925 9.647) 12.529 15.485 ( 5.688 9.852 3.024) 11.771 15.614 ( 7.267 12.586 -9.293) 17.250 16.212 ( -1.965 -3.404 1.552) 4.226 16.633 ( 8.925 15.458 -1.806) 17.941 17.680 ( -0.340 -0.589 0.067) 0.683 19.109 ( -1.076 -1.865 -0.464) 2.202 19.129 ( -0.378 -0.655 0.660) 1.005 19.238 ( -7.983 -13.827 0.958) 15.994 19.535 ( -0.327 -0.566 -2.217) 2.311 20.162 ( -1.656 -2.869 1.476) 3.626 ======================= Grid point 691 (128/136) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -4.046 10.258 -5.330) 12.247 2.453 ( 5.836 -10.090 0.662) 11.675 2.876 ( 6.280 12.100 -5.292) 14.623 3.216 ( -1.261 -0.392 7.296) 7.415 3.732 ( 2.367 2.493 2.731) 4.391 4.198 ( 1.092 -1.318 2.749) 3.238 4.519 ( 11.074 13.720 -1.546) 17.699 5.884 ( 1.850 1.074 6.556) 6.896 6.031 ( 5.996 7.616 -6.546) 11.697 8.278 ( -16.932 -13.585 -1.212) 21.742 8.406 ( -4.880 -6.272 -0.942) 8.002 8.426 ( -4.478 -20.317 1.867) 20.888 9.022 ( -17.131 6.875 -0.068) 18.459 9.547 ( 11.849 -7.111 -0.719) 13.838 10.514 ( 11.646 17.178 -0.389) 20.758 15.231 ( 0.878 -5.229 -3.009) 6.097 15.637 ( 4.667 10.138 9.018) 14.348 15.694 ( 5.079 9.406 5.573) 12.055 15.895 ( 9.255 13.939 -11.267) 20.172 16.178 ( 2.472 -1.178 1.346) 3.051 17.003 ( 14.548 16.208 -3.057) 21.993 17.656 ( -1.287 -1.630 0.045) 2.078 18.836 ( -14.730 -18.136 2.122) 23.461 19.029 ( -4.349 -5.221 -1.256) 6.910 19.186 ( 1.287 2.640 -0.292) 2.952 19.543 ( 1.057 1.052 -2.026) 2.515 20.096 ( -2.511 -2.772 2.812) 4.679 ======================= Grid point 693 (129/136) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.753 3.579 -1.699) 9.607 2.560 ( 7.164 3.743 -5.132) 9.574 3.084 ( 6.738 5.140 0.378) 8.484 3.155 ( -3.040 -2.826 3.905) 5.699 3.758 ( -2.249 2.802 1.199) 3.787 4.239 ( 5.145 -1.818 3.400) 6.429 4.940 ( 18.021 17.557 0.885) 25.175 5.919 ( 2.106 -0.959 7.398) 7.751 6.221 ( 6.220 8.057 -6.459) 12.055 7.838 ( -15.475 -16.274 -0.104) 22.457 8.119 ( -7.135 -19.226 -4.725) 21.045 8.301 ( -3.594 -1.191 3.811) 5.372 8.773 ( -19.112 7.407 -0.528) 20.504 9.676 ( 12.067 -9.274 -0.554) 15.229 10.822 ( 7.115 12.101 -0.751) 14.058 15.185 ( 2.552 -9.678 -1.946) 10.196 15.739 ( -7.574 14.342 3.689) 16.633 15.899 ( 11.124 5.828 11.912) 17.309 16.183 ( 7.831 13.232 -11.447) 19.169 16.301 ( 9.475 3.036 0.134) 9.951 17.408 ( 14.595 12.436 -5.624) 19.982 17.603 ( -2.206 -2.791 -0.238) 3.566 18.381 ( -16.488 -17.109 3.500) 24.017 18.868 ( -6.193 -7.598 -1.620) 9.935 19.248 ( 1.929 3.744 -0.203) 4.217 19.581 ( 1.546 1.323 -1.502) 2.529 20.028 ( -2.446 -2.034 3.433) 4.680 ======================= Grid point 695 (130/136) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -6.003 4.810 -1.482) 7.834 2.702 ( 0.804 9.571 -2.499) 9.924 3.065 ( -1.815 -4.291 0.437) 4.680 3.217 ( 5.793 -1.717 1.773) 6.297 3.736 ( -4.581 5.986 2.063) 7.815 4.311 ( 5.319 -3.255 1.900) 6.519 5.426 ( 17.664 14.742 2.235) 23.116 5.936 ( 2.127 -3.142 8.478) 9.288 6.354 ( 0.031 4.585 -5.946) 7.509 7.489 ( -5.629 -13.052 -0.160) 14.215 7.811 ( -7.749 -15.228 -5.538) 17.961 8.273 ( -1.364 4.386 3.232) 5.617 8.535 ( -15.714 6.072 -0.633) 16.858 9.768 ( 10.010 -10.812 -0.725) 14.752 11.000 ( 2.096 8.063 -0.906) 8.380 15.135 ( 4.489 -12.017 -1.034) 12.870 15.728 ( -10.284 16.246 2.544) 19.395 16.146 ( 11.116 2.592 14.921) 18.786 16.405 ( 5.306 7.900 -5.845) 11.168 16.493 ( 4.671 7.842 -7.639) 11.903 17.536 ( -1.561 -3.294 -1.120) 3.813 17.699 ( 8.027 2.158 -14.327) 16.564 17.991 ( -10.507 -8.350 12.028) 18.022 18.692 ( -4.371 -7.840 -1.518) 9.104 19.316 ( 1.077 3.970 -0.262) 4.122 19.612 ( 0.877 0.450 -1.145) 1.511 19.977 ( -1.548 -0.927 3.582) 4.011 ======================= Grid point 697 (131/136) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -3.803 6.588 -1.279) 7.714 2.760 ( -5.790 10.029 -0.738) 11.604 3.023 ( 2.659 -4.605 -1.401) 5.499 3.257 ( 2.916 -5.051 1.787) 6.100 3.727 ( -4.554 7.888 3.107) 9.624 4.342 ( 2.876 -4.982 1.028) 5.843 5.709 ( -1.833 3.174 1.575) 3.989 5.929 ( 2.838 -4.916 10.796) 12.197 6.336 ( -1.894 3.281 -6.013) 7.107 7.405 ( 5.054 -8.753 0.039) 10.107 7.632 ( 3.169 -5.489 -6.727) 9.243 8.320 ( -4.257 7.374 4.497) 9.629 8.392 ( -4.541 7.865 -2.169) 9.337 9.801 ( 7.205 -12.480 -0.823) 14.434 11.058 ( -2.831 4.903 -0.945) 5.740 15.112 ( 6.758 -11.705 -0.693) 13.533 15.720 ( -9.992 17.306 2.221) 20.106 16.268 ( 2.317 -4.012 16.676) 17.308 16.500 ( 0.354 -0.612 2.730) 2.820 16.575 ( -5.732 9.929 -17.890) 21.248 17.504 ( 1.251 -2.167 -2.346) 3.429 17.697 ( 4.608 -7.981 -14.836) 17.465 17.928 ( -2.363 4.092 13.456) 14.262 18.605 ( 2.664 -4.614 -1.354) 5.497 19.348 ( -1.601 2.774 -0.317) 3.219 19.621 ( 0.160 -0.278 -1.011) 1.061 19.959 ( -0.088 0.153 3.590) 3.594 ======================= Grid point 715 (132/136) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -3.277 -5.677 -0.859) 6.611 2.455 ( 7.686 13.313 -8.739) 17.682 3.056 ( 3.711 6.427 -0.777) 7.462 3.177 ( -2.207 -3.823 6.385) 7.762 3.791 ( 1.983 3.435 1.913) 4.404 4.174 ( -0.419 -0.727 5.032) 5.101 4.873 ( 12.041 20.855 1.071) 24.106 5.893 ( -0.106 -0.184 9.372) 9.374 6.208 ( 5.624 9.741 -8.273) 13.963 7.900 ( -13.263 -22.971 1.606) 26.574 8.071 ( -8.520 -14.757 -7.288) 18.533 8.329 ( -1.398 -2.421 4.658) 5.433 9.089 ( -1.476 -2.557 -1.446) 3.288 9.410 ( -2.109 -3.653 -0.300) 4.229 10.826 ( 7.825 13.553 -1.045) 15.684 15.113 ( -3.567 -6.178 -2.137) 7.447 15.819 ( 5.562 9.633 14.038) 17.911 15.936 ( 6.547 11.339 4.846) 13.962 16.179 ( 1.513 2.620 1.025) 3.194 16.195 ( 8.967 15.532 -14.503) 23.065 17.340 ( 9.615 16.654 -7.421) 20.613 17.608 ( -1.895 -3.282 -0.249) 3.798 18.437 ( -12.154 -21.052 4.409) 24.705 18.883 ( -5.288 -9.159 -2.245) 10.811 19.253 ( 2.305 3.992 -0.231) 4.615 19.574 ( 1.022 1.771 -2.293) 3.072 20.039 ( -1.594 -2.761 4.866) 5.817 ======================= Grid point 717 (133/136) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -4.886 3.882 -1.911) 6.526 2.719 ( 7.732 9.004 -6.222) 13.400 3.082 ( -4.128 -2.460 3.221) 5.785 3.153 ( 2.694 2.432 2.477) 4.395 3.849 ( -0.836 5.488 0.917) 5.626 4.179 ( 3.608 -3.978 4.909) 7.276 5.309 ( 14.634 18.896 4.038) 24.239 5.880 ( 0.423 -2.577 10.922) 11.229 6.384 ( 3.344 7.218 -7.570) 10.982 7.464 ( -10.469 -19.474 0.733) 22.122 7.785 ( -7.487 -14.857 -8.085) 18.497 8.328 ( 0.566 4.268 4.066) 5.922 8.911 ( -18.100 5.911 -1.916) 19.137 9.427 ( 12.030 -14.722 -0.484) 19.018 11.041 ( 3.907 9.388 -1.483) 10.276 15.000 ( -0.785 -8.336 -1.064) 8.440 16.017 ( 3.991 9.372 13.973) 17.292 16.059 ( -3.161 13.386 6.035) 15.020 16.319 ( 9.726 2.016 2.307) 10.197 16.498 ( 8.189 14.557 -16.232) 23.291 17.528 ( -2.414 -4.716 -1.268) 5.447 17.610 ( 6.053 5.432 -17.436) 19.240 18.057 ( -9.181 -12.566 12.754) 20.121 18.683 ( -5.693 -10.696 -2.224) 12.319 19.338 ( 2.026 5.120 -0.341) 5.517 19.602 ( 0.720 0.640 -1.988) 2.209 19.991 ( -1.372 -1.531 5.755) 6.111 ======================= Grid point 719 (134/136) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -5.307 9.138 -1.445) 10.666 2.853 ( 6.174 -6.339 -2.493) 9.193 3.027 ( -7.319 11.829 -0.727) 13.929 3.200 ( 1.252 0.107 3.868) 4.067 3.875 ( -3.109 6.826 2.992) 8.075 4.202 ( 5.176 -7.411 2.037) 9.267 5.704 ( 10.635 12.356 6.138) 17.419 5.856 ( -0.240 -3.542 11.444) 11.983 6.404 ( -3.806 -1.104 -4.579) 6.056 7.241 ( 1.884 -9.318 -1.869) 9.689 7.545 ( -3.081 -11.705 -8.803) 14.966 8.435 ( 2.265 11.815 2.871) 12.368 8.655 ( -16.873 5.278 -1.492) 17.743 9.477 ( 11.765 -17.479 -0.997) 21.093 11.148 ( -0.497 6.153 -1.678) 6.397 14.931 ( 2.554 -8.095 -0.463) 8.501 16.055 ( -8.775 15.543 4.986) 18.532 16.206 ( 4.242 3.566 15.718) 16.666 16.463 ( 4.231 0.761 4.020) 5.886 16.729 ( 1.423 12.139 -18.253) 21.967 17.453 ( 0.234 -4.838 -3.786) 6.148 17.564 ( -1.350 -11.776 -15.838) 19.782 17.992 ( 0.512 5.395 11.710) 12.903 18.510 ( -0.855 -9.984 -1.465) 10.127 19.407 ( -0.378 4.954 -0.562) 5.000 19.610 ( 0.405 -0.743 -1.634) 1.840 19.965 ( -0.581 -0.377 5.956) 5.996 ======================= Grid point 739 (135/136) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 3.567 6.178 -1.446) 7.279 2.733 ( -3.675 -6.366 -1.682) 7.540 3.183 ( 5.904 10.226 -1.204) 11.869 3.192 ( 0.837 1.450 4.105) 4.433 3.943 ( 2.022 3.502 0.379) 4.062 4.093 ( -2.399 -4.155 4.568) 6.624 5.662 ( 8.344 14.452 9.456) 19.180 5.845 ( 0.643 1.114 9.782) 9.866 6.432 ( -2.717 -4.706 -3.025) 6.219 7.178 ( -3.621 -6.271 -3.125) 7.887 7.512 ( -7.193 -12.459 -9.152) 17.051 8.475 ( 6.018 10.423 2.238) 12.242 8.964 ( -2.326 -4.029 -3.826) 6.024 9.152 ( -5.293 -9.168 1.206) 10.654 11.184 ( 2.793 4.838 -1.954) 5.918 14.869 ( -2.681 -4.643 -0.406) 5.377 16.177 ( 4.165 7.214 15.829) 17.887 16.279 ( 2.645 4.581 10.848) 12.069 16.383 ( 3.683 6.379 0.000) 7.365 16.771 ( 6.940 12.021 -18.734) 23.316 17.422 ( -3.151 -5.457 -3.618) 7.267 17.519 ( -6.372 -11.037 -17.896) 21.970 18.015 ( 3.339 5.783 11.289) 13.117 18.463 ( -6.189 -10.720 -1.120) 12.429 19.440 ( 2.726 4.722 -0.660) 5.492 19.600 ( -0.526 -0.912 -1.830) 2.111 19.968 ( -0.453 -0.785 6.740) 6.800 ======================= Grid point 741 (136/136) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 6.61e-05 6.61e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -6.293 10.900 -0.938) 12.621 2.633 ( 6.788 -11.757 -0.905) 13.606 3.207 ( -0.182 0.315 4.644) 4.658 3.310 ( -6.233 10.796 -1.703) 12.581 3.977 ( -1.695 2.937 2.733) 4.355 4.045 ( 3.814 -6.606 1.429) 7.761 5.756 ( 1.164 -2.016 16.561) 16.723 5.979 ( -6.228 10.787 3.974) 13.075 6.287 ( 5.145 -8.912 1.269) 10.368 7.178 ( -1.207 2.091 -6.838) 7.252 7.344 ( 4.598 -7.964 -9.250) 13.044 8.725 ( -6.630 11.484 3.664) 13.757 8.732 ( -4.277 7.408 -4.926) 9.871 9.106 ( 10.960 -18.983 -0.151) 21.920 11.232 ( -1.265 2.191 -2.111) 3.295 14.822 ( 1.630 -2.824 -0.179) 3.266 16.274 ( -1.654 2.865 15.518) 15.867 16.289 ( -3.374 5.844 11.522) 13.353 16.474 ( -0.499 0.865 1.885) 2.133 16.915 ( -3.162 5.476 -20.617) 21.565 17.360 ( 2.258 -3.911 -7.256) 8.547 17.370 ( 3.196 -5.536 -10.786) 12.538 18.116 ( -3.644 6.311 5.356) 9.044 18.319 ( 4.798 -8.311 0.623) 9.617 19.499 ( -2.215 3.837 -0.975) 4.536 19.580 ( 1.223 -2.118 -1.526) 2.883 19.960 ( 0.051 -0.089 6.947) 6.948 =================== 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 3/32670 10.0 2092.594 2092.594 1626.584 -0.000 0.000 -0.000 3/32670 20.0 550.857 550.857 241.272 -0.000 -0.000 -0.000 3/32670 30.0 223.432 223.432 86.740 -0.000 -0.000 -0.000 3/32670 40.0 136.055 136.055 50.864 -0.000 -0.000 -0.000 3/32670 50.0 97.021 97.021 35.662 -0.000 -0.000 -0.000 3/32670 60.0 74.908 74.908 27.345 -0.000 -0.000 -0.000 3/32670 70.0 60.821 60.821 22.177 -0.000 -0.000 -0.000 3/32670 80.0 51.155 51.155 18.689 -0.000 -0.000 -0.000 3/32670 90.0 44.140 44.140 16.184 -0.000 -0.000 -0.000 3/32670 100.0 38.812 38.812 14.295 -0.000 -0.000 -0.000 3/32670 110.0 34.615 34.615 12.815 -0.000 -0.000 -0.000 3/32670 120.0 31.214 31.214 11.619 -0.000 -0.000 -0.000 3/32670 130.0 28.396 28.396 10.631 -0.000 -0.000 -0.000 3/32670 140.0 26.022 26.022 9.800 -0.000 -0.000 -0.000 3/32670 150.0 23.994 23.994 9.091 -0.000 -0.000 -0.000 3/32670 160.0 22.244 22.244 8.479 -0.000 -0.000 -0.000 3/32670 170.0 20.720 20.720 7.944 -0.000 -0.000 -0.000 3/32670 180.0 19.382 19.382 7.474 -0.000 -0.000 -0.000 3/32670 190.0 18.200 18.200 7.058 -0.000 -0.000 -0.000 3/32670 200.0 17.150 17.150 6.686 -0.000 -0.000 -0.000 3/32670 210.0 16.210 16.210 6.352 -0.000 -0.000 -0.000 3/32670 220.0 15.367 15.367 6.050 -0.000 -0.000 -0.000 3/32670 230.0 14.605 14.605 5.777 -0.000 -0.000 -0.000 3/32670 240.0 13.915 13.915 5.527 -0.000 -0.000 -0.000 3/32670 250.0 13.287 13.287 5.299 -0.000 -0.000 -0.000 3/32670 260.0 12.712 12.712 5.089 -0.000 -0.000 -0.000 3/32670 270.0 12.186 12.186 4.896 -0.000 -0.000 -0.000 3/32670 280.0 11.701 11.701 4.717 -0.000 -0.000 -0.000 3/32670 290.0 11.254 11.254 4.551 -0.000 -0.000 -0.000 3/32670 300.0 10.840 10.840 4.396 -0.000 -0.000 -0.000 3/32670 310.0 10.456 10.456 4.252 -0.000 -0.000 -0.000 3/32670 320.0 10.098 10.098 4.118 -0.000 -0.000 -0.000 3/32670 330.0 9.765 9.765 3.991 -0.000 -0.000 -0.000 3/32670 340.0 9.453 9.453 3.872 -0.000 -0.000 -0.000 3/32670 350.0 9.160 9.160 3.761 -0.000 -0.000 -0.000 3/32670 360.0 8.886 8.886 3.655 -0.000 -0.000 -0.000 3/32670 370.0 8.628 8.628 3.556 -0.000 -0.000 -0.000 3/32670 380.0 8.384 8.384 3.462 -0.000 -0.000 -0.000 3/32670 390.0 8.154 8.154 3.372 -0.000 -0.000 -0.000 3/32670 400.0 7.937 7.937 3.288 -0.000 -0.000 -0.000 3/32670 410.0 7.731 7.731 3.207 -0.000 -0.000 -0.000 3/32670 420.0 7.536 7.536 3.131 -0.000 -0.000 -0.000 3/32670 430.0 7.351 7.351 3.057 -0.000 -0.000 -0.000 3/32670 440.0 7.174 7.174 2.988 -0.000 -0.000 -0.000 3/32670 450.0 7.006 7.006 2.921 -0.000 -0.000 -0.000 3/32670 460.0 6.846 6.846 2.858 -0.000 -0.000 -0.000 3/32670 470.0 6.693 6.693 2.797 -0.000 -0.000 -0.000 3/32670 480.0 6.547 6.547 2.739 -0.000 -0.000 -0.000 3/32670 490.0 6.407 6.407 2.683 -0.000 -0.000 -0.000 3/32670 500.0 6.274 6.274 2.629 -0.000 -0.000 -0.000 3/32670 510.0 6.145 6.145 2.577 -0.000 -0.000 -0.000 3/32670 520.0 6.022 6.022 2.528 -0.000 -0.000 -0.000 3/32670 530.0 5.904 5.904 2.480 -0.000 -0.000 -0.000 3/32670 540.0 5.791 5.791 2.434 -0.000 -0.000 -0.000 3/32670 550.0 5.682 5.682 2.390 -0.000 -0.000 -0.000 3/32670 560.0 5.577 5.577 2.348 -0.000 -0.000 -0.000 3/32670 570.0 5.475 5.475 2.306 -0.000 -0.000 -0.000 3/32670 580.0 5.378 5.378 2.267 -0.000 -0.000 -0.000 3/32670 590.0 5.284 5.284 2.228 -0.000 -0.000 -0.000 3/32670 600.0 5.193 5.193 2.191 -0.000 -0.000 -0.000 3/32670 610.0 5.105 5.105 2.155 -0.000 -0.000 -0.000 3/32670 620.0 5.021 5.021 2.121 -0.000 -0.000 -0.000 3/32670 630.0 4.939 4.939 2.087 -0.000 -0.000 -0.000 3/32670 640.0 4.859 4.859 2.055 -0.000 -0.000 -0.000 3/32670 650.0 4.783 4.783 2.023 -0.000 -0.000 -0.000 3/32670 660.0 4.708 4.708 1.992 -0.000 -0.000 -0.000 3/32670 670.0 4.636 4.636 1.963 -0.000 -0.000 -0.000 3/32670 680.0 4.567 4.567 1.934 -0.000 -0.000 -0.000 3/32670 690.0 4.499 4.499 1.906 -0.000 -0.000 -0.000 3/32670 700.0 4.433 4.433 1.879 -0.000 -0.000 -0.000 3/32670 710.0 4.369 4.369 1.852 -0.000 -0.000 -0.000 3/32670 720.0 4.307 4.307 1.827 -0.000 -0.000 -0.000 3/32670 730.0 4.247 4.247 1.802 -0.000 -0.000 -0.000 3/32670 740.0 4.189 4.189 1.778 -0.000 -0.000 -0.000 3/32670 750.0 4.132 4.132 1.754 -0.000 -0.000 -0.000 3/32670 760.0 4.076 4.076 1.731 -0.000 -0.000 -0.000 3/32670 770.0 4.022 4.022 1.708 -0.000 -0.000 -0.000 3/32670 780.0 3.970 3.970 1.687 -0.000 -0.000 -0.000 3/32670 790.0 3.919 3.919 1.665 -0.000 -0.000 -0.000 3/32670 800.0 3.869 3.869 1.645 -0.000 -0.000 -0.000 3/32670 810.0 3.821 3.821 1.624 -0.000 -0.000 -0.000 3/32670 820.0 3.773 3.773 1.605 -0.000 -0.000 -0.000 3/32670 830.0 3.727 3.727 1.585 -0.000 -0.000 -0.000 3/32670 840.0 3.682 3.682 1.566 -0.000 -0.000 -0.000 3/32670 850.0 3.638 3.638 1.548 -0.000 -0.000 -0.000 3/32670 860.0 3.595 3.595 1.530 -0.000 -0.000 -0.000 3/32670 870.0 3.553 3.553 1.513 -0.000 -0.000 -0.000 3/32670 880.0 3.512 3.512 1.495 -0.000 -0.000 -0.000 3/32670 890.0 3.472 3.472 1.479 -0.000 -0.000 -0.000 3/32670 900.0 3.433 3.433 1.462 -0.000 -0.000 -0.000 3/32670 910.0 3.395 3.395 1.446 -0.000 -0.000 -0.000 3/32670 920.0 3.358 3.358 1.431 -0.000 -0.000 -0.000 3/32670 930.0 3.321 3.321 1.415 -0.000 -0.000 -0.000 3/32670 940.0 3.285 3.285 1.400 -0.000 -0.000 -0.000 3/32670 950.0 3.250 3.250 1.386 -0.000 -0.000 -0.000 3/32670 960.0 3.216 3.216 1.371 -0.000 -0.000 -0.000 3/32670 970.0 3.183 3.183 1.357 -0.000 -0.000 -0.000 3/32670 980.0 3.150 3.150 1.343 -0.000 -0.000 -0.000 3/32670 990.0 3.118 3.118 1.330 -0.000 -0.000 -0.000 3/32670 1000.0 3.086 3.086 1.316 -0.000 -0.000 -0.000 3/32670 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:05:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|