----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:26:34]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115965020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.227212029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.676894880000000 Atomic positions (fractional): *1 Li 0.35683163315272 0.75000000000000 0.07120327857816 6.941 2 Li 0.64316836684728 0.25000000000000 0.92879672142184 6.941 3 Li 0.85683163315272 0.75000000000000 0.42879672142184 6.941 4 Li 0.14316836684728 0.25000000000000 0.57120327857816 6.941 *5 Na 0.48572487189019 0.75000000000000 0.68269991561732 22.990 6 Na 0.51427512810981 0.25000000000000 0.31730008438268 22.990 7 Na 0.98572487189019 0.75000000000000 0.81730008438268 22.990 8 Na 0.01427512810981 0.25000000000000 0.18269991561732 22.990 *9 Se 0.72125724649736 0.75000000000000 0.10810337999897 78.960 10 Se 0.27874275350264 0.25000000000000 0.89189662000103 78.960 11 Se 0.22125724649736 0.75000000000000 0.39189662000103 78.960 12 Se 0.77874275350264 0.25000000000000 0.60810337999897 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.115965020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.227212029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.676894880000000 Atomic positions (fractional): *1 Li 0.35683163315272 0.75000000000000 0.07120327857816 6.941 > 1 2 Li 0.64316836684728 0.25000000000000 0.92879672142184 6.941 > 2 3 Li 0.85683163315272 0.75000000000000 0.42879672142184 6.941 > 3 4 Li 0.14316836684728 0.25000000000000 0.57120327857816 6.941 > 4 *5 Na 0.48572487189019 0.75000000000000 0.68269991561732 22.990 > 5 6 Na 0.51427512810981 0.25000000000000 0.31730008438268 22.990 > 6 7 Na 0.98572487189019 0.75000000000000 0.81730008438268 22.990 > 7 8 Na 0.01427512810981 0.25000000000000 0.18269991561732 22.990 > 8 *9 Se 0.72125724649736 0.75000000000000 0.10810337999897 78.960 > 9 10 Se 0.27874275350264 0.25000000000000 0.89189662000103 78.960 > 10 11 Se 0.22125724649736 0.75000000000000 0.39189662000103 78.960 > 11 12 Se 0.77874275350264 0.25000000000000 0.60810337999897 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.231930040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.681636089999996 0.000000000000000 c 0.000000000000000 0.000000000000000 15.353789760000000 Atomic positions (fractional): *1 Li 0.17841581657636 0.25000000000000 0.03560163928908 6.941 > 1 2 Li 0.67841581657636 0.25000000000000 0.03560163928908 6.941 > 1 3 Li 0.17841581657636 0.58333333333333 0.03560163928908 6.941 > 1 4 Li 0.67841581657636 0.58333333333333 0.03560163928908 6.941 > 1 5 Li 0.17841581657636 0.91666666666667 0.03560163928908 6.941 > 1 6 Li 0.67841581657636 0.91666666666667 0.03560163928908 6.941 > 1 7 Li 0.17841581657636 0.25000000000000 0.53560163928908 6.941 > 1 8 Li 0.67841581657636 0.25000000000000 0.53560163928908 6.941 > 1 9 Li 0.17841581657636 0.58333333333333 0.53560163928908 6.941 > 1 10 Li 0.67841581657636 0.58333333333333 0.53560163928908 6.941 > 1 11 Li 0.17841581657636 0.91666666666667 0.53560163928908 6.941 > 1 12 Li 0.67841581657636 0.91666666666667 0.53560163928908 6.941 > 1 13 Li 0.32158418342364 0.08333333333333 0.46439836071092 6.941 > 2 14 Li 0.82158418342364 0.08333333333333 0.46439836071092 6.941 > 2 15 Li 0.32158418342364 0.41666666666667 0.46439836071092 6.941 > 2 16 Li 0.82158418342364 0.41666666666667 0.46439836071092 6.941 > 2 17 Li 0.32158418342364 0.75000000000000 0.46439836071092 6.941 > 2 18 Li 0.82158418342364 0.75000000000000 0.46439836071092 6.941 > 2 19 Li 0.32158418342364 0.08333333333333 0.96439836071092 6.941 > 2 20 Li 0.82158418342364 0.08333333333333 0.96439836071092 6.941 > 2 21 Li 0.32158418342364 0.41666666666667 0.96439836071092 6.941 > 2 22 Li 0.82158418342364 0.41666666666667 0.96439836071092 6.941 > 2 23 Li 0.32158418342364 0.75000000000000 0.96439836071092 6.941 > 2 24 Li 0.82158418342364 0.75000000000000 0.96439836071092 6.941 > 2 25 Li 0.42841581657636 0.25000000000000 0.21439836071092 6.941 > 3 26 Li 0.92841581657636 0.25000000000000 0.21439836071092 6.941 > 3 27 Li 0.42841581657636 0.58333333333333 0.21439836071092 6.941 > 3 28 Li 0.92841581657636 0.58333333333333 0.21439836071092 6.941 > 3 29 Li 0.42841581657636 0.91666666666667 0.21439836071092 6.941 > 3 30 Li 0.92841581657636 0.91666666666667 0.21439836071092 6.941 > 3 31 Li 0.42841581657636 0.25000000000000 0.71439836071092 6.941 > 3 32 Li 0.92841581657636 0.25000000000000 0.71439836071092 6.941 > 3 33 Li 0.42841581657636 0.58333333333333 0.71439836071092 6.941 > 3 34 Li 0.92841581657636 0.58333333333333 0.71439836071092 6.941 > 3 35 Li 0.42841581657636 0.91666666666667 0.71439836071092 6.941 > 3 36 Li 0.92841581657636 0.91666666666667 0.71439836071092 6.941 > 3 37 Li 0.07158418342364 0.08333333333333 0.28560163928908 6.941 > 4 38 Li 0.57158418342364 0.08333333333333 0.28560163928908 6.941 > 4 39 Li 0.07158418342364 0.41666666666667 0.28560163928908 6.941 > 4 40 Li 0.57158418342364 0.41666666666667 0.28560163928908 6.941 > 4 41 Li 0.07158418342364 0.75000000000000 0.28560163928908 6.941 > 4 42 Li 0.57158418342364 0.75000000000000 0.28560163928908 6.941 > 4 43 Li 0.07158418342364 0.08333333333333 0.78560163928908 6.941 > 4 44 Li 0.57158418342364 0.08333333333333 0.78560163928908 6.941 > 4 45 Li 0.07158418342364 0.41666666666667 0.78560163928908 6.941 > 4 46 Li 0.57158418342364 0.41666666666667 0.78560163928908 6.941 > 4 47 Li 0.07158418342364 0.75000000000000 0.78560163928908 6.941 > 4 48 Li 0.57158418342364 0.75000000000000 0.78560163928908 6.941 > 4 *49 Na 0.24286243594509 0.25000000000000 0.34134995780866 22.990 > 5 50 Na 0.74286243594509 0.25000000000000 0.34134995780866 22.990 > 5 51 Na 0.24286243594509 0.58333333333333 0.34134995780866 22.990 > 5 52 Na 0.74286243594509 0.58333333333333 0.34134995780866 22.990 > 5 53 Na 0.24286243594509 0.91666666666667 0.34134995780866 22.990 > 5 54 Na 0.74286243594509 0.91666666666667 0.34134995780866 22.990 > 5 55 Na 0.24286243594509 0.25000000000000 0.84134995780866 22.990 > 5 56 Na 0.74286243594509 0.25000000000000 0.84134995780866 22.990 > 5 57 Na 0.24286243594509 0.58333333333333 0.84134995780866 22.990 > 5 58 Na 0.74286243594509 0.58333333333333 0.84134995780866 22.990 > 5 59 Na 0.24286243594509 0.91666666666667 0.84134995780866 22.990 > 5 60 Na 0.74286243594509 0.91666666666667 0.84134995780866 22.990 > 5 61 Na 0.25713756405491 0.08333333333333 0.15865004219134 22.990 > 6 62 Na 0.75713756405491 0.08333333333333 0.15865004219134 22.990 > 6 63 Na 0.25713756405491 0.41666666666667 0.15865004219134 22.990 > 6 64 Na 0.75713756405491 0.41666666666667 0.15865004219134 22.990 > 6 65 Na 0.25713756405491 0.75000000000000 0.15865004219134 22.990 > 6 66 Na 0.75713756405491 0.75000000000000 0.15865004219134 22.990 > 6 67 Na 0.25713756405491 0.08333333333333 0.65865004219134 22.990 > 6 68 Na 0.75713756405491 0.08333333333333 0.65865004219134 22.990 > 6 69 Na 0.25713756405491 0.41666666666667 0.65865004219134 22.990 > 6 70 Na 0.75713756405491 0.41666666666667 0.65865004219134 22.990 > 6 71 Na 0.25713756405491 0.75000000000000 0.65865004219134 22.990 > 6 72 Na 0.75713756405491 0.75000000000000 0.65865004219134 22.990 > 6 73 Na 0.49286243594509 0.25000000000000 0.40865004219134 22.990 > 7 74 Na 0.99286243594509 0.25000000000000 0.40865004219134 22.990 > 7 75 Na 0.49286243594509 0.58333333333333 0.40865004219134 22.990 > 7 76 Na 0.99286243594509 0.58333333333333 0.40865004219134 22.990 > 7 77 Na 0.49286243594509 0.91666666666667 0.40865004219134 22.990 > 7 78 Na 0.99286243594509 0.91666666666667 0.40865004219134 22.990 > 7 79 Na 0.49286243594509 0.25000000000000 0.90865004219134 22.990 > 7 80 Na 0.99286243594509 0.25000000000000 0.90865004219134 22.990 > 7 81 Na 0.49286243594509 0.58333333333333 0.90865004219134 22.990 > 7 82 Na 0.99286243594509 0.58333333333333 0.90865004219134 22.990 > 7 83 Na 0.49286243594509 0.91666666666667 0.90865004219134 22.990 > 7 84 Na 0.99286243594509 0.91666666666667 0.90865004219134 22.990 > 7 85 Na 0.00713756405491 0.08333333333333 0.09134995780866 22.990 > 8 86 Na 0.50713756405491 0.08333333333333 0.09134995780866 22.990 > 8 87 Na 0.00713756405491 0.41666666666667 0.09134995780866 22.990 > 8 88 Na 0.50713756405491 0.41666666666667 0.09134995780866 22.990 > 8 89 Na 0.00713756405491 0.75000000000000 0.09134995780866 22.990 > 8 90 Na 0.50713756405491 0.75000000000000 0.09134995780866 22.990 > 8 91 Na 0.00713756405491 0.08333333333333 0.59134995780866 22.990 > 8 92 Na 0.50713756405491 0.08333333333333 0.59134995780866 22.990 > 8 93 Na 0.00713756405491 0.41666666666667 0.59134995780866 22.990 > 8 94 Na 0.50713756405491 0.41666666666667 0.59134995780866 22.990 > 8 95 Na 0.00713756405491 0.75000000000000 0.59134995780866 22.990 > 8 96 Na 0.50713756405491 0.75000000000000 0.59134995780866 22.990 > 8 *97 Se 0.36062862324868 0.25000000000000 0.05405168999948 78.960 > 9 98 Se 0.86062862324868 0.25000000000000 0.05405168999948 78.960 > 9 99 Se 0.36062862324868 0.58333333333333 0.05405168999948 78.960 > 9 100 Se 0.86062862324868 0.58333333333333 0.05405168999948 78.960 > 9 101 Se 0.36062862324868 0.91666666666667 0.05405168999948 78.960 > 9 102 Se 0.86062862324868 0.91666666666667 0.05405168999948 78.960 > 9 103 Se 0.36062862324868 0.25000000000000 0.55405168999948 78.960 > 9 104 Se 0.86062862324868 0.25000000000000 0.55405168999948 78.960 > 9 105 Se 0.36062862324868 0.58333333333333 0.55405168999948 78.960 > 9 106 Se 0.86062862324868 0.58333333333333 0.55405168999948 78.960 > 9 107 Se 0.36062862324868 0.91666666666667 0.55405168999948 78.960 > 9 108 Se 0.86062862324868 0.91666666666667 0.55405168999948 78.960 > 9 109 Se 0.13937137675132 0.08333333333333 0.44594831000052 78.960 > 10 110 Se 0.63937137675132 0.08333333333333 0.44594831000052 78.960 > 10 111 Se 0.13937137675132 0.41666666666667 0.44594831000052 78.960 > 10 112 Se 0.63937137675132 0.41666666666667 0.44594831000052 78.960 > 10 113 Se 0.13937137675132 0.75000000000000 0.44594831000052 78.960 > 10 114 Se 0.63937137675132 0.75000000000000 0.44594831000052 78.960 > 10 115 Se 0.13937137675132 0.08333333333333 0.94594831000052 78.960 > 10 116 Se 0.63937137675132 0.08333333333333 0.94594831000052 78.960 > 10 117 Se 0.13937137675132 0.41666666666667 0.94594831000052 78.960 > 10 118 Se 0.63937137675132 0.41666666666667 0.94594831000052 78.960 > 10 119 Se 0.13937137675132 0.75000000000000 0.94594831000052 78.960 > 10 120 Se 0.63937137675132 0.75000000000000 0.94594831000052 78.960 > 10 121 Se 0.11062862324868 0.25000000000000 0.19594831000052 78.960 > 11 122 Se 0.61062862324868 0.25000000000000 0.19594831000052 78.960 > 11 123 Se 0.11062862324868 0.58333333333333 0.19594831000052 78.960 > 11 124 Se 0.61062862324868 0.58333333333333 0.19594831000052 78.960 > 11 125 Se 0.11062862324868 0.91666666666667 0.19594831000052 78.960 > 11 126 Se 0.61062862324868 0.91666666666667 0.19594831000052 78.960 > 11 127 Se 0.11062862324868 0.25000000000000 0.69594831000052 78.960 > 11 128 Se 0.61062862324868 0.25000000000000 0.69594831000052 78.960 > 11 129 Se 0.11062862324868 0.58333333333333 0.69594831000052 78.960 > 11 130 Se 0.61062862324868 0.58333333333333 0.69594831000052 78.960 > 11 131 Se 0.11062862324868 0.91666666666667 0.69594831000052 78.960 > 11 132 Se 0.61062862324868 0.91666666666667 0.69594831000052 78.960 > 11 133 Se 0.38937137675132 0.08333333333333 0.30405168999948 78.960 > 12 134 Se 0.88937137675132 0.08333333333333 0.30405168999948 78.960 > 12 135 Se 0.38937137675132 0.41666666666667 0.30405168999948 78.960 > 12 136 Se 0.88937137675132 0.41666666666667 0.30405168999948 78.960 > 12 137 Se 0.38937137675132 0.75000000000000 0.30405168999948 78.960 > 12 138 Se 0.88937137675132 0.75000000000000 0.30405168999948 78.960 > 12 139 Se 0.38937137675132 0.08333333333333 0.80405168999948 78.960 > 12 140 Se 0.88937137675132 0.08333333333333 0.80405168999948 78.960 > 12 141 Se 0.38937137675132 0.41666666666667 0.80405168999948 78.960 > 12 142 Se 0.88937137675132 0.41666666666667 0.80405168999948 78.960 > 12 143 Se 0.38937137675132 0.75000000000000 0.80405168999948 78.960 > 12 144 Se 0.88937137675132 0.75000000000000 0.80405168999948 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7826869 0.0000000 0.0000000 0.0000000 4.7783251 0.0000000 0.0000000 0.0000000 4.7496347 -------------------------- Born effective charges -------------------------- 1 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 2 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 3 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 4 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 5 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 6 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 7 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 8 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 9 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 10 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 11 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 12 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 240 - Time: 0.566 Solver_block: 200 / 240 - Time: 0.573 Solver_block: 240 / 240 - Time: 0.314 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.481 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:26:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:26:51]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115965020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.227212029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.676894880000000 Atomic positions (fractional): 1 Li 0.35683163315272 0.75000000000000 0.07120327857816 6.941 2 Li 0.64316836684728 0.25000000000000 0.92879672142184 6.941 3 Li 0.85683163315272 0.75000000000000 0.42879672142184 6.941 4 Li 0.14316836684728 0.25000000000000 0.57120327857816 6.941 5 Na 0.48572487189019 0.75000000000000 0.68269991561732 22.990 6 Na 0.51427512810981 0.25000000000000 0.31730008438268 22.990 7 Na 0.98572487189019 0.75000000000000 0.81730008438268 22.990 8 Na 0.01427512810981 0.25000000000000 0.18269991561732 22.990 9 Se 0.72125724649736 0.75000000000000 0.10810337999897 78.960 10 Se 0.27874275350264 0.25000000000000 0.89189662000103 78.960 11 Se 0.22125724649736 0.75000000000000 0.39189662000103 78.960 12 Se 0.77874275350264 0.25000000000000 0.60810337999897 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.231930040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.681636089999996 0.000000000000000 c 0.000000000000000 0.000000000000000 15.353789760000000 Atomic positions (fractional): 1 Li 0.17841581657636 0.25000000000000 0.03560163928908 6.941 > 1 2 Li 0.67841581657636 0.25000000000000 0.03560163928908 6.941 > 1 3 Li 0.17841581657636 0.58333333333333 0.03560163928908 6.941 > 1 4 Li 0.67841581657636 0.58333333333333 0.03560163928908 6.941 > 1 5 Li 0.17841581657636 0.91666666666667 0.03560163928908 6.941 > 1 6 Li 0.67841581657636 0.91666666666667 0.03560163928908 6.941 > 1 7 Li 0.17841581657636 0.25000000000000 0.53560163928908 6.941 > 1 8 Li 0.67841581657636 0.25000000000000 0.53560163928908 6.941 > 1 9 Li 0.17841581657636 0.58333333333333 0.53560163928908 6.941 > 1 10 Li 0.67841581657636 0.58333333333333 0.53560163928908 6.941 > 1 11 Li 0.17841581657636 0.91666666666667 0.53560163928908 6.941 > 1 12 Li 0.67841581657636 0.91666666666667 0.53560163928908 6.941 > 1 13 Li 0.32158418342364 0.08333333333333 0.46439836071092 6.941 > 13 14 Li 0.82158418342364 0.08333333333333 0.46439836071092 6.941 > 13 15 Li 0.32158418342364 0.41666666666667 0.46439836071092 6.941 > 13 16 Li 0.82158418342364 0.41666666666667 0.46439836071092 6.941 > 13 17 Li 0.32158418342364 0.75000000000000 0.46439836071092 6.941 > 13 18 Li 0.82158418342364 0.75000000000000 0.46439836071092 6.941 > 13 19 Li 0.32158418342364 0.08333333333333 0.96439836071092 6.941 > 13 20 Li 0.82158418342364 0.08333333333333 0.96439836071092 6.941 > 13 21 Li 0.32158418342364 0.41666666666667 0.96439836071092 6.941 > 13 22 Li 0.82158418342364 0.41666666666667 0.96439836071092 6.941 > 13 23 Li 0.32158418342364 0.75000000000000 0.96439836071092 6.941 > 13 24 Li 0.82158418342364 0.75000000000000 0.96439836071092 6.941 > 13 25 Li 0.42841581657636 0.25000000000000 0.21439836071092 6.941 > 25 26 Li 0.92841581657636 0.25000000000000 0.21439836071092 6.941 > 25 27 Li 0.42841581657636 0.58333333333333 0.21439836071092 6.941 > 25 28 Li 0.92841581657636 0.58333333333333 0.21439836071092 6.941 > 25 29 Li 0.42841581657636 0.91666666666667 0.21439836071092 6.941 > 25 30 Li 0.92841581657636 0.91666666666667 0.21439836071092 6.941 > 25 31 Li 0.42841581657636 0.25000000000000 0.71439836071092 6.941 > 25 32 Li 0.92841581657636 0.25000000000000 0.71439836071092 6.941 > 25 33 Li 0.42841581657636 0.58333333333333 0.71439836071092 6.941 > 25 34 Li 0.92841581657636 0.58333333333333 0.71439836071092 6.941 > 25 35 Li 0.42841581657636 0.91666666666667 0.71439836071092 6.941 > 25 36 Li 0.92841581657636 0.91666666666667 0.71439836071092 6.941 > 25 37 Li 0.07158418342364 0.08333333333333 0.28560163928908 6.941 > 37 38 Li 0.57158418342364 0.08333333333333 0.28560163928908 6.941 > 37 39 Li 0.07158418342364 0.41666666666667 0.28560163928908 6.941 > 37 40 Li 0.57158418342364 0.41666666666667 0.28560163928908 6.941 > 37 41 Li 0.07158418342364 0.75000000000000 0.28560163928908 6.941 > 37 42 Li 0.57158418342364 0.75000000000000 0.28560163928908 6.941 > 37 43 Li 0.07158418342364 0.08333333333333 0.78560163928908 6.941 > 37 44 Li 0.57158418342364 0.08333333333333 0.78560163928908 6.941 > 37 45 Li 0.07158418342364 0.41666666666667 0.78560163928908 6.941 > 37 46 Li 0.57158418342364 0.41666666666667 0.78560163928908 6.941 > 37 47 Li 0.07158418342364 0.75000000000000 0.78560163928908 6.941 > 37 48 Li 0.57158418342364 0.75000000000000 0.78560163928908 6.941 > 37 49 Na 0.24286243594509 0.25000000000000 0.34134995780866 22.990 > 49 50 Na 0.74286243594509 0.25000000000000 0.34134995780866 22.990 > 49 51 Na 0.24286243594509 0.58333333333333 0.34134995780866 22.990 > 49 52 Na 0.74286243594509 0.58333333333333 0.34134995780866 22.990 > 49 53 Na 0.24286243594509 0.91666666666667 0.34134995780866 22.990 > 49 54 Na 0.74286243594509 0.91666666666667 0.34134995780866 22.990 > 49 55 Na 0.24286243594509 0.25000000000000 0.84134995780866 22.990 > 49 56 Na 0.74286243594509 0.25000000000000 0.84134995780866 22.990 > 49 57 Na 0.24286243594509 0.58333333333333 0.84134995780866 22.990 > 49 58 Na 0.74286243594509 0.58333333333333 0.84134995780866 22.990 > 49 59 Na 0.24286243594509 0.91666666666667 0.84134995780866 22.990 > 49 60 Na 0.74286243594509 0.91666666666667 0.84134995780866 22.990 > 49 61 Na 0.25713756405491 0.08333333333333 0.15865004219134 22.990 > 61 62 Na 0.75713756405491 0.08333333333333 0.15865004219134 22.990 > 61 63 Na 0.25713756405491 0.41666666666667 0.15865004219134 22.990 > 61 64 Na 0.75713756405491 0.41666666666667 0.15865004219134 22.990 > 61 65 Na 0.25713756405491 0.75000000000000 0.15865004219134 22.990 > 61 66 Na 0.75713756405491 0.75000000000000 0.15865004219134 22.990 > 61 67 Na 0.25713756405491 0.08333333333333 0.65865004219134 22.990 > 61 68 Na 0.75713756405491 0.08333333333333 0.65865004219134 22.990 > 61 69 Na 0.25713756405491 0.41666666666667 0.65865004219134 22.990 > 61 70 Na 0.75713756405491 0.41666666666667 0.65865004219134 22.990 > 61 71 Na 0.25713756405491 0.75000000000000 0.65865004219134 22.990 > 61 72 Na 0.75713756405491 0.75000000000000 0.65865004219134 22.990 > 61 73 Na 0.49286243594509 0.25000000000000 0.40865004219134 22.990 > 73 74 Na 0.99286243594509 0.25000000000000 0.40865004219134 22.990 > 73 75 Na 0.49286243594509 0.58333333333333 0.40865004219134 22.990 > 73 76 Na 0.99286243594509 0.58333333333333 0.40865004219134 22.990 > 73 77 Na 0.49286243594509 0.91666666666667 0.40865004219134 22.990 > 73 78 Na 0.99286243594509 0.91666666666667 0.40865004219134 22.990 > 73 79 Na 0.49286243594509 0.25000000000000 0.90865004219134 22.990 > 73 80 Na 0.99286243594509 0.25000000000000 0.90865004219134 22.990 > 73 81 Na 0.49286243594509 0.58333333333333 0.90865004219134 22.990 > 73 82 Na 0.99286243594509 0.58333333333333 0.90865004219134 22.990 > 73 83 Na 0.49286243594509 0.91666666666667 0.90865004219134 22.990 > 73 84 Na 0.99286243594509 0.91666666666667 0.90865004219134 22.990 > 73 85 Na 0.00713756405491 0.08333333333333 0.09134995780866 22.990 > 85 86 Na 0.50713756405491 0.08333333333333 0.09134995780866 22.990 > 85 87 Na 0.00713756405491 0.41666666666667 0.09134995780866 22.990 > 85 88 Na 0.50713756405491 0.41666666666667 0.09134995780866 22.990 > 85 89 Na 0.00713756405491 0.75000000000000 0.09134995780866 22.990 > 85 90 Na 0.50713756405491 0.75000000000000 0.09134995780866 22.990 > 85 91 Na 0.00713756405491 0.08333333333333 0.59134995780866 22.990 > 85 92 Na 0.50713756405491 0.08333333333333 0.59134995780866 22.990 > 85 93 Na 0.00713756405491 0.41666666666667 0.59134995780866 22.990 > 85 94 Na 0.50713756405491 0.41666666666667 0.59134995780866 22.990 > 85 95 Na 0.00713756405491 0.75000000000000 0.59134995780866 22.990 > 85 96 Na 0.50713756405491 0.75000000000000 0.59134995780866 22.990 > 85 97 Se 0.36062862324868 0.25000000000000 0.05405168999948 78.960 > 97 98 Se 0.86062862324868 0.25000000000000 0.05405168999948 78.960 > 97 99 Se 0.36062862324868 0.58333333333333 0.05405168999948 78.960 > 97 100 Se 0.86062862324868 0.58333333333333 0.05405168999948 78.960 > 97 101 Se 0.36062862324868 0.91666666666667 0.05405168999948 78.960 > 97 102 Se 0.86062862324868 0.91666666666667 0.05405168999948 78.960 > 97 103 Se 0.36062862324868 0.25000000000000 0.55405168999948 78.960 > 97 104 Se 0.86062862324868 0.25000000000000 0.55405168999948 78.960 > 97 105 Se 0.36062862324868 0.58333333333333 0.55405168999948 78.960 > 97 106 Se 0.86062862324868 0.58333333333333 0.55405168999948 78.960 > 97 107 Se 0.36062862324868 0.91666666666667 0.55405168999948 78.960 > 97 108 Se 0.86062862324868 0.91666666666667 0.55405168999948 78.960 > 97 109 Se 0.13937137675132 0.08333333333333 0.44594831000052 78.960 > 109 110 Se 0.63937137675132 0.08333333333333 0.44594831000052 78.960 > 109 111 Se 0.13937137675132 0.41666666666667 0.44594831000052 78.960 > 109 112 Se 0.63937137675132 0.41666666666667 0.44594831000052 78.960 > 109 113 Se 0.13937137675132 0.75000000000000 0.44594831000052 78.960 > 109 114 Se 0.63937137675132 0.75000000000000 0.44594831000052 78.960 > 109 115 Se 0.13937137675132 0.08333333333333 0.94594831000052 78.960 > 109 116 Se 0.63937137675132 0.08333333333333 0.94594831000052 78.960 > 109 117 Se 0.13937137675132 0.41666666666667 0.94594831000052 78.960 > 109 118 Se 0.63937137675132 0.41666666666667 0.94594831000052 78.960 > 109 119 Se 0.13937137675132 0.75000000000000 0.94594831000052 78.960 > 109 120 Se 0.63937137675132 0.75000000000000 0.94594831000052 78.960 > 109 121 Se 0.11062862324868 0.25000000000000 0.19594831000052 78.960 > 121 122 Se 0.61062862324868 0.25000000000000 0.19594831000052 78.960 > 121 123 Se 0.11062862324868 0.58333333333333 0.19594831000052 78.960 > 121 124 Se 0.61062862324868 0.58333333333333 0.19594831000052 78.960 > 121 125 Se 0.11062862324868 0.91666666666667 0.19594831000052 78.960 > 121 126 Se 0.61062862324868 0.91666666666667 0.19594831000052 78.960 > 121 127 Se 0.11062862324868 0.25000000000000 0.69594831000052 78.960 > 121 128 Se 0.61062862324868 0.25000000000000 0.69594831000052 78.960 > 121 129 Se 0.11062862324868 0.58333333333333 0.69594831000052 78.960 > 121 130 Se 0.61062862324868 0.58333333333333 0.69594831000052 78.960 > 121 131 Se 0.11062862324868 0.91666666666667 0.69594831000052 78.960 > 121 132 Se 0.61062862324868 0.91666666666667 0.69594831000052 78.960 > 121 133 Se 0.38937137675132 0.08333333333333 0.30405168999948 78.960 > 133 134 Se 0.88937137675132 0.08333333333333 0.30405168999948 78.960 > 133 135 Se 0.38937137675132 0.41666666666667 0.30405168999948 78.960 > 133 136 Se 0.88937137675132 0.41666666666667 0.30405168999948 78.960 > 133 137 Se 0.38937137675132 0.75000000000000 0.30405168999948 78.960 > 133 138 Se 0.88937137675132 0.75000000000000 0.30405168999948 78.960 > 133 139 Se 0.38937137675132 0.08333333333333 0.80405168999948 78.960 > 133 140 Se 0.88937137675132 0.08333333333333 0.80405168999948 78.960 > 133 141 Se 0.38937137675132 0.41666666666667 0.80405168999948 78.960 > 133 142 Se 0.88937137675132 0.41666666666667 0.80405168999948 78.960 > 133 143 Se 0.38937137675132 0.75000000000000 0.80405168999948 78.960 > 133 144 Se 0.88937137675132 0.75000000000000 0.80405168999948 78.960 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7826869 0.0000000 0.0000000 0.0000000 4.7783251 0.0000000 0.0000000 0.0000000 4.7496347 -------------------------- Born effective charges -------------------------- 1 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 2 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 3 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 4 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 5 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 6 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 7 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 8 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 9 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 10 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 11 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 12 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:27:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:27:09]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.115965020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.227212029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.676894880000000 Atomic positions (fractional): 1 Li 0.35683163315272 0.75000000000000 0.07120327857816 6.941 2 Li 0.64316836684728 0.25000000000000 0.92879672142184 6.941 3 Li 0.85683163315272 0.75000000000000 0.42879672142184 6.941 4 Li 0.14316836684728 0.25000000000000 0.57120327857816 6.941 5 Na 0.48572487189019 0.75000000000000 0.68269991561732 22.990 6 Na 0.51427512810981 0.25000000000000 0.31730008438268 22.990 7 Na 0.98572487189019 0.75000000000000 0.81730008438268 22.990 8 Na 0.01427512810981 0.25000000000000 0.18269991561732 22.990 9 Se 0.72125724649736 0.75000000000000 0.10810337999897 78.960 10 Se 0.27874275350264 0.25000000000000 0.89189662000103 78.960 11 Se 0.22125724649736 0.75000000000000 0.39189662000103 78.960 12 Se 0.77874275350264 0.25000000000000 0.60810337999897 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.231930040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.681636089999996 0.000000000000000 c 0.000000000000000 0.000000000000000 15.353789760000000 Atomic positions (fractional): 1 Li 0.17841581657636 0.25000000000000 0.03560163928908 6.941 > 1 2 Li 0.67841581657636 0.25000000000000 0.03560163928908 6.941 > 1 3 Li 0.17841581657636 0.58333333333333 0.03560163928908 6.941 > 1 4 Li 0.67841581657636 0.58333333333333 0.03560163928908 6.941 > 1 5 Li 0.17841581657636 0.91666666666667 0.03560163928908 6.941 > 1 6 Li 0.67841581657636 0.91666666666667 0.03560163928908 6.941 > 1 7 Li 0.17841581657636 0.25000000000000 0.53560163928908 6.941 > 1 8 Li 0.67841581657636 0.25000000000000 0.53560163928908 6.941 > 1 9 Li 0.17841581657636 0.58333333333333 0.53560163928908 6.941 > 1 10 Li 0.67841581657636 0.58333333333333 0.53560163928908 6.941 > 1 11 Li 0.17841581657636 0.91666666666667 0.53560163928908 6.941 > 1 12 Li 0.67841581657636 0.91666666666667 0.53560163928908 6.941 > 1 13 Li 0.32158418342364 0.08333333333333 0.46439836071092 6.941 > 13 14 Li 0.82158418342364 0.08333333333333 0.46439836071092 6.941 > 13 15 Li 0.32158418342364 0.41666666666667 0.46439836071092 6.941 > 13 16 Li 0.82158418342364 0.41666666666667 0.46439836071092 6.941 > 13 17 Li 0.32158418342364 0.75000000000000 0.46439836071092 6.941 > 13 18 Li 0.82158418342364 0.75000000000000 0.46439836071092 6.941 > 13 19 Li 0.32158418342364 0.08333333333333 0.96439836071092 6.941 > 13 20 Li 0.82158418342364 0.08333333333333 0.96439836071092 6.941 > 13 21 Li 0.32158418342364 0.41666666666667 0.96439836071092 6.941 > 13 22 Li 0.82158418342364 0.41666666666667 0.96439836071092 6.941 > 13 23 Li 0.32158418342364 0.75000000000000 0.96439836071092 6.941 > 13 24 Li 0.82158418342364 0.75000000000000 0.96439836071092 6.941 > 13 25 Li 0.42841581657636 0.25000000000000 0.21439836071092 6.941 > 25 26 Li 0.92841581657636 0.25000000000000 0.21439836071092 6.941 > 25 27 Li 0.42841581657636 0.58333333333333 0.21439836071092 6.941 > 25 28 Li 0.92841581657636 0.58333333333333 0.21439836071092 6.941 > 25 29 Li 0.42841581657636 0.91666666666667 0.21439836071092 6.941 > 25 30 Li 0.92841581657636 0.91666666666667 0.21439836071092 6.941 > 25 31 Li 0.42841581657636 0.25000000000000 0.71439836071092 6.941 > 25 32 Li 0.92841581657636 0.25000000000000 0.71439836071092 6.941 > 25 33 Li 0.42841581657636 0.58333333333333 0.71439836071092 6.941 > 25 34 Li 0.92841581657636 0.58333333333333 0.71439836071092 6.941 > 25 35 Li 0.42841581657636 0.91666666666667 0.71439836071092 6.941 > 25 36 Li 0.92841581657636 0.91666666666667 0.71439836071092 6.941 > 25 37 Li 0.07158418342364 0.08333333333333 0.28560163928908 6.941 > 37 38 Li 0.57158418342364 0.08333333333333 0.28560163928908 6.941 > 37 39 Li 0.07158418342364 0.41666666666667 0.28560163928908 6.941 > 37 40 Li 0.57158418342364 0.41666666666667 0.28560163928908 6.941 > 37 41 Li 0.07158418342364 0.75000000000000 0.28560163928908 6.941 > 37 42 Li 0.57158418342364 0.75000000000000 0.28560163928908 6.941 > 37 43 Li 0.07158418342364 0.08333333333333 0.78560163928908 6.941 > 37 44 Li 0.57158418342364 0.08333333333333 0.78560163928908 6.941 > 37 45 Li 0.07158418342364 0.41666666666667 0.78560163928908 6.941 > 37 46 Li 0.57158418342364 0.41666666666667 0.78560163928908 6.941 > 37 47 Li 0.07158418342364 0.75000000000000 0.78560163928908 6.941 > 37 48 Li 0.57158418342364 0.75000000000000 0.78560163928908 6.941 > 37 49 Na 0.24286243594509 0.25000000000000 0.34134995780866 22.990 > 49 50 Na 0.74286243594509 0.25000000000000 0.34134995780866 22.990 > 49 51 Na 0.24286243594509 0.58333333333333 0.34134995780866 22.990 > 49 52 Na 0.74286243594509 0.58333333333333 0.34134995780866 22.990 > 49 53 Na 0.24286243594509 0.91666666666667 0.34134995780866 22.990 > 49 54 Na 0.74286243594509 0.91666666666667 0.34134995780866 22.990 > 49 55 Na 0.24286243594509 0.25000000000000 0.84134995780866 22.990 > 49 56 Na 0.74286243594509 0.25000000000000 0.84134995780866 22.990 > 49 57 Na 0.24286243594509 0.58333333333333 0.84134995780866 22.990 > 49 58 Na 0.74286243594509 0.58333333333333 0.84134995780866 22.990 > 49 59 Na 0.24286243594509 0.91666666666667 0.84134995780866 22.990 > 49 60 Na 0.74286243594509 0.91666666666667 0.84134995780866 22.990 > 49 61 Na 0.25713756405491 0.08333333333333 0.15865004219134 22.990 > 61 62 Na 0.75713756405491 0.08333333333333 0.15865004219134 22.990 > 61 63 Na 0.25713756405491 0.41666666666667 0.15865004219134 22.990 > 61 64 Na 0.75713756405491 0.41666666666667 0.15865004219134 22.990 > 61 65 Na 0.25713756405491 0.75000000000000 0.15865004219134 22.990 > 61 66 Na 0.75713756405491 0.75000000000000 0.15865004219134 22.990 > 61 67 Na 0.25713756405491 0.08333333333333 0.65865004219134 22.990 > 61 68 Na 0.75713756405491 0.08333333333333 0.65865004219134 22.990 > 61 69 Na 0.25713756405491 0.41666666666667 0.65865004219134 22.990 > 61 70 Na 0.75713756405491 0.41666666666667 0.65865004219134 22.990 > 61 71 Na 0.25713756405491 0.75000000000000 0.65865004219134 22.990 > 61 72 Na 0.75713756405491 0.75000000000000 0.65865004219134 22.990 > 61 73 Na 0.49286243594509 0.25000000000000 0.40865004219134 22.990 > 73 74 Na 0.99286243594509 0.25000000000000 0.40865004219134 22.990 > 73 75 Na 0.49286243594509 0.58333333333333 0.40865004219134 22.990 > 73 76 Na 0.99286243594509 0.58333333333333 0.40865004219134 22.990 > 73 77 Na 0.49286243594509 0.91666666666667 0.40865004219134 22.990 > 73 78 Na 0.99286243594509 0.91666666666667 0.40865004219134 22.990 > 73 79 Na 0.49286243594509 0.25000000000000 0.90865004219134 22.990 > 73 80 Na 0.99286243594509 0.25000000000000 0.90865004219134 22.990 > 73 81 Na 0.49286243594509 0.58333333333333 0.90865004219134 22.990 > 73 82 Na 0.99286243594509 0.58333333333333 0.90865004219134 22.990 > 73 83 Na 0.49286243594509 0.91666666666667 0.90865004219134 22.990 > 73 84 Na 0.99286243594509 0.91666666666667 0.90865004219134 22.990 > 73 85 Na 0.00713756405491 0.08333333333333 0.09134995780866 22.990 > 85 86 Na 0.50713756405491 0.08333333333333 0.09134995780866 22.990 > 85 87 Na 0.00713756405491 0.41666666666667 0.09134995780866 22.990 > 85 88 Na 0.50713756405491 0.41666666666667 0.09134995780866 22.990 > 85 89 Na 0.00713756405491 0.75000000000000 0.09134995780866 22.990 > 85 90 Na 0.50713756405491 0.75000000000000 0.09134995780866 22.990 > 85 91 Na 0.00713756405491 0.08333333333333 0.59134995780866 22.990 > 85 92 Na 0.50713756405491 0.08333333333333 0.59134995780866 22.990 > 85 93 Na 0.00713756405491 0.41666666666667 0.59134995780866 22.990 > 85 94 Na 0.50713756405491 0.41666666666667 0.59134995780866 22.990 > 85 95 Na 0.00713756405491 0.75000000000000 0.59134995780866 22.990 > 85 96 Na 0.50713756405491 0.75000000000000 0.59134995780866 22.990 > 85 97 Se 0.36062862324868 0.25000000000000 0.05405168999948 78.960 > 97 98 Se 0.86062862324868 0.25000000000000 0.05405168999948 78.960 > 97 99 Se 0.36062862324868 0.58333333333333 0.05405168999948 78.960 > 97 100 Se 0.86062862324868 0.58333333333333 0.05405168999948 78.960 > 97 101 Se 0.36062862324868 0.91666666666667 0.05405168999948 78.960 > 97 102 Se 0.86062862324868 0.91666666666667 0.05405168999948 78.960 > 97 103 Se 0.36062862324868 0.25000000000000 0.55405168999948 78.960 > 97 104 Se 0.86062862324868 0.25000000000000 0.55405168999948 78.960 > 97 105 Se 0.36062862324868 0.58333333333333 0.55405168999948 78.960 > 97 106 Se 0.86062862324868 0.58333333333333 0.55405168999948 78.960 > 97 107 Se 0.36062862324868 0.91666666666667 0.55405168999948 78.960 > 97 108 Se 0.86062862324868 0.91666666666667 0.55405168999948 78.960 > 97 109 Se 0.13937137675132 0.08333333333333 0.44594831000052 78.960 > 109 110 Se 0.63937137675132 0.08333333333333 0.44594831000052 78.960 > 109 111 Se 0.13937137675132 0.41666666666667 0.44594831000052 78.960 > 109 112 Se 0.63937137675132 0.41666666666667 0.44594831000052 78.960 > 109 113 Se 0.13937137675132 0.75000000000000 0.44594831000052 78.960 > 109 114 Se 0.63937137675132 0.75000000000000 0.44594831000052 78.960 > 109 115 Se 0.13937137675132 0.08333333333333 0.94594831000052 78.960 > 109 116 Se 0.63937137675132 0.08333333333333 0.94594831000052 78.960 > 109 117 Se 0.13937137675132 0.41666666666667 0.94594831000052 78.960 > 109 118 Se 0.63937137675132 0.41666666666667 0.94594831000052 78.960 > 109 119 Se 0.13937137675132 0.75000000000000 0.94594831000052 78.960 > 109 120 Se 0.63937137675132 0.75000000000000 0.94594831000052 78.960 > 109 121 Se 0.11062862324868 0.25000000000000 0.19594831000052 78.960 > 121 122 Se 0.61062862324868 0.25000000000000 0.19594831000052 78.960 > 121 123 Se 0.11062862324868 0.58333333333333 0.19594831000052 78.960 > 121 124 Se 0.61062862324868 0.58333333333333 0.19594831000052 78.960 > 121 125 Se 0.11062862324868 0.91666666666667 0.19594831000052 78.960 > 121 126 Se 0.61062862324868 0.91666666666667 0.19594831000052 78.960 > 121 127 Se 0.11062862324868 0.25000000000000 0.69594831000052 78.960 > 121 128 Se 0.61062862324868 0.25000000000000 0.69594831000052 78.960 > 121 129 Se 0.11062862324868 0.58333333333333 0.69594831000052 78.960 > 121 130 Se 0.61062862324868 0.58333333333333 0.69594831000052 78.960 > 121 131 Se 0.11062862324868 0.91666666666667 0.69594831000052 78.960 > 121 132 Se 0.61062862324868 0.91666666666667 0.69594831000052 78.960 > 121 133 Se 0.38937137675132 0.08333333333333 0.30405168999948 78.960 > 133 134 Se 0.88937137675132 0.08333333333333 0.30405168999948 78.960 > 133 135 Se 0.38937137675132 0.41666666666667 0.30405168999948 78.960 > 133 136 Se 0.88937137675132 0.41666666666667 0.30405168999948 78.960 > 133 137 Se 0.38937137675132 0.75000000000000 0.30405168999948 78.960 > 133 138 Se 0.88937137675132 0.75000000000000 0.30405168999948 78.960 > 133 139 Se 0.38937137675132 0.08333333333333 0.80405168999948 78.960 > 133 140 Se 0.88937137675132 0.08333333333333 0.80405168999948 78.960 > 133 141 Se 0.38937137675132 0.41666666666667 0.80405168999948 78.960 > 133 142 Se 0.88937137675132 0.41666666666667 0.80405168999948 78.960 > 133 143 Se 0.38937137675132 0.75000000000000 0.80405168999948 78.960 > 133 144 Se 0.88937137675132 0.75000000000000 0.80405168999948 78.960 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7826869 0.0000000 0.0000000 0.0000000 4.7783251 0.0000000 0.0000000 0.0000000 4.7496347 -------------------------- Born effective charges -------------------------- 1 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 2 Li 0.8819785 0.0000000 -0.0678295 0.0000000 0.9309969 0.0000000 -0.0354064 0.0000000 0.9555540 3 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 4 Li 0.8819785 0.0000000 0.0678295 0.0000000 0.9309969 0.0000000 0.0354064 0.0000000 0.9555540 5 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 6 Na 1.1529305 0.0000000 -0.0010614 0.0000000 1.1538427 0.0000000 -0.0444663 0.0000000 1.1003933 7 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 8 Na 1.1529305 0.0000000 0.0010614 0.0000000 1.1538427 0.0000000 0.0444663 0.0000000 1.1003933 9 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 10 Se -2.0349091 0.0000000 -0.1213314 0.0000000 -2.0848397 0.0000000 -0.1700082 0.0000000 -2.0559474 11 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 12 Se -2.0349091 0.0000000 0.1213314 0.0000000 -2.0848397 0.0000000 0.1700082 0.0000000 -2.0559474 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (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 ... [ 7 12 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 25.794 0.000 0.000) 25.794 0.539 ( 26.141 0.000 0.000) 26.141 0.891 ( 43.320 0.000 0.000) 43.320 2.228 ( -6.055 0.000 0.000) 6.055 2.536 ( -8.602 0.000 0.000) 8.602 2.857 ( 2.139 0.000 0.000) 2.139 2.905 ( -10.762 0.000 0.000) 10.762 3.141 ( -0.457 0.000 0.000) 0.457 3.159 ( -12.774 0.000 0.000) 12.774 3.678 ( 4.709 0.000 0.000) 4.709 3.684 ( 10.984 0.000 0.000) 10.984 4.090 ( 4.148 0.000 0.000) 4.148 4.102 ( -6.237 0.000 0.000) 6.237 4.201 ( -0.737 0.000 0.000) 0.737 4.304 ( -2.477 0.000 0.000) 2.477 4.320 ( 1.041 0.000 0.000) 1.041 4.426 ( -0.476 0.000 0.000) 0.476 4.506 ( -1.224 0.000 0.000) 1.224 4.526 ( -1.446 0.000 0.000) 1.446 4.771 ( -2.783 0.000 0.000) 2.783 4.887 ( -0.760 0.000 0.000) 0.760 5.271 ( -9.484 0.000 0.000) 9.484 5.629 ( 7.303 0.000 0.000) 7.303 5.786 ( 1.413 0.000 0.000) 1.413 9.109 ( 1.485 0.000 0.000) 1.485 9.255 ( -0.265 0.000 0.000) 0.265 9.310 ( 1.376 0.000 0.000) 1.376 9.400 ( 0.330 0.000 0.000) 0.330 9.523 ( 1.236 0.000 0.000) 1.236 9.639 ( 2.198 0.000 0.000) 2.198 9.750 ( -1.309 0.000 0.000) 1.309 10.118 ( 1.266 0.000 0.000) 1.266 10.301 ( -0.799 0.000 0.000) 0.799 10.423 ( -12.769 0.000 0.000) 12.769 11.020 ( 14.078 0.000 0.000) 14.078 11.260 ( 5.255 0.000 0.000) 5.255 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 24.631 0.000 0.000) 24.631 1.035 ( 22.892 0.000 0.000) 22.892 1.686 ( 30.879 0.000 0.000) 30.879 2.096 ( -2.124 0.000 0.000) 2.124 2.290 ( -15.401 0.000 0.000) 15.401 2.688 ( -9.377 0.000 0.000) 9.377 2.920 ( -10.584 0.000 0.000) 10.584 2.922 ( 4.048 0.000 0.000) 4.048 3.123 ( -1.434 0.000 0.000) 1.434 3.634 ( -11.870 0.000 0.000) 11.870 3.864 ( 6.757 0.000 0.000) 6.757 4.030 ( 0.950 0.000 0.000) 0.950 4.193 ( 5.766 0.000 0.000) 5.766 4.213 ( 1.777 0.000 0.000) 1.777 4.227 ( -4.596 0.000 0.000) 4.596 4.340 ( 1.436 0.000 0.000) 1.436 4.416 ( -0.378 0.000 0.000) 0.378 4.474 ( -1.819 0.000 0.000) 1.819 4.483 ( -2.878 0.000 0.000) 2.878 4.688 ( -5.402 0.000 0.000) 5.402 4.876 ( -0.071 0.000 0.000) 0.071 5.094 ( -7.807 0.000 0.000) 7.807 5.750 ( 4.696 0.000 0.000) 4.696 5.817 ( 1.437 0.000 0.000) 1.437 9.156 ( 3.220 0.000 0.000) 3.220 9.265 ( 1.287 0.000 0.000) 1.287 9.335 ( 0.787 0.000 0.000) 0.787 9.382 ( -2.202 0.000 0.000) 2.202 9.558 ( 2.197 0.000 0.000) 2.197 9.714 ( -2.242 0.000 0.000) 2.242 9.715 ( 5.221 0.000 0.000) 5.221 10.153 ( 2.057 0.000 0.000) 2.057 10.188 ( -10.579 0.000 0.000) 10.579 10.278 ( -1.522 0.000 0.000) 1.522 11.276 ( 10.857 0.000 0.000) 10.857 11.382 ( 5.955 0.000 0.000) 5.955 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 17.604 0.000 0.000) 17.604 1.507 ( 22.660 0.000 0.000) 22.660 1.740 ( -11.764 0.000 0.000) 11.764 1.934 ( -19.744 0.000 0.000) 19.744 2.466 ( 18.308 0.000 0.000) 18.308 2.566 ( -2.492 0.000 0.000) 2.492 2.815 ( 7.314 0.000 0.000) 7.314 3.007 ( 4.140 0.000 0.000) 4.140 3.080 ( -2.920 0.000 0.000) 2.920 3.249 ( -24.520 0.000 0.000) 24.520 3.969 ( 4.344 0.000 0.000) 4.344 4.045 ( -2.246 0.000 0.000) 2.246 4.178 ( 1.222 0.000 0.000) 1.222 4.222 ( -1.586 0.000 0.000) 1.586 4.308 ( 5.448 0.000 0.000) 5.448 4.403 ( -3.110 0.000 0.000) 3.110 4.417 ( 6.368 0.000 0.000) 6.368 4.424 ( -0.715 0.000 0.000) 0.715 4.440 ( -1.464 0.000 0.000) 1.464 4.560 ( -7.157 0.000 0.000) 7.157 4.895 ( 2.114 0.000 0.000) 2.114 4.965 ( -4.974 0.000 0.000) 4.974 5.817 ( 2.040 0.000 0.000) 2.040 5.835 ( 0.140 0.000 0.000) 0.140 9.232 ( 4.122 0.000 0.000) 4.122 9.295 ( 0.571 0.000 0.000) 0.571 9.324 ( -2.481 0.000 0.000) 2.481 9.335 ( -0.848 0.000 0.000) 0.848 9.608 ( 2.706 0.000 0.000) 2.706 9.663 ( -2.713 0.000 0.000) 2.713 9.840 ( 7.061 0.000 0.000) 7.061 9.997 ( -8.563 0.000 0.000) 8.563 10.197 ( 2.290 0.000 0.000) 2.290 10.241 ( -2.065 0.000 0.000) 2.065 11.437 ( 4.835 0.000 0.000) 4.835 11.466 ( 1.762 0.000 0.000) 1.762 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 26.030 0.000) 26.030 0.573 ( 0.000 29.073 0.000) 29.073 0.873 ( 0.000 43.270 0.000) 43.270 2.317 ( 0.000 2.749 0.000) 2.749 2.710 ( 0.000 8.439 0.000) 8.439 2.913 ( 0.000 7.185 0.000) 7.185 3.047 ( 0.000 1.145 0.000) 1.145 3.203 ( 0.000 4.895 0.000) 4.895 3.396 ( 0.000 0.981 0.000) 0.981 3.442 ( 0.000 -1.354 0.000) 1.354 3.606 ( 0.000 0.500 0.000) 0.500 4.018 ( 0.000 -2.511 0.000) 2.511 4.119 ( 0.000 1.462 0.000) 1.462 4.179 ( 0.000 -0.055 0.000) 0.055 4.285 ( 0.000 -1.880 0.000) 1.880 4.294 ( 0.000 -3.086 0.000) 3.086 4.459 ( 0.000 2.678 0.000) 2.678 4.518 ( 0.000 -0.118 0.000) 0.118 4.771 ( 0.000 -0.526 0.000) 0.526 4.788 ( 0.000 -1.068 0.000) 1.068 4.867 ( 0.000 -2.873 0.000) 2.873 5.415 ( 0.000 -4.887 0.000) 4.887 5.450 ( 0.000 -0.957 0.000) 0.957 5.760 ( 0.000 -2.093 0.000) 2.093 8.280 ( 0.000 1.801 0.000) 1.801 9.058 ( 0.000 -3.183 0.000) 3.183 9.172 ( 0.000 -10.816 0.000) 10.816 9.247 ( 0.000 -1.673 0.000) 1.673 9.572 ( 0.000 5.332 0.000) 5.332 9.614 ( 0.000 -0.435 0.000) 0.435 10.103 ( 0.000 -0.408 0.000) 0.408 10.336 ( 0.000 0.270 0.000) 0.270 10.698 ( 0.000 6.118 0.000) 6.118 10.744 ( 0.000 -3.233 0.000) 3.233 10.967 ( 0.000 -3.809 0.000) 3.809 10.995 ( 0.000 0.984 0.000) 0.984 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.14 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 18.557 17.507 0.000) 25.512 0.781 ( 17.494 20.779 0.000) 27.162 1.225 ( 29.629 29.531 0.000) 41.832 2.257 ( -5.764 3.060 0.000) 6.526 2.630 ( -8.254 9.016 0.000) 12.223 2.895 ( -7.133 1.852 0.000) 7.370 2.945 ( -1.855 5.853 0.000) 6.139 3.121 ( -9.988 -1.250 0.000) 10.066 3.244 ( -2.731 7.572 0.000) 8.050 3.660 ( 10.550 -2.242 0.000) 10.785 3.679 ( 4.319 0.084 0.000) 4.320 4.042 ( 0.211 -3.244 0.000) 3.251 4.123 ( 0.484 -2.671 0.000) 2.715 4.124 ( -2.188 0.736 0.000) 2.309 4.276 ( -1.973 -2.751 0.000) 3.386 4.296 ( 0.907 -1.927 0.000) 2.129 4.446 ( -0.942 1.730 0.000) 1.970 4.511 ( -0.979 0.443 0.000) 1.075 4.568 ( -5.240 2.809 0.000) 5.946 4.761 ( -2.633 -0.990 0.000) 2.813 5.049 ( 2.257 6.732 0.000) 7.100 5.256 ( -8.728 -1.613 0.000) 8.876 5.585 ( 6.443 -4.326 0.000) 7.760 5.682 ( -2.059 -7.131 0.000) 7.423 8.654 ( 21.206 -22.108 0.000) 30.634 9.063 ( 0.595 -4.197 0.000) 4.239 9.195 ( 2.006 -9.942 0.000) 10.142 9.239 ( -0.512 -2.146 0.000) 2.206 9.586 ( 1.354 5.297 0.000) 5.467 9.632 ( 1.791 -0.416 0.000) 1.839 10.083 ( -2.490 0.539 0.000) 2.547 10.265 ( -6.841 -3.343 0.000) 7.614 10.535 ( -5.742 9.399 0.000) 11.014 10.562 ( -17.269 25.122 0.000) 30.486 10.990 ( 13.490 -2.461 0.000) 13.713 11.173 ( 7.325 -6.951 0.000) 10.098 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.29 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 21.849 11.185 0.000) 24.545 1.169 ( 19.551 12.795 0.000) 23.366 1.849 ( 24.373 16.154 0.000) 29.241 2.136 ( -0.322 4.060 0.000) 4.073 2.388 ( -15.262 9.200 0.000) 17.820 2.691 ( -9.398 0.701 0.000) 9.424 2.907 ( -9.759 -0.914 0.000) 9.801 2.994 ( 3.891 6.659 0.000) 7.712 3.212 ( -1.566 8.301 0.000) 8.447 3.635 ( -10.979 0.137 0.000) 10.980 3.829 ( 6.338 -3.201 0.000) 7.100 4.010 ( 0.363 -2.098 0.000) 2.129 4.145 ( 1.538 -5.347 0.000) 5.564 4.169 ( 1.654 -1.967 0.000) 2.570 4.236 ( 0.612 0.425 0.000) 0.745 4.328 ( 2.710 -0.980 0.000) 2.882 4.433 ( -0.387 0.849 0.000) 0.933 4.476 ( -2.275 0.383 0.000) 2.307 4.513 ( -1.862 4.441 0.000) 4.816 4.685 ( -4.928 -0.566 0.000) 4.960 5.004 ( -4.102 9.443 0.000) 10.295 5.095 ( -7.028 -0.029 0.000) 7.028 5.689 ( 3.876 -6.023 0.000) 7.163 5.699 ( 2.285 -11.065 0.000) 11.298 8.949 ( 9.199 -21.739 0.000) 23.605 9.081 ( 1.087 -6.639 0.000) 6.727 9.237 ( 1.860 -8.297 0.000) 8.503 9.238 ( 0.533 -3.380 0.000) 3.422 9.626 ( 2.622 5.260 0.000) 5.877 9.684 ( 3.130 -0.802 0.000) 3.231 9.992 ( -5.812 6.060 0.000) 8.397 10.104 ( -8.129 -3.985 0.000) 9.054 10.377 ( -2.935 20.791 0.000) 20.997 10.459 ( -2.673 12.575 0.000) 12.856 11.237 ( 10.504 -3.577 0.000) 11.096 11.319 ( 6.707 -5.714 0.000) 8.811 ======================= Grid point 10 (8/112) ======================= q-point: ( 0.43 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 15.222 7.999 0.000) 17.196 1.585 ( 18.375 6.634 0.000) 19.535 1.839 ( -8.080 10.073 0.000) 12.914 2.040 ( -18.722 9.950 0.000) 21.202 2.499 ( 13.200 3.633 0.000) 13.691 2.567 ( -2.565 0.498 0.000) 2.613 2.834 ( 10.062 2.254 0.000) 10.311 3.070 ( 2.332 5.610 0.000) 6.075 3.170 ( -2.507 8.525 0.000) 8.886 3.289 ( -20.821 4.271 0.000) 21.254 3.931 ( 4.356 -3.509 0.000) 5.594 4.006 ( -2.404 -3.757 0.000) 4.461 4.155 ( 0.069 -2.134 0.000) 2.135 4.163 ( 0.012 -5.262 0.000) 5.262 4.328 ( 5.518 1.366 0.000) 5.685 4.391 ( 0.801 -0.586 0.000) 0.993 4.439 ( -0.892 0.936 0.000) 1.293 4.447 ( 3.205 0.880 0.000) 3.324 4.464 ( -2.288 5.299 0.000) 5.772 4.569 ( -6.409 0.267 0.000) 6.415 4.950 ( -0.604 4.530 0.000) 4.570 4.984 ( -3.822 1.672 0.000) 4.172 5.738 ( 1.190 -9.450 0.000) 9.525 5.739 ( 1.164 -7.655 0.000) 7.743 9.066 ( 3.194 -15.897 0.000) 16.215 9.095 ( -0.041 -10.611 0.000) 10.611 9.255 ( 0.824 -4.898 0.000) 4.967 9.261 ( 0.391 -6.505 0.000) 6.517 9.688 ( 3.400 4.767 0.000) 5.855 9.732 ( 0.384 0.496 0.000) 0.627 9.905 ( -1.232 5.649 0.000) 5.782 9.962 ( -5.705 -1.149 0.000) 5.820 10.372 ( 1.350 15.313 0.000) 15.373 10.411 ( -2.268 13.537 0.000) 13.726 11.391 ( 4.551 -4.230 0.000) 6.213 11.414 ( 2.146 -4.835 0.000) 5.290 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.000 25.727 0.000) 25.727 1.144 ( 0.000 28.681 0.000) 28.681 1.676 ( 0.000 36.820 0.000) 36.820 2.412 ( 0.000 7.689 0.000) 7.689 2.923 ( 0.000 12.096 0.000) 12.096 3.047 ( 0.000 3.321 0.000) 3.321 3.140 ( 0.000 10.820 0.000) 10.820 3.234 ( 0.000 -3.546 0.000) 3.546 3.419 ( 0.000 1.105 0.000) 1.105 3.502 ( 0.000 8.908 0.000) 8.908 3.618 ( 0.000 0.580 0.000) 0.580 3.955 ( 0.000 -3.690 0.000) 3.690 4.156 ( 0.000 2.061 0.000) 2.061 4.171 ( 0.000 -0.698 0.000) 0.698 4.212 ( 0.000 -4.974 0.000) 4.974 4.232 ( 0.000 -3.475 0.000) 3.475 4.514 ( 0.000 -0.341 0.000) 0.341 4.529 ( 0.000 4.117 0.000) 4.117 4.759 ( 0.000 -0.537 0.000) 0.537 4.761 ( 0.000 -1.629 0.000) 1.629 4.793 ( 0.000 -4.345 0.000) 4.345 5.283 ( 0.000 -8.194 0.000) 8.194 5.411 ( 0.000 -3.278 0.000) 3.278 5.697 ( 0.000 -4.374 0.000) 4.374 8.331 ( 0.000 3.283 0.000) 3.283 8.934 ( 0.000 -12.012 0.000) 12.012 8.987 ( 0.000 -3.853 0.000) 3.853 9.190 ( 0.000 -4.214 0.000) 4.214 9.610 ( 0.000 0.114 0.000) 0.114 9.674 ( 0.000 3.909 0.000) 3.909 10.075 ( 0.000 -2.873 0.000) 2.873 10.271 ( 0.000 -6.384 0.000) 6.384 10.682 ( 0.000 -2.076 0.000) 2.076 10.880 ( 0.000 10.853 0.000) 10.853 10.882 ( 0.000 -4.075 0.000) 4.075 11.018 ( 0.000 1.237 0.000) 1.237 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 10.341 21.147 0.000) 23.540 1.250 ( 9.875 25.481 0.000) 27.327 1.870 ( 17.803 32.328 0.000) 36.906 2.359 ( -5.081 8.269 0.000) 9.705 2.845 ( -9.232 9.999 0.000) 13.609 2.946 ( -8.264 5.668 0.000) 10.021 3.087 ( -10.230 -2.402 0.000) 10.509 3.114 ( -0.201 10.019 0.000) 10.021 3.432 ( -0.040 10.305 0.000) 10.305 3.612 ( 7.832 -1.709 0.000) 8.016 3.678 ( 3.329 -0.171 0.000) 3.334 3.971 ( 0.335 -3.781 0.000) 3.796 4.115 ( -3.303 1.107 0.000) 3.483 4.127 ( -2.143 -0.352 0.000) 2.172 4.207 ( -0.179 -3.809 0.000) 3.813 4.247 ( 1.534 -2.971 0.000) 3.343 4.484 ( -2.561 1.936 0.000) 3.211 4.521 ( -0.043 0.449 0.000) 0.451 4.636 ( -1.906 4.098 0.000) 4.519 4.734 ( -2.582 -1.632 0.000) 3.055 5.050 ( 11.940 -5.273 0.000) 13.053 5.200 ( -5.925 -4.262 0.000) 7.299 5.468 ( 3.587 -7.188 0.000) 8.033 5.573 ( -10.152 -4.202 0.000) 10.987 8.453 ( 10.128 -2.751 0.000) 10.495 8.927 ( -0.402 -10.101 0.000) 10.109 9.021 ( 2.747 -5.838 0.000) 6.452 9.173 ( -1.342 -4.505 0.000) 4.701 9.626 ( 1.516 -0.119 0.000) 1.520 9.682 ( 0.758 3.326 0.000) 3.411 10.065 ( -1.021 -2.502 0.000) 2.703 10.181 ( -7.006 -4.998 0.000) 8.606 10.699 ( 0.581 5.037 0.000) 5.071 10.843 ( -5.187 6.517 0.000) 8.330 10.979 ( 8.797 3.385 0.000) 9.426 11.051 ( 5.411 -4.076 0.000) 6.774 ======================= Grid point 16 (11/112) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 16.459 13.741 0.000) 21.441 1.496 ( 13.366 19.312 0.000) 23.487 2.225 ( -7.426 11.575 0.000) 13.752 2.307 ( 23.119 21.541 0.000) 31.599 2.590 ( -14.722 8.603 0.000) 17.052 2.750 ( -10.177 6.954 0.000) 12.326 2.895 ( -7.743 0.022 0.000) 7.743 3.156 ( 3.573 9.054 0.000) 9.734 3.420 ( -1.229 12.054 0.000) 12.117 3.646 ( -7.703 1.165 0.000) 7.791 3.747 ( 5.407 -4.978 0.000) 7.350 3.948 ( -1.536 -4.035 0.000) 4.318 4.061 ( -1.459 -2.513 0.000) 2.906 4.128 ( 0.391 -1.955 0.000) 1.993 4.241 ( 4.356 0.149 0.000) 4.359 4.305 ( 4.342 -1.339 0.000) 4.543 4.457 ( -0.818 1.503 0.000) 1.711 4.495 ( -2.090 1.430 0.000) 2.533 4.626 ( -0.140 6.234 0.000) 6.236 4.661 ( -4.566 -1.706 0.000) 4.874 5.088 ( -4.790 -0.864 0.000) 4.867 5.154 ( -3.861 4.588 0.000) 5.996 5.430 ( -0.295 -14.816 0.000) 14.819 5.523 ( 1.677 -10.422 0.000) 10.557 8.659 ( 9.259 -8.433 0.000) 12.524 8.918 ( -0.622 -9.324 0.000) 9.345 9.078 ( 2.640 -6.951 0.000) 7.435 9.149 ( -0.870 -5.429 0.000) 5.498 9.666 ( 2.280 -0.972 0.000) 2.479 9.703 ( 1.243 1.532 0.000) 1.973 10.031 ( -2.310 -0.834 0.000) 2.456 10.048 ( -5.490 -1.869 0.000) 5.799 10.697 ( -0.557 10.326 0.000) 10.341 10.733 ( -4.345 13.725 0.000) 14.396 11.169 ( 8.806 -2.077 0.000) 9.048 11.196 ( 7.393 -5.750 0.000) 9.366 ======================= Grid point 17 (12/112) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 12.219 7.979 0.000) 14.593 1.736 ( 9.056 12.632 0.000) 15.542 2.104 ( -1.863 15.366 0.000) 15.479 2.277 ( -15.541 12.776 0.000) 20.118 2.600 ( 0.945 5.334 0.000) 5.417 2.604 ( -3.233 3.393 0.000) 4.687 2.937 ( 16.214 9.569 0.000) 18.827 3.204 ( -2.341 7.963 0.000) 8.300 3.383 ( -2.178 12.282 0.000) 12.473 3.422 ( -10.606 8.939 0.000) 13.870 3.838 ( 3.853 -6.007 0.000) 7.136 3.906 ( -2.848 -6.116 0.000) 6.747 4.063 ( 1.542 -3.928 0.000) 4.219 4.108 ( -2.268 -2.191 0.000) 3.154 4.350 ( 4.761 1.027 0.000) 4.871 4.392 ( 1.766 0.361 0.000) 1.802 4.453 ( 2.442 -0.086 0.000) 2.444 4.490 ( 3.036 3.540 0.000) 4.664 4.556 ( -5.765 -1.458 0.000) 5.947 4.589 ( -4.343 6.636 0.000) 7.931 5.018 ( -1.945 1.389 0.000) 2.390 5.033 ( -4.209 3.207 0.000) 5.292 5.488 ( 3.313 -15.089 0.000) 15.448 5.531 ( -0.891 -12.875 0.000) 12.906 8.809 ( 5.702 -9.697 0.000) 11.249 8.890 ( -2.494 -9.458 0.000) 9.781 9.119 ( 1.372 -7.222 0.000) 7.352 9.137 ( -0.569 -6.593 0.000) 6.618 9.708 ( 1.661 -2.004 0.000) 2.603 9.722 ( 0.356 -1.139 0.000) 1.193 9.976 ( -1.537 1.483 0.000) 2.136 9.984 ( -1.940 1.665 0.000) 2.556 10.683 ( -0.909 14.350 0.000) 14.379 10.683 ( -0.627 12.820 0.000) 12.836 11.299 ( 3.638 -4.166 0.000) 5.531 11.306 ( 2.904 -5.222 0.000) 5.976 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 24.809 0.000) 24.809 1.697 ( 0.000 27.243 0.000) 27.243 2.220 ( 0.000 16.191 0.000) 16.191 2.706 ( 0.000 23.594 0.000) 23.594 3.104 ( 0.000 3.213 0.000) 3.213 3.116 ( 0.000 -7.341 0.000) 7.341 3.135 ( 0.000 8.153 0.000) 8.153 3.390 ( 0.000 13.101 0.000) 13.101 3.428 ( 0.000 -0.448 0.000) 0.448 3.626 ( 0.000 0.027 0.000) 0.027 3.726 ( 0.000 12.280 0.000) 12.280 3.883 ( 0.000 -3.204 0.000) 3.204 4.108 ( 0.000 -5.333 0.000) 5.333 4.157 ( 0.000 -3.688 0.000) 3.688 4.157 ( 0.000 -0.439 0.000) 0.439 4.191 ( 0.000 1.322 0.000) 1.322 4.505 ( 0.000 -0.530 0.000) 0.530 4.605 ( 0.000 3.092 0.000) 3.092 4.707 ( 0.000 -4.056 0.000) 4.056 4.722 ( 0.000 -2.426 0.000) 2.426 4.760 ( 0.000 1.058 0.000) 1.058 5.112 ( 0.000 -8.395 0.000) 8.395 5.319 ( 0.000 -5.858 0.000) 5.858 5.587 ( 0.000 -6.683 0.000) 6.683 8.405 ( 0.000 4.222 0.000) 4.222 8.730 ( 0.000 -8.267 0.000) 8.267 8.905 ( 0.000 -4.459 0.000) 4.459 9.084 ( 0.000 -6.332 0.000) 6.332 9.618 ( 0.000 0.564 0.000) 0.564 9.699 ( 0.000 -1.408 0.000) 1.408 9.981 ( 0.000 -6.441 0.000) 6.441 10.112 ( 0.000 -9.242 0.000) 9.242 10.697 ( 0.000 3.898 0.000) 3.898 10.832 ( 0.000 -0.724 0.000) 0.724 11.038 ( 0.000 0.596 0.000) 0.596 11.078 ( 0.000 8.528 0.000) 8.528 ======================= Grid point 22 (14/112) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 3.888 21.626 0.000) 21.972 1.756 ( 5.568 25.358 0.000) 25.962 2.321 ( 7.993 12.129 0.000) 14.526 2.689 ( -0.670 24.134 0.000) 24.144 2.945 ( -11.794 3.205 0.000) 12.222 3.032 ( -5.792 -1.713 0.000) 6.040 3.156 ( -2.918 11.226 0.000) 11.599 3.296 ( -4.902 7.269 0.000) 8.767 3.506 ( 5.673 -2.562 0.000) 6.224 3.680 ( 3.066 0.809 0.000) 3.171 3.716 ( -0.927 11.237 0.000) 11.276 3.903 ( 0.482 -2.758 0.000) 2.800 4.112 ( -1.247 -1.490 0.000) 1.943 4.143 ( -4.333 0.981 0.000) 4.443 4.143 ( 2.108 -2.026 0.000) 2.924 4.191 ( 2.931 -2.005 0.000) 3.551 4.517 ( -3.219 1.246 0.000) 3.451 4.521 ( 0.656 -0.624 0.000) 0.905 4.702 ( -2.104 -1.556 0.000) 2.617 4.724 ( 0.636 4.646 0.000) 4.689 4.905 ( 9.591 -8.252 0.000) 12.652 5.091 ( -1.827 -6.382 0.000) 6.639 5.315 ( -0.407 -7.944 0.000) 7.954 5.487 ( -9.386 -5.028 0.000) 10.648 8.458 ( 4.764 2.203 0.000) 5.248 8.737 ( 0.579 -8.045 0.000) 8.066 8.924 ( 1.622 -4.755 0.000) 5.024 9.066 ( -1.533 -6.155 0.000) 6.343 9.626 ( 0.769 0.055 0.000) 0.771 9.694 ( -0.418 -1.856 0.000) 1.902 9.977 ( -0.430 -6.329 0.000) 6.344 10.067 ( -3.528 -6.803 0.000) 7.663 10.759 ( 4.908 3.471 0.000) 6.011 10.888 ( 4.148 0.316 0.000) 4.160 11.037 ( 1.026 1.376 0.000) 1.716 11.107 ( 2.948 7.348 0.000) 7.917 ======================= Grid point 23 (15/112) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 9.524 14.820 0.000) 17.617 1.895 ( 7.313 20.481 0.000) 21.747 2.408 ( -0.367 9.420 0.000) 9.427 2.699 ( -11.438 4.197 0.000) 12.184 2.722 ( 1.160 10.009 0.000) 10.076 2.941 ( -14.578 9.288 0.000) 17.286 2.991 ( 5.349 16.063 0.000) 16.930 3.321 ( 4.327 7.007 0.000) 8.235 3.610 ( 4.354 -1.853 0.000) 4.732 3.690 ( -1.579 7.916 0.000) 8.072 3.691 ( -2.252 3.488 0.000) 4.152 3.868 ( -3.604 -3.289 0.000) 4.880 4.048 ( -3.794 0.909 0.000) 3.902 4.101 ( 0.387 -0.573 0.000) 0.692 4.242 ( 6.534 -0.205 0.000) 6.537 4.277 ( 5.295 -1.447 0.000) 5.490 4.485 ( -1.112 1.118 0.000) 1.576 4.509 ( -1.507 -0.801 0.000) 1.707 4.636 ( -4.232 -0.093 0.000) 4.233 4.742 ( 0.819 5.334 0.000) 5.396 5.054 ( -1.608 -2.646 0.000) 3.096 5.073 ( 6.696 -13.634 0.000) 15.189 5.253 ( -12.443 -1.659 0.000) 12.553 5.300 ( -1.260 -11.523 0.000) 11.591 8.571 ( 5.900 -1.405 0.000) 6.065 8.747 ( 0.194 -7.384 0.000) 7.386 8.960 ( 1.717 -5.443 0.000) 5.707 9.034 ( -1.491 -6.074 0.000) 6.254 9.646 ( 1.070 -1.095 0.000) 1.530 9.685 ( -0.423 -2.599 0.000) 2.633 9.966 ( -0.549 -5.604 0.000) 5.631 10.002 ( -2.583 -3.801 0.000) 4.596 10.846 ( 3.239 5.537 0.000) 6.415 10.923 ( -0.368 6.067 0.000) 6.078 11.127 ( 6.748 -0.914 0.000) 6.810 11.189 ( 4.647 3.714 0.000) 5.949 ======================= Grid point 24 (16/112) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 9.357 9.281 0.000) 13.179 1.995 ( 0.910 12.916 0.000) 12.948 2.404 ( 2.311 14.486 0.000) 14.669 2.517 ( -7.238 11.478 0.000) 13.570 2.667 ( -3.849 1.728 0.000) 4.219 2.683 ( -8.063 3.920 0.000) 8.965 3.225 ( 13.409 18.072 0.000) 22.503 3.387 ( -0.408 9.783 0.000) 9.791 3.614 ( -3.375 9.881 0.000) 10.441 3.628 ( -2.763 11.919 0.000) 12.235 3.705 ( 3.622 -6.851 0.000) 7.750 3.785 ( -4.240 -5.254 0.000) 6.751 4.023 ( 1.471 -0.225 0.000) 1.488 4.081 ( -2.934 -0.349 0.000) 2.954 4.370 ( 5.151 0.800 0.000) 5.213 4.389 ( 5.285 -1.108 0.000) 5.400 4.451 ( -2.162 0.108 0.000) 2.165 4.489 ( -2.063 -3.372 0.000) 3.952 4.578 ( 1.995 3.159 0.000) 3.737 4.705 ( -5.926 4.601 0.000) 7.503 5.028 ( -0.889 -0.466 0.000) 1.004 5.049 ( -4.644 -3.263 0.000) 5.676 5.193 ( 4.185 -12.190 0.000) 12.888 5.261 ( -2.623 -13.609 0.000) 13.859 8.676 ( 4.214 -4.253 0.000) 5.987 8.734 ( -1.640 -6.179 0.000) 6.393 8.988 ( 1.124 -6.023 0.000) 6.127 9.009 ( -1.055 -6.175 0.000) 6.265 9.665 ( 0.806 -2.233 0.000) 2.374 9.677 ( -0.412 -2.798 0.000) 2.828 9.959 ( -0.074 -4.143 0.000) 4.144 9.967 ( -0.975 -3.052 0.000) 3.204 10.889 ( 1.341 8.124 0.000) 8.234 10.909 ( -0.779 8.629 0.000) 8.664 11.241 ( 3.699 -1.023 0.000) 3.838 11.260 ( 1.696 0.495 0.000) 1.767 ======================= Grid point 28 (17/112) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 23.064 0.000) 23.064 2.208 ( 0.000 24.260 0.000) 24.260 2.422 ( 0.000 7.280 0.000) 7.280 2.966 ( 0.000 -7.605 0.000) 7.605 3.164 ( 0.000 13.731 0.000) 13.731 3.179 ( 0.000 4.332 0.000) 4.332 3.215 ( 0.000 -0.040 0.000) 0.040 3.433 ( 0.000 6.315 0.000) 6.315 3.598 ( 0.000 -3.372 0.000) 3.372 3.623 ( 0.000 9.767 0.000) 9.767 3.839 ( 0.000 -1.536 0.000) 1.536 3.949 ( 0.000 9.533 0.000) 9.533 4.018 ( 0.000 -3.105 0.000) 3.105 4.105 ( 0.000 -1.206 0.000) 1.206 4.162 ( 0.000 0.822 0.000) 0.822 4.204 ( 0.000 0.071 0.000) 0.071 4.495 ( 0.000 -0.388 0.000) 0.388 4.633 ( 0.000 -0.147 0.000) 0.147 4.639 ( 0.000 -2.749 0.000) 2.749 4.657 ( 0.000 -4.241 0.000) 4.241 4.813 ( 0.000 4.211 0.000) 4.211 4.982 ( 0.000 -4.244 0.000) 4.244 5.194 ( 0.000 -6.432 0.000) 6.432 5.436 ( 0.000 -8.605 0.000) 8.605 8.494 ( 0.000 4.650 0.000) 4.650 8.615 ( 0.000 -3.448 0.000) 3.448 8.810 ( 0.000 -5.154 0.000) 5.154 8.950 ( 0.000 -7.057 0.000) 7.057 9.628 ( 0.000 0.441 0.000) 0.441 9.645 ( 0.000 -3.061 0.000) 3.061 9.842 ( 0.000 -7.044 0.000) 7.044 9.924 ( 0.000 -9.405 0.000) 9.405 10.822 ( 0.000 8.096 0.000) 8.096 10.849 ( 0.000 2.152 0.000) 2.152 11.038 ( 0.000 -0.619 0.000) 0.619 11.199 ( 0.000 3.532 0.000) 3.532 ======================= Grid point 29 (18/112) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -1.435 19.651 0.000) 19.703 2.234 ( 2.354 22.693 0.000) 22.814 2.504 ( 6.104 8.308 0.000) 10.309 2.861 ( -7.009 -4.243 0.000) 8.193 3.008 ( -11.641 2.964 0.000) 12.012 3.250 ( 6.056 13.143 0.000) 14.471 3.295 ( 3.896 2.185 0.000) 4.466 3.375 ( -13.665 1.023 0.000) 13.704 3.465 ( 3.027 4.509 0.000) 5.431 3.725 ( 3.285 3.163 0.000) 4.561 3.877 ( 1.273 0.506 0.000) 1.369 3.927 ( -1.740 9.087 0.000) 9.252 4.067 ( 5.236 -2.688 0.000) 5.886 4.134 ( 1.106 -0.493 0.000) 1.211 4.138 ( -1.476 1.011 0.000) 1.789 4.192 ( -0.162 1.014 0.000) 1.027 4.498 ( -0.284 -1.325 0.000) 1.355 4.530 ( -3.398 0.106 0.000) 3.400 4.669 ( 0.665 -2.214 0.000) 2.311 4.752 ( 4.278 -6.803 0.000) 8.036 4.817 ( 0.637 4.649 0.000) 4.692 4.976 ( -0.370 -4.482 0.000) 4.497 5.168 ( -2.439 -6.753 0.000) 7.180 5.367 ( -6.441 -7.074 0.000) 9.567 8.519 ( 2.385 3.765 0.000) 4.457 8.624 ( 0.809 -3.385 0.000) 3.481 8.825 ( 1.334 -5.223 0.000) 5.391 8.939 ( -0.991 -6.598 0.000) 6.672 9.626 ( -0.164 -0.055 0.000) 0.173 9.639 ( -0.499 -2.849 0.000) 2.892 9.837 ( -0.402 -7.191 0.000) 7.202 9.912 ( -1.029 -8.494 0.000) 8.556 10.869 ( 4.130 7.302 0.000) 8.389 10.910 ( 5.255 1.995 0.000) 5.621 11.058 ( 2.167 0.391 0.000) 2.202 11.218 ( 1.820 3.411 0.000) 3.866 ======================= Grid point 30 (19/112) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 3.316 14.186 0.000) 14.568 2.278 ( 1.017 17.826 0.000) 17.855 2.580 ( 0.663 6.263 0.000) 6.298 2.768 ( -1.614 1.313 0.000) 2.081 2.780 ( -9.348 3.855 0.000) 10.112 3.065 ( -15.290 3.710 0.000) 15.733 3.380 ( 6.523 9.587 0.000) 11.595 3.399 ( 5.156 0.161 0.000) 5.159 3.547 ( 5.285 6.300 0.000) 8.223 3.757 ( 0.329 2.533 0.000) 2.554 3.867 ( -1.902 3.941 0.000) 4.376 3.890 ( -2.031 8.961 0.000) 9.188 4.084 ( -3.821 2.545 0.000) 4.591 4.110 ( -0.133 1.318 0.000) 1.324 4.217 ( 7.583 -2.907 0.000) 8.121 4.254 ( 4.685 -0.748 0.000) 4.745 4.473 ( -2.014 -1.618 0.000) 2.584 4.494 ( -1.169 -0.348 0.000) 1.220 4.653 ( -2.399 0.935 0.000) 2.575 4.802 ( 0.383 -12.146 0.000) 12.152 4.834 ( 1.194 3.770 0.000) 3.954 4.982 ( 1.170 -4.505 0.000) 4.655 5.103 ( -3.817 -7.589 0.000) 8.495 5.207 ( -8.279 -3.583 0.000) 9.021 8.577 ( 3.055 1.663 0.000) 3.478 8.642 ( 0.858 -3.101 0.000) 3.217 8.855 ( 1.409 -5.286 0.000) 5.471 8.916 ( -1.122 -5.789 0.000) 5.897 9.624 ( -0.030 -1.030 0.000) 1.031 9.630 ( -0.291 -2.386 0.000) 2.403 9.832 ( 0.020 -7.312 0.000) 7.312 9.888 ( -1.328 -7.273 0.000) 7.393 10.960 ( 4.324 6.467 0.000) 7.779 11.006 ( 3.280 3.275 0.000) 4.635 11.139 ( 5.767 1.108 0.000) 5.872 11.263 ( 2.332 2.738 0.000) 3.596 ======================= Grid point 31 (20/112) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 6.948 9.982 0.000) 12.162 2.231 ( -5.741 10.905 0.000) 12.324 2.601 ( 3.202 1.769 0.000) 3.658 2.677 ( -2.053 2.140 0.000) 2.966 2.748 ( -1.109 10.142 0.000) 10.203 2.798 ( -9.530 10.267 0.000) 14.008 3.478 ( 2.710 -1.235 0.000) 2.978 3.483 ( 2.343 -2.328 0.000) 3.303 3.680 ( 7.202 11.963 0.000) 13.964 3.766 ( 0.823 5.391 0.000) 5.454 3.808 ( -3.409 8.947 0.000) 9.575 3.835 ( -3.405 8.815 0.000) 9.450 4.047 ( 0.909 2.486 0.000) 2.646 4.095 ( -2.182 1.467 0.000) 2.629 4.345 ( 3.803 -3.143 0.000) 4.933 4.350 ( 4.468 -4.103 0.000) 6.066 4.438 ( -0.910 -0.296 0.000) 0.957 4.459 ( -2.255 0.581 0.000) 2.328 4.616 ( 0.795 0.291 0.000) 0.846 4.717 ( -7.181 -5.779 0.000) 9.217 4.905 ( 4.846 -3.984 0.000) 6.274 4.997 ( -2.546 -2.837 0.000) 3.812 5.037 ( -0.123 -8.029 0.000) 8.030 5.083 ( -3.863 -3.068 0.000) 4.933 8.629 ( 1.915 -0.624 0.000) 2.014 8.651 ( -0.208 -2.286 0.000) 2.295 8.878 ( 0.963 -5.217 0.000) 5.305 8.896 ( -0.889 -5.295 0.000) 5.369 9.625 ( 0.100 -1.735 0.000) 1.738 9.627 ( -0.101 -2.054 0.000) 2.056 9.840 ( 0.806 -7.127 0.000) 7.172 9.861 ( -1.252 -6.926 0.000) 7.039 11.026 ( 2.070 6.309 0.000) 6.640 11.042 ( 0.468 5.460 0.000) 5.480 11.249 ( 4.235 0.967 0.000) 4.344 11.292 ( -0.044 1.630 0.000) 1.631 ======================= Grid point 35 (21/112) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 20.006 0.000) 20.006 2.550 ( 0.000 6.056 0.000) 6.056 2.642 ( 0.000 19.475 0.000) 19.475 2.825 ( 0.000 -6.415 0.000) 6.415 3.107 ( 0.000 -11.322 0.000) 11.322 3.150 ( 0.000 -6.245 0.000) 6.245 3.273 ( 0.000 5.239 0.000) 5.239 3.502 ( 0.000 -5.823 0.000) 5.823 3.738 ( 0.000 1.795 0.000) 1.795 3.751 ( 0.000 17.213 0.000) 17.213 3.799 ( 0.000 -2.663 0.000) 2.663 4.024 ( 0.000 3.973 0.000) 3.973 4.061 ( 0.000 0.994 0.000) 0.994 4.116 ( 0.000 2.224 0.000) 2.224 4.170 ( 0.000 -0.649 0.000) 0.649 4.206 ( 0.000 0.172 0.000) 0.172 4.493 ( 0.000 0.273 0.000) 0.273 4.570 ( 0.000 -4.000 0.000) 4.000 4.600 ( 0.000 -1.245 0.000) 1.245 4.613 ( 0.000 -1.499 0.000) 1.499 4.918 ( 0.000 6.492 0.000) 6.492 4.950 ( 0.000 0.756 0.000) 0.756 5.079 ( 0.000 -5.064 0.000) 5.064 5.254 ( 0.000 -9.554 0.000) 9.554 8.588 ( 0.000 0.503 0.000) 0.503 8.588 ( 0.000 4.974 0.000) 4.974 8.709 ( 0.000 -4.873 0.000) 4.873 8.813 ( 0.000 -6.608 0.000) 6.608 9.607 ( 0.000 -0.301 0.000) 0.301 9.637 ( 0.000 0.594 0.000) 0.594 9.724 ( 0.000 -4.654 0.000) 4.654 9.755 ( 0.000 -7.427 0.000) 7.427 10.904 ( 0.000 3.132 0.000) 3.132 10.990 ( 0.000 8.396 0.000) 8.396 11.013 ( 0.000 -1.924 0.000) 1.924 11.215 ( 0.000 -1.779 0.000) 1.779 ======================= Grid point 36 (22/112) ======================= q-point: ( 0.14 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -5.985 14.775 0.000) 15.941 2.637 ( -0.810 17.840 0.000) 17.858 2.647 ( 0.927 2.641 0.000) 2.799 2.782 ( 1.446 0.875 0.000) 1.690 3.038 ( -9.989 -1.069 0.000) 10.046 3.187 ( 5.810 -10.132 0.000) 11.680 3.285 ( 1.395 -1.231 0.000) 1.860 3.354 ( -11.029 -2.593 0.000) 11.330 3.768 ( 2.432 1.689 0.000) 2.961 3.781 ( 2.917 16.868 0.000) 17.119 3.897 ( 6.133 -1.437 0.000) 6.299 4.039 ( 1.894 1.905 0.000) 2.687 4.046 ( -1.043 2.632 0.000) 2.831 4.143 ( 1.582 1.139 0.000) 1.949 4.155 ( -1.352 -0.178 0.000) 1.364 4.209 ( 0.601 0.540 0.000) 0.808 4.488 ( -0.332 0.698 0.000) 0.773 4.530 ( -3.862 0.262 0.000) 3.871 4.605 ( 2.700 -4.020 0.000) 4.843 4.636 ( -0.288 -4.981 0.000) 4.989 4.918 ( -0.139 5.810 0.000) 5.811 4.937 ( -1.186 0.520 0.000) 1.295 5.055 ( -2.251 -4.729 0.000) 5.237 5.214 ( -3.866 -8.293 0.000) 9.150 8.598 ( 0.972 0.616 0.000) 1.151 8.601 ( 1.198 4.525 0.000) 4.681 8.723 ( 1.286 -4.911 0.000) 5.077 8.812 ( -0.169 -6.160 0.000) 6.162 9.606 ( -0.092 -0.115 0.000) 0.148 9.627 ( -0.841 0.339 0.000) 0.907 9.715 ( -0.741 -4.868 0.000) 4.924 9.753 ( -0.238 -7.214 0.000) 7.218 10.960 ( 5.008 2.812 0.000) 5.743 11.023 ( 3.060 7.864 0.000) 8.438 11.049 ( 3.534 -1.224 0.000) 3.740 11.235 ( 1.842 -1.615 0.000) 2.450 ======================= Grid point 37 (23/112) ======================= q-point: ( 0.29 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.755 11.727 0.000) 11.751 2.577 ( -3.610 -4.891 0.000) 6.079 2.581 ( -5.663 12.549 0.000) 13.767 2.827 ( -9.621 0.106 0.000) 9.622 2.895 ( 5.904 9.969 0.000) 11.586 3.127 ( -9.059 3.598 0.000) 9.748 3.292 ( 4.308 -8.739 0.000) 9.744 3.338 ( 2.421 -5.370 0.000) 5.890 3.820 ( 2.917 4.452 0.000) 5.323 3.863 ( 4.970 14.951 0.000) 15.755 3.967 ( 1.086 4.237 0.000) 4.374 4.022 ( -1.498 4.405 0.000) 4.653 4.120 ( 3.973 -4.825 0.000) 6.250 4.130 ( 0.752 -0.953 0.000) 1.214 4.138 ( -1.944 2.744 0.000) 3.362 4.242 ( 2.184 -0.851 0.000) 2.344 4.475 ( -1.295 -0.923 0.000) 1.590 4.481 ( -0.456 2.509 0.000) 2.550 4.606 ( -2.222 -7.513 0.000) 7.834 4.639 ( -0.156 -2.826 0.000) 2.830 4.909 ( -0.675 3.985 0.000) 4.041 4.917 ( -0.258 -0.988 0.000) 1.021 4.998 ( -3.135 -3.793 0.000) 4.921 5.114 ( -5.498 -5.571 0.000) 7.827 8.622 ( 1.242 0.883 0.000) 1.524 8.629 ( 1.293 3.410 0.000) 3.647 8.753 ( 1.524 -4.884 0.000) 5.116 8.807 ( -0.342 -5.294 0.000) 5.305 9.605 ( -0.022 0.069 0.000) 0.072 9.611 ( -0.664 -0.104 0.000) 0.672 9.703 ( -0.263 -5.324 0.000) 5.331 9.743 ( -0.719 -6.728 0.000) 6.767 11.068 ( 4.885 3.007 0.000) 5.736 11.095 ( 3.512 6.822 0.000) 7.672 11.147 ( 5.779 -0.467 0.000) 5.798 11.278 ( 2.026 -1.347 0.000) 2.433 ======================= Grid point 38 (24/112) ======================= q-point: ( 0.43 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 4.879 9.188 0.000) 10.403 2.424 ( -8.472 8.670 0.000) 12.122 2.559 ( 2.154 -4.302 0.000) 4.812 2.659 ( -7.231 -2.971 0.000) 7.818 2.979 ( 2.522 11.454 0.000) 11.728 3.018 ( -2.434 10.762 0.000) 11.034 3.355 ( 1.934 -7.930 0.000) 8.163 3.370 ( 0.487 -7.413 0.000) 7.429 3.893 ( 4.204 6.747 0.000) 7.950 3.948 ( 2.252 10.648 0.000) 10.884 3.972 ( -0.178 6.529 0.000) 6.531 3.977 ( -2.952 5.846 0.000) 6.549 4.105 ( -0.344 2.924 0.000) 2.944 4.114 ( -0.522 -0.033 0.000) 0.523 4.226 ( 3.839 -7.551 0.000) 8.471 4.266 ( -0.232 -4.891 0.000) 4.896 4.469 ( 0.183 0.520 0.000) 0.551 4.472 ( -0.270 3.304 0.000) 3.315 4.571 ( -0.573 -5.608 0.000) 5.638 4.599 ( -2.849 -1.590 0.000) 3.262 4.902 ( 0.438 1.351 0.000) 1.420 4.929 ( -0.914 -2.291 0.000) 2.467 4.950 ( 0.842 -2.752 0.000) 2.878 5.013 ( -4.295 -3.907 0.000) 5.806 8.643 ( 0.680 1.341 0.000) 1.503 8.646 ( 0.370 2.193 0.000) 2.224 8.780 ( 1.104 -4.737 0.000) 4.864 8.797 ( -0.636 -4.768 0.000) 4.810 9.603 ( -0.091 -0.236 0.000) 0.252 9.604 ( -0.081 -0.060 0.000) 0.101 9.707 ( 0.662 -5.786 0.000) 5.824 9.725 ( -1.012 -6.228 0.000) 6.310 11.139 ( 2.025 4.465 0.000) 4.903 11.146 ( 1.273 5.783 0.000) 5.922 11.253 ( 4.133 -0.816 0.000) 4.213 11.299 ( -0.382 -1.156 0.000) 1.218 ======================= Grid point 42 (25/112) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 -3.132 0.000) 3.132 2.657 ( 0.000 3.132 0.000) 3.132 2.836 ( 0.000 -13.888 0.000) 13.888 2.836 ( 0.000 13.888 0.000) 13.888 2.964 ( 0.000 -12.920 0.000) 12.920 2.964 ( 0.000 12.920 0.000) 12.920 3.384 ( 0.000 -5.914 0.000) 5.914 3.384 ( 0.000 5.914 0.000) 5.914 3.755 ( 0.000 -1.290 0.000) 1.290 3.755 ( 0.000 1.290 0.000) 1.290 3.996 ( 0.000 -7.441 0.000) 7.441 3.996 ( 0.000 7.441 0.000) 7.441 4.120 ( 0.000 -4.362 0.000) 4.362 4.120 ( 0.000 4.362 0.000) 4.362 4.178 ( 0.000 -3.219 0.000) 3.219 4.178 ( 0.000 3.219 0.000) 3.219 4.512 ( 0.000 -1.852 0.000) 1.852 4.512 ( 0.000 1.852 0.000) 1.852 4.591 ( 0.000 -0.409 0.000) 0.409 4.591 ( 0.000 0.409 0.000) 0.409 4.995 ( 0.000 -3.420 0.000) 3.420 4.995 ( 0.000 3.420 0.000) 3.420 5.070 ( 0.000 -8.807 0.000) 8.807 5.070 ( 0.000 8.807 0.000) 8.807 8.627 ( 0.000 -3.251 0.000) 3.251 8.627 ( 0.000 3.251 0.000) 3.251 8.692 ( 0.000 -5.672 0.000) 5.672 8.692 ( 0.000 5.672 0.000) 5.672 9.642 ( 0.000 -3.832 0.000) 3.832 9.642 ( 0.000 3.832 0.000) 3.832 9.660 ( 0.000 -1.968 0.000) 1.968 9.660 ( 0.000 1.968 0.000) 1.968 10.964 ( 0.000 -2.883 0.000) 2.883 10.964 ( 0.000 2.883 0.000) 2.883 11.136 ( 0.000 -6.030 0.000) 6.030 11.136 ( 0.000 6.030 0.000) 6.030 ======================= Grid point 44 (26/112) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -6.930 -9.088 0.000) 11.428 2.545 ( -6.930 9.088 0.000) 11.428 2.922 ( -4.666 -10.684 0.000) 11.659 2.922 ( -4.666 10.684 0.000) 11.659 2.958 ( 8.037 -12.137 0.000) 14.557 2.958 ( 8.037 12.137 0.000) 14.557 3.298 ( -5.893 -2.416 0.000) 6.369 3.298 ( -5.893 2.416 0.000) 6.369 3.823 ( 5.290 -4.037 0.000) 6.654 3.823 ( 5.290 4.037 0.000) 6.654 4.012 ( 1.400 -6.395 0.000) 6.547 4.012 ( 1.400 6.395 0.000) 6.547 4.115 ( -0.588 -3.765 0.000) 3.811 4.115 ( -0.588 3.765 0.000) 3.811 4.188 ( 0.888 -2.790 0.000) 2.927 4.188 ( 0.888 2.790 0.000) 2.927 4.529 ( 1.491 -3.264 0.000) 3.588 4.529 ( 1.491 3.264 0.000) 3.588 4.557 ( -3.044 -2.772 0.000) 4.117 4.557 ( -3.044 2.772 0.000) 4.117 4.978 ( -1.637 -3.140 0.000) 3.541 4.978 ( -1.637 3.140 0.000) 3.541 5.052 ( -1.784 -7.763 0.000) 7.966 5.052 ( -1.784 7.763 0.000) 7.966 8.640 ( 1.180 -3.358 0.000) 3.559 8.640 ( 1.180 3.358 0.000) 3.559 8.698 ( 0.518 -5.333 0.000) 5.358 8.698 ( 0.518 5.333 0.000) 5.358 9.642 ( -0.011 -3.810 0.000) 3.810 9.642 ( -0.011 3.810 0.000) 3.810 9.648 ( -1.010 -2.012 0.000) 2.251 9.648 ( -1.010 2.012 0.000) 2.251 11.013 ( 4.447 -2.409 0.000) 5.058 11.013 ( 4.447 2.409 0.000) 5.058 11.161 ( 2.292 -5.688 0.000) 6.132 11.161 ( 2.292 5.688 0.000) 6.132 ======================= Grid point 46 (27/112) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -2.782 -8.585 0.000) 9.025 2.442 ( -2.782 8.585 0.000) 9.025 2.767 ( -10.010 -6.266 0.000) 11.809 2.767 ( -10.010 6.266 0.000) 11.809 3.101 ( 5.804 -10.403 0.000) 11.913 3.101 ( 5.804 10.403 0.000) 11.913 3.222 ( -1.539 -5.797 0.000) 5.998 3.222 ( -1.539 5.797 0.000) 5.998 3.932 ( 5.204 -6.257 0.000) 8.139 3.932 ( 5.204 6.257 0.000) 8.139 4.042 ( 1.243 -3.333 0.000) 3.557 4.042 ( 1.243 3.333 0.000) 3.557 4.100 ( -0.601 -2.431 0.000) 2.504 4.100 ( -0.601 2.431 0.000) 2.504 4.202 ( -0.105 -3.391 0.000) 3.392 4.202 ( -0.105 3.391 0.000) 3.392 4.496 ( -2.088 -3.567 0.000) 4.134 4.496 ( -2.088 3.567 0.000) 4.134 4.557 ( 0.873 -4.702 0.000) 4.782 4.557 ( 0.873 4.702 0.000) 4.782 4.937 ( -2.017 -2.393 0.000) 3.129 4.937 ( -2.017 2.393 0.000) 3.129 5.002 ( -3.028 -5.456 0.000) 6.240 5.002 ( -3.028 5.456 0.000) 6.240 8.668 ( 1.502 -3.541 0.000) 3.846 8.668 ( 1.502 3.541 0.000) 3.846 8.708 ( 0.374 -4.608 0.000) 4.623 8.708 ( 0.374 4.608 0.000) 4.623 9.629 ( -0.682 -2.186 0.000) 2.290 9.629 ( -0.682 2.186 0.000) 2.290 9.640 ( -0.243 -3.558 0.000) 3.567 9.640 ( -0.243 3.558 0.000) 3.567 11.120 ( 5.602 -2.134 0.000) 5.995 11.120 ( 5.602 2.134 0.000) 5.995 11.214 ( 2.562 -4.937 0.000) 5.563 11.214 ( 2.562 4.937 0.000) 5.563 ======================= Grid point 48 (28/112) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.320 -7.070 0.000) 7.810 2.446 ( 3.320 7.070 0.000) 7.810 2.570 ( -8.638 -6.037 0.000) 10.539 2.570 ( -8.638 6.037 0.000) 10.539 3.185 ( 2.536 -9.446 0.000) 9.780 3.185 ( 2.536 9.446 0.000) 9.780 3.210 ( -0.375 -8.800 0.000) 8.808 3.210 ( -0.375 8.800 0.000) 8.808 4.019 ( 3.042 -4.198 0.000) 5.184 4.019 ( 3.042 4.198 0.000) 5.184 4.051 ( -0.451 -0.169 0.000) 0.481 4.051 ( -0.451 0.169 0.000) 0.481 4.108 ( 1.866 -1.852 0.000) 2.629 4.108 ( 1.866 1.852 0.000) 2.629 4.167 ( -3.106 -4.235 0.000) 5.252 4.167 ( -3.106 4.235 0.000) 5.252 4.499 ( 2.166 -2.649 0.000) 3.422 4.499 ( 2.166 2.649 0.000) 3.422 4.548 ( -1.851 -3.679 0.000) 4.118 4.548 ( -1.851 3.679 0.000) 4.118 4.914 ( 0.073 -0.658 0.000) 0.662 4.914 ( 0.073 0.658 0.000) 0.662 4.943 ( -2.521 -2.894 0.000) 3.838 4.943 ( -2.521 2.894 0.000) 3.838 8.695 ( 1.079 -3.711 0.000) 3.865 8.695 ( 1.079 3.711 0.000) 3.865 8.709 ( -0.331 -4.015 0.000) 4.029 8.709 ( -0.331 4.015 0.000) 4.029 9.624 ( 0.180 -2.550 0.000) 2.557 9.624 ( 0.180 2.550 0.000) 2.557 9.632 ( -0.481 -3.054 0.000) 3.092 9.632 ( -0.481 3.054 0.000) 3.092 11.214 ( 3.346 -3.045 0.000) 4.525 11.214 ( 3.346 3.045 0.000) 4.525 11.246 ( 0.218 -4.080 0.000) 4.086 11.246 ( 0.218 4.080 0.000) 4.086 ======================= Grid point 91 (29/112) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 0.000 26.326) 26.326 0.550 ( 0.000 0.000 29.159) 29.159 0.747 ( 0.000 0.000 39.290) 39.290 2.414 ( 0.000 0.000 12.364) 12.364 2.540 ( 0.000 0.000 -8.591) 8.591 2.860 ( 0.000 0.000 -18.374) 18.374 2.865 ( 0.000 0.000 2.770) 2.770 3.149 ( 0.000 0.000 0.199) 0.199 3.364 ( 0.000 0.000 -9.421) 9.421 3.579 ( 0.000 0.000 13.550) 13.550 3.650 ( 0.000 0.000 3.148) 3.148 4.035 ( 0.000 0.000 -0.605) 0.605 4.049 ( 0.000 0.000 -4.113) 4.113 4.193 ( 0.000 0.000 0.598) 0.598 4.301 ( 0.000 0.000 -0.303) 0.303 4.422 ( 0.000 0.000 -6.214) 6.214 4.472 ( 0.000 0.000 3.889) 3.889 4.613 ( 0.000 0.000 3.542) 3.542 4.733 ( 0.000 0.000 -3.927) 3.927 4.816 ( 0.000 0.000 1.443) 1.443 4.834 ( 0.000 0.000 -6.152) 6.152 5.266 ( 0.000 0.000 -1.186) 1.186 5.502 ( 0.000 0.000 3.804) 3.804 5.886 ( 0.000 0.000 -1.315) 1.315 8.269 ( 0.000 0.000 0.987) 0.987 9.108 ( 0.000 0.000 1.496) 1.496 9.137 ( 0.000 0.000 -12.153) 12.153 9.523 ( 0.000 0.000 1.394) 1.394 9.525 ( 0.000 0.000 -5.755) 5.755 9.752 ( 0.000 0.000 -1.254) 1.254 9.940 ( 0.000 0.000 11.871) 11.871 10.114 ( 0.000 0.000 0.967) 0.967 10.298 ( 0.000 0.000 -1.168) 1.168 10.738 ( 0.000 0.000 -3.954) 3.954 11.050 ( 0.000 0.000 3.824) 3.824 11.313 ( 0.000 0.000 -0.508) 0.508 ======================= Grid point 92 (30/112) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 19.429 0.000 15.206) 24.672 0.757 ( 17.620 0.000 20.987) 27.403 1.175 ( 32.011 0.000 25.377) 40.850 2.345 ( -6.334 0.000 12.155) 13.707 2.499 ( -4.984 0.000 -4.787) 6.910 2.722 ( -10.172 0.000 -15.476) 18.520 2.844 ( -0.890 0.000 -0.389) 0.971 3.142 ( -0.853 0.000 -0.228) 0.883 3.301 ( -12.329 0.000 9.473) 15.548 3.528 ( 7.449 0.000 -9.449) 12.032 3.807 ( 6.427 0.000 5.776) 8.641 4.010 ( -3.297 0.000 -4.859) 5.872 4.077 ( 3.866 0.000 -0.866) 3.962 4.161 ( -2.384 0.000 -1.755) 2.960 4.254 ( -2.647 0.000 0.586) 2.711 4.412 ( -0.964 0.000 -5.866) 5.945 4.468 ( -0.376 0.000 3.898) 3.916 4.544 ( -5.211 0.000 5.740) 7.752 4.599 ( -1.378 0.000 3.593) 3.848 4.775 ( -2.846 0.000 0.565) 2.902 4.956 ( -1.000 0.000 4.979) 5.079 5.176 ( -4.683 0.000 -7.639) 8.960 5.617 ( 6.306 0.000 -0.669) 6.341 5.782 ( -3.951 0.000 -0.659) 4.006 8.649 ( 19.225 0.000 -22.623) 29.688 9.096 ( -0.272 0.000 -5.704) 5.710 9.183 ( 3.548 0.000 -3.780) 5.185 9.518 ( -0.741 0.000 -4.531) 4.591 9.535 ( 1.142 0.000 1.292) 1.724 9.740 ( -1.122 0.000 -1.048) 1.535 9.920 ( -0.783 0.000 16.177) 16.196 10.126 ( 1.093 0.000 0.776) 1.340 10.291 ( -0.737 0.000 -1.101) 1.325 10.572 ( -13.900 0.000 6.214) 15.226 11.113 ( 7.253 0.000 6.124) 9.492 11.261 ( 1.905 0.000 0.206) 1.916 ======================= Grid point 93 (31/112) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 22.172 0.000 8.771) 23.844 1.163 ( 21.509 0.000 13.200) 25.237 1.820 ( 26.258 0.000 13.317) 29.442 2.205 ( -3.183 0.000 11.120) 11.567 2.313 ( -13.300 0.000 1.931) 13.439 2.549 ( -5.806 0.000 -10.916) 12.364 2.869 ( 3.309 0.000 -5.019) 6.012 3.031 ( -13.255 0.000 7.739) 15.348 3.110 ( -2.340 0.000 -1.636) 2.856 3.602 ( -7.255 0.000 -3.222) 7.939 3.839 ( 2.314 0.000 -5.083) 5.585 4.022 ( 4.026 0.000 1.618) 4.339 4.114 ( -2.131 0.000 -4.107) 4.627 4.172 ( 5.138 0.000 -1.609) 5.384 4.246 ( 1.815 0.000 0.004) 1.815 4.385 ( -1.723 0.000 -5.071) 5.356 4.461 ( -0.118 0.000 4.057) 4.059 4.468 ( -3.394 0.000 7.888) 8.587 4.560 ( -2.379 0.000 3.777) 4.464 4.694 ( -5.095 0.000 0.630) 5.134 4.899 ( -2.386 0.000 2.438) 3.411 5.073 ( -5.704 0.000 -2.417) 6.195 5.713 ( 3.422 0.000 -3.818) 5.127 5.759 ( 0.437 0.000 -5.496) 5.513 8.899 ( 7.658 0.000 -19.996) 21.412 9.096 ( -0.127 0.000 -9.442) 9.442 9.269 ( 4.820 0.000 0.306) 4.830 9.494 ( -1.731 0.000 -1.620) 2.370 9.567 ( 2.022 0.000 1.000) 2.256 9.708 ( -1.976 0.000 -0.556) 2.053 9.935 ( 2.325 0.000 16.953) 17.112 10.156 ( 1.823 0.000 0.334) 1.853 10.269 ( -1.401 0.000 -0.903) 1.667 10.316 ( -10.832 0.000 11.013) 15.447 11.286 ( 8.416 0.000 0.720) 8.447 11.355 ( 5.555 0.000 -2.732) 6.190 ======================= Grid point 94 (32/112) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 17.975 0.000 8.438) 19.857 1.593 ( 20.933 0.000 8.852) 22.728 1.838 ( -12.613 0.000 9.805) 15.976 1.990 ( -18.315 0.000 5.710) 19.184 2.493 ( 9.510 0.000 -3.068) 9.993 2.530 ( 6.399 0.000 2.828) 6.996 2.867 ( 5.134 0.000 4.571) 6.874 2.955 ( 4.800 0.000 -5.311) 7.158 3.046 ( -3.999 0.000 -3.649) 5.413 3.263 ( -22.740 0.000 1.889) 22.819 3.940 ( 5.216 0.000 -4.459) 6.862 4.028 ( -3.446 0.000 -2.572) 4.300 4.150 ( 5.497 0.000 0.482) 5.518 4.254 ( -3.268 0.000 1.244) 3.497 4.269 ( 4.300 0.000 -2.748) 5.103 4.340 ( -2.791 0.000 -3.964) 4.848 4.455 ( 3.788 0.000 4.245) 5.690 4.471 ( 1.230 0.000 4.173) 4.351 4.510 ( -2.462 0.000 4.075) 4.761 4.574 ( -6.631 0.000 1.588) 6.819 4.893 ( 1.840 0.000 -0.193) 1.850 4.963 ( -4.832 0.000 -0.298) 4.841 5.759 ( 1.292 0.000 -6.019) 6.156 5.769 ( 0.216 0.000 -6.629) 6.632 9.012 ( 4.233 0.000 -15.501) 16.069 9.076 ( -2.080 0.000 -12.476) 12.648 9.366 ( 4.597 0.000 1.725) 4.910 9.445 ( -3.188 0.000 0.992) 3.338 9.613 ( 2.473 0.000 0.559) 2.535 9.663 ( -2.446 0.000 0.019) 2.446 10.009 ( 4.979 0.000 14.803) 15.617 10.134 ( -7.513 0.000 12.620) 14.688 10.195 ( 2.071 0.000 -0.156) 2.077 10.236 ( -1.890 0.000 -0.583) 1.978 11.415 ( 4.003 0.000 -2.274) 4.603 11.436 ( 1.865 0.000 -3.025) 3.553 ======================= Grid point 98 (33/112) ======================= q-point: ( 0.00 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 0.000 16.831 13.723) 21.717 0.707 ( 0.000 18.585 17.885) 25.793 1.243 ( 0.000 34.108 28.129) 44.210 2.428 ( 0.000 1.768 11.448) 11.584 2.609 ( 0.000 6.448 -10.202) 12.069 2.846 ( 0.000 0.338 -14.961) 14.965 2.952 ( 0.000 7.629 1.594) 7.794 3.202 ( 0.000 4.700 -0.616) 4.741 3.383 ( 0.000 2.453 -6.231) 6.697 3.577 ( 0.000 0.084 13.502) 13.502 3.637 ( 0.000 -1.207 2.384) 2.673 4.011 ( 0.000 -2.431 -0.508) 2.483 4.062 ( 0.000 1.264 -4.188) 4.375 4.174 ( 0.000 -6.830 -2.208) 7.178 4.193 ( 0.000 -0.004 0.282) 0.282 4.444 ( 0.000 0.210 -5.244) 5.248 4.492 ( 0.000 -6.270 7.273) 9.602 4.494 ( 0.000 2.002 3.366) 3.916 4.731 ( 0.000 -0.076 -3.569) 3.570 4.805 ( 0.000 -0.995 1.563) 1.853 4.821 ( 0.000 -1.170 -4.635) 4.780 5.364 ( 0.000 3.591 -5.715) 6.750 5.451 ( 0.000 -5.054 3.640) 6.229 5.816 ( 0.000 -4.865 1.996) 5.258 8.289 ( 0.000 1.909 1.083) 2.195 9.050 ( 0.000 -7.009 -9.664) 11.938 9.070 ( 0.000 -3.320 1.338) 3.579 9.341 ( 0.000 -8.417 2.564) 8.799 9.584 ( 0.000 5.182 1.305) 5.344 9.702 ( 0.000 -3.396 8.091) 8.775 10.111 ( 0.000 -0.573 0.769) 0.959 10.155 ( 0.000 7.416 -12.591) 14.613 10.549 ( 0.000 17.082 -4.445) 17.651 10.710 ( 0.000 -2.508 -3.171) 4.043 11.010 ( 0.000 -3.659 3.958) 5.390 11.164 ( 0.000 -8.665 6.368) 10.754 ======================= Grid point 99 (34/112) ======================= q-point: ( 0.14 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 16.888 13.731 8.596) 23.402 0.912 ( 17.063 13.737 14.279) 26.148 1.488 ( 22.079 26.866 22.793) 41.579 2.360 ( -6.323 1.835 10.455) 12.355 2.580 ( -4.156 7.023 -6.342) 10.336 2.732 ( -8.920 1.887 -13.527) 16.313 2.908 ( -2.326 6.002 -0.692) 6.474 3.200 ( -1.553 4.954 1.097) 5.306 3.313 ( -10.696 1.947 8.021) 13.510 3.536 ( 6.904 0.932 -8.172) 10.738 3.788 ( 5.716 -1.835 5.720) 8.292 4.009 ( -3.567 -0.465 -3.377) 4.933 4.049 ( 2.410 -2.066 -1.974) 3.738 4.160 ( -0.822 -2.112 -3.365) 4.057 4.180 ( -0.302 -2.786 1.369) 3.119 4.417 ( -1.842 -0.356 -4.062) 4.474 4.480 ( -1.121 -4.502 7.657) 8.953 4.494 ( -0.267 1.915 2.138) 2.882 4.599 ( -3.537 1.699 1.217) 4.108 4.768 ( -2.609 -0.734 0.673) 2.793 5.032 ( 6.644 1.818 -3.303) 7.639 5.186 ( -10.031 1.335 -4.224) 10.966 5.572 ( 5.626 -4.481 -1.006) 7.263 5.718 ( -5.624 -5.152 2.076) 7.904 8.516 ( 15.593 -7.874 -8.680) 19.506 9.020 ( -1.130 -5.995 -6.291) 8.763 9.130 ( 3.936 -4.527 -1.401) 6.160 9.338 ( -0.122 -8.868 2.683) 9.265 9.595 ( 1.079 4.824 1.176) 5.081 9.718 ( 1.428 -2.679 7.238) 7.849 10.046 ( -4.499 2.701 -3.577) 6.351 10.178 ( 0.942 3.233 -3.439) 4.814 10.508 ( -2.864 15.677 -1.123) 15.976 10.613 ( -9.687 5.061 1.792) 11.075 11.077 ( 7.088 -3.144 5.779) 9.670 11.180 ( 3.944 -6.523 0.943) 7.680 ======================= Grid point 100 (35/112) ======================= q-point: ( 0.29 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 20.205 8.507 5.893) 22.701 1.300 ( 20.311 10.637 10.797) 25.343 1.982 ( 18.596 15.586 12.790) 27.429 2.225 ( -1.197 2.944 8.644) 9.210 2.413 ( -11.660 8.307 2.182) 14.482 2.566 ( -6.271 2.653 -8.914) 11.217 2.903 ( 0.501 2.497 -4.643) 5.295 3.046 ( -9.664 2.437 6.667) 11.991 3.196 ( -2.637 7.851 -1.977) 8.514 3.604 ( -6.812 0.297 -3.032) 7.462 3.816 ( 2.307 -2.081 -3.439) 4.634 4.000 ( 2.376 -2.202 0.739) 3.322 4.071 ( -0.275 -2.992 -3.389) 4.529 4.194 ( 4.085 -0.125 -2.115) 4.601 4.203 ( 2.468 -2.250 0.747) 3.422 4.392 ( -0.639 0.063 -3.438) 3.497 4.448 ( -1.818 -1.798 7.157) 7.600 4.481 ( -0.803 1.402 2.269) 2.785 4.556 ( -2.040 1.919 3.141) 4.208 4.695 ( -4.505 -0.034 0.985) 4.612 4.983 ( -6.044 5.081 -1.731) 8.083 5.082 ( -3.686 1.328 -1.840) 4.328 5.648 ( 2.164 -7.286 -4.191) 8.679 5.675 ( 0.857 -6.881 -2.299) 7.305 8.769 ( 9.316 -10.404 -12.658) 18.848 9.004 ( -0.741 -6.811 -7.229) 9.960 9.213 ( 4.081 -4.951 0.260) 6.421 9.337 ( -0.080 -9.152 2.679) 9.537 9.627 ( 2.029 4.167 0.630) 4.677 9.745 ( 0.631 -0.673 3.149) 3.281 9.973 ( -1.949 2.372 2.433) 3.917 10.170 ( -2.470 -0.922 3.248) 4.183 10.427 ( -5.376 15.596 4.896) 17.208 10.464 ( -2.851 11.770 0.844) 12.139 11.245 ( 8.169 -3.738 0.585) 9.003 11.297 ( 6.208 -5.248 -2.240) 8.432 ======================= Grid point 101 (36/112) ======================= q-point: ( 0.43 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 17.145 5.319 5.680) 18.829 1.690 ( 16.521 7.131 9.511) 20.353 1.908 ( -9.978 7.734 6.940) 14.406 2.095 ( -16.933 9.478 5.457) 20.158 2.521 ( 3.038 2.158 -4.079) 5.524 2.557 ( 7.720 4.023 5.724) 10.419 2.870 ( 7.730 1.209 2.737) 8.289 3.021 ( 2.852 5.566 -4.609) 7.769 3.135 ( -3.058 8.283 -3.693) 9.571 3.299 ( -19.575 3.798 1.553) 20.000 3.909 ( 4.687 -2.850 -3.477) 6.495 3.988 ( -3.086 -3.691 -2.346) 5.353 4.124 ( 4.722 -2.377 0.292) 5.295 4.206 ( -2.444 -4.049 1.544) 4.975 4.298 ( 4.808 2.101 -2.434) 5.784 4.372 ( -2.374 1.764 -3.219) 4.371 4.449 ( 2.336 0.199 3.591) 4.288 4.485 ( 2.418 0.323 3.280) 4.087 4.501 ( -3.017 1.337 3.015) 4.470 4.587 ( -6.044 0.849 1.984) 6.418 4.928 ( 0.684 2.512 -1.818) 3.176 4.988 ( -4.614 2.360 -0.130) 5.184 5.682 ( 1.282 -8.043 -5.686) 9.933 5.693 ( 0.253 -6.913 -4.824) 8.433 8.908 ( 4.932 -8.976 -11.593) 15.469 8.978 ( -2.202 -7.832 -9.318) 12.370 9.285 ( 2.945 -6.400 1.673) 7.241 9.327 ( -1.195 -8.183 2.391) 8.609 9.675 ( 2.662 3.453 -0.431) 4.381 9.727 ( -2.214 2.094 -1.025) 3.215 9.988 ( 3.264 0.257 9.042) 9.617 10.081 ( -5.363 -1.243 8.933) 10.493 10.386 ( 0.562 14.714 2.064) 14.869 10.417 ( -2.065 13.434 0.917) 13.623 11.370 ( 3.827 -4.174 -2.232) 6.087 11.387 ( 2.140 -4.555 -2.732) 5.726 ======================= Grid point 105 (37/112) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 25.952 -2.544) 26.076 1.128 ( 0.000 22.901 10.435) 25.167 1.933 ( 0.000 33.944 21.560) 40.212 2.494 ( 0.000 5.602 8.765) 10.403 2.748 ( 0.000 6.173 -15.156) 16.365 2.876 ( 0.000 2.559 -14.661) 14.883 3.152 ( 0.000 12.092 2.305) 12.310 3.297 ( 0.000 4.785 2.410) 5.358 3.495 ( 0.000 8.902 -1.032) 8.962 3.581 ( 0.000 0.106 12.281) 12.282 3.607 ( 0.000 -1.635 -0.494) 1.709 3.945 ( 0.000 -3.993 -0.865) 4.086 4.073 ( 0.000 -4.017 -5.844) 7.092 4.095 ( 0.000 2.061 -4.055) 4.548 4.191 ( 0.000 -0.318 0.058) 0.323 4.378 ( 0.000 -5.727 7.054) 9.086 4.425 ( 0.000 -1.866 -7.514) 7.742 4.538 ( 0.000 2.067 0.978) 2.286 4.735 ( 0.000 0.535 -2.259) 2.322 4.783 ( 0.000 -1.083 2.173) 2.428 4.795 ( 0.000 -1.347 -0.899) 1.620 5.315 ( 0.000 -8.239 3.468) 8.940 5.373 ( 0.000 -2.198 -3.941) 4.512 5.715 ( 0.000 -5.542 1.148) 5.659 8.342 ( 0.000 3.418 1.301) 3.657 8.887 ( 0.000 -8.962 -4.958) 10.242 8.995 ( 0.000 -4.103 0.937) 4.209 9.200 ( 0.000 -6.499 0.336) 6.507 9.653 ( 0.000 -1.599 4.196) 4.490 9.679 ( 0.000 3.305 0.556) 3.351 10.079 ( 0.000 -3.006 0.343) 3.025 10.202 ( 0.000 -2.324 -6.197) 6.618 10.665 ( 0.000 -1.233 -1.264) 1.766 10.831 ( 0.000 11.723 -3.878) 12.347 10.931 ( 0.000 -3.451 4.612) 5.761 11.065 ( 0.000 -1.469 3.439) 3.740 ======================= Grid point 106 (38/112) ======================= q-point: ( 0.14 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 10.079 21.300 0.737) 23.575 1.257 ( 11.831 20.578 7.224) 24.811 2.083 ( 14.045 30.622 18.705) 38.534 2.430 ( -6.047 5.964 7.187) 11.126 2.693 ( -6.624 3.523 -13.483) 15.430 2.841 ( -1.690 8.402 -9.536) 12.822 3.052 ( -7.707 7.979 0.773) 11.121 3.275 ( -6.550 2.970 9.092) 11.593 3.427 ( -2.641 8.869 -0.754) 9.285 3.574 ( 5.114 3.283 -4.179) 7.376 3.737 ( 4.015 -3.290 5.060) 7.249 3.958 ( -0.023 -3.899 -1.218) 4.085 4.047 ( -2.986 1.260 -4.046) 5.184 4.089 ( 1.792 -2.751 -4.521) 5.587 4.170 ( -0.942 -0.450 0.742) 1.281 4.373 ( -0.726 -4.566 5.801) 7.418 4.422 ( 0.347 -0.721 -4.476) 4.547 4.530 ( -0.577 1.168 0.590) 1.430 4.649 ( -2.060 2.978 0.890) 3.729 4.752 ( -2.218 -0.463 1.541) 2.740 4.994 ( 9.597 -4.203 -5.008) 11.613 5.189 ( -7.567 -2.041 -0.739) 7.872 5.450 ( 3.117 -7.449 -1.646) 8.241 5.615 ( -8.087 -5.180 2.997) 10.061 8.436 ( 7.941 -0.705 -1.190) 8.060 8.879 ( -0.617 -8.033 -4.784) 9.370 9.030 ( 2.990 -5.198 0.865) 6.059 9.190 ( -0.738 -6.675 0.928) 6.780 9.652 ( 0.263 -0.379 2.072) 2.123 9.700 ( 1.552 1.170 2.148) 2.897 10.046 ( -2.732 -1.871 -1.465) 3.621 10.181 ( -1.670 -2.885 -0.212) 3.340 10.677 ( 0.555 4.100 -1.480) 4.394 10.807 ( -2.585 10.191 -2.960) 10.922 11.021 ( 7.378 -1.977 3.136) 8.257 11.074 ( 2.657 -2.383 2.298) 4.245 ======================= Grid point 107 (39/112) ======================= q-point: ( 0.29 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 15.297 14.861 2.060) 21.426 1.550 ( 16.098 14.949 6.842) 23.009 2.274 ( -8.734 7.916 5.114) 12.849 2.435 ( 17.461 22.470 10.196) 30.228 2.537 ( -6.285 4.222 -4.806) 8.967 2.722 ( -10.300 12.415 1.055) 16.166 2.931 ( -5.039 0.445 -1.194) 5.198 3.139 ( -2.985 6.172 0.876) 6.911 3.392 ( -2.147 11.352 -3.256) 12.003 3.620 ( -5.333 1.592 -2.329) 6.033 3.766 ( 2.740 -2.853 0.452) 3.981 3.934 ( -1.152 -4.017 -1.140) 4.332 4.030 ( 0.793 -0.905 -1.860) 2.215 4.126 ( 1.120 -3.393 -0.118) 3.575 4.214 ( 5.321 0.459 -1.183) 5.470 4.378 ( 1.724 -1.915 2.542) 3.620 4.426 ( -0.357 0.240 -0.626) 0.759 4.507 ( -1.707 1.120 0.969) 2.260 4.619 ( -2.283 2.589 0.658) 3.514 4.700 ( -2.666 1.451 2.699) 4.062 5.012 ( -5.324 -1.424 -5.848) 8.035 5.130 ( -1.349 1.882 -2.862) 3.681 5.446 ( -1.739 -11.351 -0.077) 11.484 5.522 ( -0.263 -8.797 0.405) 8.811 8.604 ( 7.934 -5.330 -4.437) 10.538 8.862 ( -1.236 -7.368 -5.174) 9.088 9.096 ( 3.201 -6.462 1.336) 7.334 9.178 ( -0.381 -7.107 1.863) 7.357 9.666 ( 1.120 -0.430 0.338) 1.246 9.725 ( 0.645 -1.194 1.368) 1.927 10.001 ( -1.022 0.483 0.954) 1.479 10.138 ( -2.711 -2.598 5.261) 6.463 10.678 ( -0.315 10.303 -0.969) 10.353 10.738 ( -3.308 12.684 -0.137) 13.109 11.172 ( 6.832 -2.446 0.072) 7.257 11.186 ( 6.903 -4.932 -0.786) 8.520 ======================= Grid point 108 (40/112) ======================= q-point: ( 0.43 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 13.194 10.274 2.635) 16.929 1.835 ( 8.206 7.990 8.193) 14.082 2.127 ( -2.232 13.230 2.360) 13.623 2.308 ( -13.756 10.876 2.488) 17.711 2.587 ( 0.500 4.769 0.148) 4.797 2.676 ( -4.293 6.149 5.757) 9.454 2.955 ( 14.405 8.859 1.383) 16.968 3.150 ( -0.070 7.411 -5.324) 9.125 3.337 ( -2.516 11.275 -4.613) 12.439 3.415 ( -11.322 7.767 0.230) 13.732 3.841 ( 3.490 -3.740 -0.483) 5.138 3.899 ( -2.363 -4.774 -0.909) 5.404 4.072 ( 2.874 -2.486 1.010) 3.932 4.123 ( -1.668 -3.692 1.592) 4.353 4.327 ( 4.776 0.763 -2.398) 5.399 4.394 ( -2.193 0.748 -3.084) 3.857 4.453 ( 4.490 -0.517 3.066) 5.461 4.504 ( 2.954 2.428 1.374) 4.063 4.546 ( -4.408 0.595 0.373) 4.464 4.619 ( -6.007 3.535 2.377) 7.364 4.963 ( 1.037 0.709 -3.879) 4.078 5.036 ( -5.575 1.849 -1.177) 5.990 5.470 ( 2.543 -12.541 -2.131) 12.973 5.511 ( -1.316 -10.997 -2.127) 11.278 8.739 ( 5.418 -6.991 -5.847) 10.603 8.822 ( -2.941 -7.294 -5.830) 9.790 9.148 ( 1.839 -7.239 1.975) 7.725 9.171 ( -0.578 -7.395 2.248) 7.751 9.694 ( 1.486 -1.249 -0.703) 2.065 9.720 ( -0.985 -2.028 -0.620) 2.338 10.015 ( 2.216 1.160 5.494) 6.037 10.075 ( -3.355 -0.609 6.910) 7.705 10.674 ( 0.222 13.155 -0.086) 13.157 10.691 ( -1.493 13.325 0.354) 13.413 11.279 ( 3.270 -4.094 -2.046) 5.625 11.287 ( 2.570 -4.551 -1.782) 5.522 ======================= Grid point 112 (41/112) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 25.523 -8.145) 26.792 1.586 ( 0.000 23.202 6.310) 24.044 2.432 ( 0.000 12.746 17.949) 22.014 2.756 ( 0.000 23.404 5.366) 24.011 2.813 ( 0.000 0.408 -17.675) 17.680 2.946 ( 0.000 5.139 -12.756) 13.752 3.386 ( 0.000 2.523 11.843) 12.109 3.403 ( 0.000 12.470 1.951) 12.622 3.571 ( 0.000 -1.314 10.226) 10.310 3.581 ( 0.000 0.323 -4.736) 4.747 3.698 ( 0.000 9.714 -2.546) 10.042 3.869 ( 0.000 -2.959 -1.525) 3.329 4.007 ( 0.000 -2.490 -5.241) 5.803 4.141 ( 0.000 2.560 -2.702) 3.722 4.180 ( 0.000 -0.693 -0.394) 0.797 4.260 ( 0.000 -6.083 6.048) 8.578 4.384 ( 0.000 -2.015 -9.001) 9.224 4.558 ( 0.000 -0.433 -3.331) 3.359 4.747 ( 0.000 0.158 0.282) 0.323 4.771 ( 0.000 -1.008 3.276) 3.427 4.781 ( 0.000 1.592 2.952) 3.354 5.147 ( 0.000 -8.281 3.756) 9.092 5.291 ( 0.000 -5.675 -2.928) 6.386 5.592 ( 0.000 -7.043 0.153) 7.044 8.419 ( 0.000 4.251 1.436) 4.487 8.724 ( 0.000 -6.969 -0.886) 7.025 8.908 ( 0.000 -4.765 0.341) 4.778 9.071 ( 0.000 -6.724 -1.365) 6.861 9.634 ( 0.000 -0.524 1.472) 1.563 9.691 ( 0.000 -1.914 -0.736) 2.050 9.986 ( 0.000 -6.332 0.423) 6.346 10.092 ( 0.000 -7.846 -1.867) 8.065 10.684 ( 0.000 3.252 -0.362) 3.272 10.902 ( 0.000 0.796 6.213) 6.264 10.986 ( 0.000 3.190 -4.112) 5.204 11.108 ( 0.000 5.787 1.984) 6.117 ======================= Grid point 113 (42/112) ======================= q-point: ( 0.14 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 3.856 20.779 0.535) 21.141 1.700 ( 8.355 23.595 -0.485) 25.035 2.458 ( 0.580 7.295 10.354) 12.679 2.718 ( -2.872 9.470 -3.483) 10.491 2.808 ( 0.485 21.054 -0.527) 21.066 2.961 ( 1.535 3.060 -11.190) 11.702 3.211 ( -12.171 7.288 5.628) 15.261 3.343 ( -7.336 3.476 5.188) 9.634 3.586 ( 4.346 5.500 1.693) 7.212 3.664 ( 2.067 -2.495 1.200) 3.455 3.688 ( -0.340 7.287 -1.967) 7.556 3.892 ( 1.091 -1.845 -1.398) 2.559 4.041 ( 2.499 -1.115 -3.796) 4.680 4.096 ( -3.342 2.366 -3.749) 5.552 4.157 ( -0.895 -0.678 0.594) 1.270 4.277 ( 1.518 -4.785 5.379) 7.358 4.408 ( 1.999 -1.038 -7.258) 7.600 4.531 ( -1.347 -1.206 -1.312) 2.234 4.696 ( -1.872 1.478 0.481) 2.433 4.769 ( -0.846 2.435 2.636) 3.687 4.902 ( 6.719 -4.659 -0.334) 8.183 5.108 ( -2.743 -5.518 1.557) 6.356 5.296 ( -0.113 -7.820 -1.748) 8.014 5.506 ( -7.801 -6.081 1.405) 9.990 8.461 ( 3.826 2.662 0.487) 4.686 8.728 ( 0.288 -6.634 -1.163) 6.741 8.928 ( 1.814 -5.203 0.556) 5.538 9.062 ( -0.737 -6.521 -0.581) 6.588 9.636 ( 0.209 -0.801 0.842) 1.181 9.689 ( -0.260 -2.473 -0.517) 2.540 9.975 ( -0.758 -5.518 0.113) 5.571 10.079 ( -1.130 -7.114 0.855) 7.254 10.742 ( 4.860 3.651 -0.871) 6.140 10.928 ( 1.056 2.789 2.204) 3.708 11.014 ( 3.797 1.401 -0.745) 4.115 11.125 ( 1.916 5.913 1.399) 6.371 ======================= Grid point 114 (43/112) ======================= q-point: ( 0.29 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 9.852 14.885 2.437) 18.016 1.889 ( 9.467 18.761 1.594) 21.075 2.417 ( -3.159 7.138 0.698) 7.837 2.619 ( -5.988 5.178 -5.478) 9.627 2.856 ( -5.853 7.899 10.161) 14.139 2.965 ( -10.407 9.349 1.610) 14.082 2.990 ( 6.973 15.651 -0.581) 17.144 3.253 ( 0.785 5.404 -3.495) 6.484 3.611 ( -2.657 9.179 -6.252) 11.420 3.671 ( -2.561 2.882 -0.332) 3.870 3.707 ( 3.598 -1.699 4.581) 6.068 3.880 ( -2.151 -0.485 0.333) 2.230 4.034 ( -0.933 1.135 -1.335) 1.985 4.077 ( 0.417 -1.199 -1.362) 1.862 4.215 ( 5.795 -0.597 -1.827) 6.106 4.329 ( 3.821 -2.633 2.995) 5.523 4.437 ( 0.222 0.292 -4.000) 4.017 4.510 ( -0.831 -1.296 -0.004) 1.539 4.639 ( -4.087 0.706 0.717) 4.209 4.764 ( -0.069 3.927 1.721) 4.288 4.947 ( -1.875 -5.132 -4.991) 7.400 5.109 ( 2.347 -4.018 -1.622) 4.928 5.247 ( -5.683 -8.404 0.919) 10.186 5.352 ( -4.767 -7.605 3.356) 9.583 8.553 ( 4.896 -0.352 -1.371) 5.096 8.729 ( -0.477 -5.781 -2.028) 6.145 8.971 ( 2.181 -6.104 1.213) 6.594 9.048 ( -0.555 -6.294 0.991) 6.395 9.642 ( 0.448 -1.516 -0.266) 1.603 9.680 ( -0.591 -3.134 -0.623) 3.250 9.969 ( 0.412 -4.295 1.512) 4.572 10.052 ( -1.469 -6.117 3.774) 7.335 10.836 ( 3.769 6.171 -0.603) 7.256 10.926 ( -0.647 6.735 -0.114) 6.767 11.129 ( 6.312 -0.530 0.393) 6.347 11.187 ( 3.864 3.546 -0.196) 5.248 ======================= Grid point 115 (44/112) ======================= q-point: ( 0.43 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 9.282 10.086 3.066) 14.046 2.021 ( 1.959 10.786 4.282) 11.769 2.397 ( 2.336 13.790 -0.810) 14.010 2.511 ( -6.122 9.914 -0.855) 11.683 2.673 ( -3.973 2.737 2.957) 5.659 2.762 ( -9.292 3.245 5.082) 11.077 3.209 ( 10.443 13.592 -3.457) 17.486 3.314 ( 1.542 9.103 -5.785) 10.895 3.541 ( -2.161 8.375 -5.941) 10.493 3.590 ( -4.864 9.790 -1.000) 10.978 3.773 ( 2.904 -2.266 4.518) 5.830 3.828 ( -2.703 -1.617 2.662) 4.124 4.041 ( 1.629 -0.254 1.701) 2.369 4.078 ( -1.106 -0.618 -0.009) 1.267 4.329 ( 4.674 -0.740 -4.124) 6.277 4.394 ( -1.186 -1.419 -5.200) 5.519 4.436 ( 3.447 -0.457 4.164) 5.424 4.513 ( -1.154 -2.031 2.270) 3.257 4.569 ( 1.162 2.598 -0.606) 2.910 4.698 ( -7.081 3.076 -0.473) 7.735 4.946 ( 2.882 -2.603 -4.325) 5.812 5.043 ( -6.428 -1.409 -2.659) 7.098 5.231 ( 3.143 -10.458 2.803) 11.274 5.292 ( -2.681 -10.250 1.935) 10.770 8.643 ( 3.854 -2.881 -2.691) 5.513 8.703 ( -2.114 -4.598 -2.847) 5.806 9.010 ( 1.656 -6.550 1.964) 7.036 9.035 ( -0.863 -6.410 2.012) 6.773 9.653 ( 0.651 -2.345 -0.921) 2.603 9.667 ( -0.666 -2.983 -0.982) 3.210 9.989 ( 1.422 -4.279 3.551) 5.739 10.021 ( -1.632 -5.108 4.490) 6.994 10.889 ( 1.677 8.680 0.105) 8.841 10.912 ( -0.813 8.920 0.232) 8.960 11.231 ( 3.287 -0.515 -0.979) 3.468 11.248 ( 1.502 0.705 -1.178) 2.035 ======================= Grid point 119 (45/112) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.000 21.683 3.268) 21.928 2.045 ( 0.000 21.685 -10.651) 24.159 2.599 ( 0.000 7.285 12.459) 14.432 2.787 ( 0.000 -2.438 -13.585) 13.802 3.000 ( 0.000 3.857 -9.897) 10.622 3.280 ( 0.000 19.696 5.162) 20.361 3.351 ( 0.000 -5.076 8.417) 9.829 3.508 ( 0.000 0.048 5.818) 5.818 3.584 ( 0.000 -2.098 -0.738) 2.224 3.651 ( 0.000 9.798 2.956) 10.234 3.789 ( 0.000 -0.034 -4.222) 4.222 3.919 ( 0.000 7.275 -3.082) 7.901 3.982 ( 0.000 0.128 -2.091) 2.095 4.155 ( 0.000 -3.923 3.895) 5.528 4.164 ( 0.000 -0.781 -2.431) 2.553 4.203 ( 0.000 3.489 1.748) 3.902 4.352 ( 0.000 -1.205 -9.165) 9.243 4.514 ( 0.000 -3.879 -6.295) 7.394 4.747 ( 0.000 0.139 3.205) 3.208 4.755 ( 0.000 -0.633 6.410) 6.441 4.838 ( 0.000 3.801 2.052) 4.320 5.012 ( 0.000 -4.910 3.969) 6.314 5.170 ( 0.000 -6.171 -2.350) 6.603 5.436 ( 0.000 -8.761 -0.219) 8.764 8.506 ( 0.000 4.471 1.253) 4.643 8.624 ( 0.000 -3.149 0.775) 3.243 8.808 ( 0.000 -5.275 -0.135) 5.277 8.936 ( 0.000 -6.864 -1.459) 7.018 9.626 ( 0.000 -0.341 -0.341) 0.482 9.633 ( 0.000 -3.038 -1.140) 3.244 9.847 ( 0.000 -7.083 0.524) 7.102 9.922 ( 0.000 -8.790 -0.137) 8.791 10.774 ( 0.000 5.142 -1.261) 5.295 10.962 ( 0.000 4.964 7.774) 9.223 11.007 ( 0.000 -0.195 -2.949) 2.955 11.217 ( 0.000 3.938 1.601) 4.251 ======================= Grid point 120 (46/112) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.824 18.405 -0.683) 18.436 2.158 ( 6.245 22.318 -3.607) 23.454 2.566 ( -2.595 4.099 1.917) 5.217 2.785 ( -0.794 2.416 -2.933) 3.882 2.997 ( -1.770 1.678 -8.139) 8.497 3.203 ( -4.867 3.710 5.690) 8.356 3.361 ( -3.755 12.295 2.076) 13.022 3.389 ( -6.224 2.076 1.181) 6.666 3.560 ( 2.074 -2.149 7.055) 7.661 3.720 ( 3.181 5.048 -0.189) 5.970 3.821 ( 1.005 4.796 -3.522) 6.035 3.926 ( 0.605 5.227 -1.594) 5.498 4.031 ( 4.530 -0.205 -2.599) 5.227 4.128 ( -2.881 0.036 -1.025) 3.058 4.143 ( -1.494 -0.772 -0.476) 1.748 4.224 ( 2.252 0.650 3.082) 3.872 4.379 ( 2.409 -1.802 -7.878) 8.433 4.485 ( -1.770 -3.228 -3.906) 5.367 4.718 ( -1.975 0.917 2.481) 3.301 4.817 ( 3.287 -3.423 4.482) 6.528 4.834 ( -0.140 3.302 1.541) 3.646 5.003 ( -0.729 -4.378 3.193) 5.467 5.154 ( -1.448 -6.269 -1.158) 6.537 5.371 ( -6.000 -7.583 0.132) 9.670 8.526 ( 1.910 3.772 0.809) 4.305 8.632 ( 0.725 -2.995 0.661) 3.151 8.823 ( 1.380 -5.363 -0.053) 5.538 8.932 ( -0.259 -6.514 -0.722) 6.559 9.622 ( -0.382 -0.658 -0.550) 0.939 9.629 ( -0.365 -2.811 -0.961) 2.993 9.842 ( -0.248 -7.144 0.664) 7.179 9.919 ( -0.353 -8.556 0.605) 8.585 10.833 ( 5.249 5.091 -1.157) 7.404 10.989 ( 2.090 3.786 4.010) 5.898 11.043 ( 3.824 1.333 0.153) 4.053 11.231 ( 1.337 3.858 1.166) 4.246 ======================= Grid point 121 (47/112) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.478 13.749 2.203) 14.626 2.252 ( 1.964 16.939 -0.620) 17.064 2.546 ( 2.142 5.822 -3.562) 7.153 2.738 ( -4.016 6.514 -1.129) 7.735 2.868 ( -8.999 -0.987 5.453) 10.568 3.087 ( -13.075 3.572 1.554) 13.643 3.226 ( 4.116 1.540 -7.898) 9.039 3.449 ( 3.158 9.399 -0.612) 9.934 3.603 ( 2.817 1.897 3.433) 4.829 3.771 ( 1.928 5.200 2.049) 5.912 3.819 ( -0.701 8.257 -1.962) 8.515 3.920 ( -2.101 3.897 0.333) 4.439 4.067 ( -1.883 2.265 -1.789) 3.446 4.088 ( 0.318 1.885 -1.394) 2.366 4.177 ( 5.489 -3.529 -3.333) 7.328 4.286 ( 3.568 -1.555 1.252) 4.089 4.429 ( 1.771 -1.058 -4.559) 5.004 4.460 ( -0.426 -3.149 -1.185) 3.392 4.660 ( -3.748 1.074 0.949) 4.013 4.818 ( -3.353 -2.650 0.521) 4.305 4.844 ( 0.823 -0.340 1.658) 1.882 5.011 ( 1.936 -4.891 2.028) 5.638 5.108 ( -3.554 -5.545 1.117) 6.680 5.231 ( -6.574 -5.296 1.718) 8.615 8.573 ( 2.489 2.071 -0.154) 3.242 8.646 ( 0.445 -2.431 0.099) 2.474 8.857 ( 1.782 -5.477 0.464) 5.778 8.927 ( -0.321 -5.999 0.761) 6.056 9.614 ( -0.290 -1.255 -0.926) 1.586 9.621 ( -0.354 -2.344 -0.929) 2.546 9.844 ( 0.506 -7.447 1.380) 7.591 9.907 ( -0.852 -8.175 1.701) 8.393 10.950 ( 5.548 5.627 -0.260) 7.906 11.030 ( 1.867 4.446 1.197) 4.968 11.147 ( 5.754 1.646 1.368) 6.139 11.264 ( 1.750 3.203 0.100) 3.651 ======================= Grid point 122 (48/112) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 6.545 9.819 3.768) 12.387 2.234 ( -3.107 10.244 1.583) 10.821 2.640 ( 2.069 6.945 1.467) 7.394 2.672 ( 2.035 2.496 0.341) 3.239 2.709 ( -4.802 7.018 -1.158) 8.582 2.848 ( -10.141 6.982 3.078) 12.691 3.340 ( 6.094 0.313 -10.100) 11.800 3.443 ( -3.491 -0.439 -6.908) 7.753 3.697 ( 5.601 9.404 0.863) 10.979 3.783 ( -1.968 9.059 -1.667) 9.419 3.813 ( 0.871 6.521 3.822) 7.608 3.851 ( -3.331 3.880 2.083) 5.522 4.068 ( 1.537 2.710 1.554) 3.481 4.094 ( -0.302 1.760 -0.372) 1.824 4.286 ( 4.436 -3.956 -5.991) 8.439 4.334 ( 0.066 -4.211 -4.180) 5.934 4.441 ( 1.323 0.628 2.178) 2.625 4.476 ( -0.071 -1.366 2.254) 2.636 4.599 ( -0.025 0.212 -1.326) 1.343 4.695 ( -7.316 -3.661 -0.971) 8.238 4.894 ( 3.884 -0.985 -0.166) 4.010 4.990 ( -5.249 -2.963 -1.037) 6.116 5.080 ( 2.582 -5.349 4.477) 7.438 5.139 ( -3.226 -5.402 3.542) 7.221 8.618 ( 1.861 0.185 -0.807) 2.037 8.644 ( -0.703 -1.363 -0.660) 1.669 8.891 ( 1.558 -5.574 1.327) 5.938 8.916 ( -0.874 -5.749 1.590) 6.028 9.612 ( 0.072 -1.701 -1.149) 2.054 9.615 ( -0.250 -2.003 -1.113) 2.305 9.862 ( 1.147 -7.764 2.097) 8.124 9.886 ( -1.203 -7.945 2.245) 8.343 11.034 ( 2.584 6.446 0.914) 7.005 11.055 ( 0.313 6.051 1.178) 6.172 11.247 ( 3.700 1.340 -0.120) 3.937 11.285 ( -0.139 1.997 -0.646) 2.103 ======================= Grid point 126 (49/112) ======================= q-point: ( 0.00 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 0.000 13.603 -9.823) 16.779 2.425 ( 0.000 17.454 -0.672) 17.467 2.734 ( 0.000 -2.456 -7.206) 7.613 2.761 ( 0.000 9.220 5.854) 10.922 3.022 ( 0.000 -2.695 -4.619) 5.347 3.217 ( 0.000 -8.377 4.604) 9.558 3.358 ( 0.000 -1.359 5.588) 5.751 3.499 ( 0.000 -5.517 0.189) 5.521 3.690 ( 0.000 6.643 -1.576) 6.827 3.768 ( 0.000 -1.956 -2.385) 3.084 3.839 ( 0.000 11.307 5.683) 12.655 4.027 ( 0.000 4.516 -0.099) 4.517 4.033 ( 0.000 3.221 -3.213) 4.550 4.128 ( 0.000 1.382 1.283) 1.886 4.144 ( 0.000 -1.286 -1.626) 2.073 4.256 ( 0.000 0.937 3.583) 3.704 4.337 ( 0.000 -0.230 -8.777) 8.780 4.420 ( 0.000 -5.067 -7.845) 9.339 4.747 ( 0.000 -0.116 8.162) 8.163 4.752 ( 0.000 0.152 5.952) 5.953 4.927 ( 0.000 4.873 -0.148) 4.875 4.963 ( 0.000 0.472 3.303) 3.336 5.060 ( 0.000 -4.776 -1.740) 5.084 5.253 ( 0.000 -9.476 -0.142) 9.477 8.595 ( 0.000 4.589 0.655) 4.635 8.598 ( 0.000 0.320 0.928) 0.982 8.708 ( 0.000 -4.647 -0.035) 4.647 8.805 ( 0.000 -6.246 -0.872) 6.307 9.595 ( 0.000 -0.566 -1.189) 1.317 9.619 ( 0.000 -0.328 -1.695) 1.727 9.729 ( 0.000 -4.403 0.555) 4.438 9.766 ( 0.000 -6.595 0.953) 6.663 10.868 ( 0.000 4.237 -1.668) 4.553 10.987 ( 0.000 -1.727 -2.248) 2.835 11.080 ( 0.000 6.416 7.089) 9.562 11.248 ( 0.000 -0.743 2.998) 3.089 ======================= Grid point 127 (50/112) ======================= q-point: ( 0.14 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -4.092 13.678 -2.397) 14.477 2.563 ( 7.028 17.036 -4.712) 19.021 2.599 ( -6.767 0.147 -4.084) 7.905 2.855 ( 2.775 5.203 4.708) 7.545 3.024 ( -2.601 -0.038 -6.271) 6.789 3.127 ( -4.081 -7.744 2.676) 9.153 3.336 ( -7.120 -3.018 0.819) 7.777 3.400 ( -2.577 -4.710 4.562) 7.045 3.709 ( 1.878 5.899 -2.028) 6.514 3.834 ( 4.579 3.954 -0.946) 6.123 3.891 ( 4.074 5.494 3.068) 7.496 4.016 ( -0.601 3.007 -1.794) 3.552 4.056 ( 1.652 3.782 -0.962) 4.237 4.129 ( -0.120 1.384 0.386) 1.442 4.142 ( -0.522 -0.042 -2.110) 2.174 4.252 ( -0.080 0.533 2.187) 2.252 4.347 ( 1.069 -1.023 -6.871) 7.029 4.415 ( -0.224 -3.680 -6.788) 7.725 4.729 ( -2.143 0.086 5.166) 5.593 4.755 ( 0.372 -2.315 7.934) 8.273 4.910 ( -1.378 3.907 -0.667) 4.196 4.957 ( -0.792 -0.010 2.896) 3.003 5.055 ( -0.581 -3.625 0.073) 3.672 5.214 ( -3.645 -8.131 -0.082) 8.911 8.602 ( 0.845 2.824 0.567) 3.001 8.612 ( 1.186 1.917 0.885) 2.422 8.723 ( 1.361 -4.645 0.054) 4.841 8.809 ( 0.281 -5.961 -0.398) 5.981 9.596 ( 0.077 -0.313 -1.009) 1.059 9.612 ( -0.611 -0.228 -1.445) 1.585 9.720 ( -0.721 -4.736 0.589) 4.827 9.763 ( -0.336 -6.826 0.854) 6.887 10.925 ( 5.217 4.056 -1.558) 6.789 11.024 ( 3.389 -0.634 -1.794) 3.886 11.111 ( 2.917 5.475 6.327) 8.861 11.263 ( 1.350 -0.593 2.559) 2.953 ======================= Grid point 128 (51/112) ======================= q-point: ( 0.29 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.743 11.058 1.389) 11.170 2.481 ( -4.373 3.828 -2.835) 6.466 2.671 ( 1.680 7.933 1.781) 8.302 2.841 ( -9.669 1.003 0.916) 9.764 2.876 ( -0.458 4.789 -0.196) 4.815 3.149 ( -8.120 3.842 1.773) 9.156 3.178 ( 5.180 -5.419 -7.740) 10.775 3.389 ( -0.735 -6.952 1.211) 7.095 3.760 ( 3.155 5.775 -2.529) 7.050 3.919 ( 3.248 6.528 0.445) 7.305 3.955 ( 1.730 5.106 0.486) 5.413 3.995 ( -1.897 2.988 -2.338) 4.242 4.102 ( 2.664 -0.918 -2.052) 3.486 4.121 ( -0.758 2.180 -0.788) 2.439 4.127 ( 0.479 2.082 -1.179) 2.440 4.255 ( 0.038 -2.117 -1.332) 2.502 4.386 ( 2.680 -2.178 -2.830) 4.465 4.425 ( 1.532 -1.021 -3.475) 3.932 4.670 ( -3.547 -0.007 3.316) 4.856 4.728 ( -3.928 -3.753 5.641) 7.831 4.887 ( -0.518 2.375 -0.302) 2.449 4.946 ( 0.500 -1.570 2.885) 3.323 5.032 ( -1.939 -2.152 2.556) 3.864 5.127 ( -4.450 -5.239 1.021) 6.949 8.624 ( 1.180 2.385 0.403) 2.691 8.637 ( 1.071 2.012 0.623) 2.363 8.756 ( 1.773 -4.656 0.424) 5.000 8.813 ( 0.088 -5.468 0.511) 5.493 9.597 ( -0.002 0.128 -0.794) 0.805 9.600 ( -0.524 -0.107 -1.080) 1.205 9.710 ( -0.155 -5.605 0.720) 5.653 9.752 ( -0.705 -6.994 0.784) 7.073 11.048 ( 6.205 4.065 -0.726) 7.453 11.105 ( 4.088 2.391 -0.320) 4.747 11.184 ( 4.023 2.627 3.919) 6.200 11.293 ( 1.302 -0.423 1.422) 1.974 ======================= Grid point 129 (52/112) ======================= q-point: ( 0.43 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.770 8.869 3.468) 10.651 2.413 ( -3.503 7.543 0.382) 8.326 2.622 ( -2.524 -3.506 5.415) 6.927 2.669 ( -6.401 -2.414 1.198) 6.945 2.933 ( 4.656 11.549 -4.027) 13.087 3.028 ( -4.753 9.800 0.110) 10.892 3.280 ( 4.597 -5.560 -6.593) 9.773 3.355 ( -2.756 -6.543 -3.138) 7.763 3.836 ( 4.309 5.616 -3.546) 7.917 3.926 ( -4.334 5.082 -4.049) 7.810 3.956 ( 0.764 5.475 -0.417) 5.544 3.967 ( -0.329 5.406 -0.127) 5.417 4.124 ( 0.659 1.541 -0.453) 1.736 4.126 ( 0.528 1.806 1.030) 2.145 4.186 ( 3.611 -4.797 -3.898) 7.159 4.240 ( -1.673 -5.057 -3.625) 6.443 4.448 ( 3.696 0.413 -0.234) 3.726 4.478 ( 2.546 1.398 1.913) 3.478 4.594 ( -3.512 -0.230 0.204) 3.526 4.617 ( -5.435 -2.948 2.794) 6.785 4.902 ( 2.043 1.138 1.082) 2.577 4.958 ( -2.225 -0.360 2.060) 3.054 4.996 ( 1.241 -3.390 4.037) 5.415 5.050 ( -3.233 -3.991 3.164) 6.033 8.644 ( 0.710 2.180 0.296) 2.312 8.650 ( 0.194 2.034 0.344) 2.072 8.789 ( 1.365 -4.834 0.881) 5.099 8.809 ( -0.608 -5.120 0.999) 5.252 9.594 ( -0.023 0.040 -0.913) 0.914 9.596 ( -0.163 0.212 -0.803) 0.847 9.716 ( 0.744 -6.380 0.863) 6.480 9.735 ( -0.983 -6.814 0.862) 6.938 11.146 ( 3.046 4.763 0.945) 5.732 11.163 ( 1.241 5.032 1.410) 5.372 11.260 ( 3.253 -0.220 0.803) 3.358 11.302 ( -0.715 -0.563 0.298) 0.957 ======================= Grid point 133 (53/112) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 0.000 -4.037 -7.364) 8.398 2.576 ( 0.000 4.037 -7.364) 8.398 2.803 ( 0.000 -9.258 -3.110) 9.767 2.803 ( 0.000 9.258 -3.110) 9.767 3.032 ( 0.000 -9.079 5.885) 10.820 3.032 ( 0.000 9.079 5.885) 10.820 3.395 ( 0.000 -4.424 1.204) 4.585 3.395 ( 0.000 4.424 1.204) 4.585 3.734 ( 0.000 -1.075 -1.376) 1.747 3.734 ( 0.000 1.075 -1.376) 1.747 4.020 ( 0.000 -5.002 1.038) 5.108 4.020 ( 0.000 5.002 1.038) 5.108 4.107 ( 0.000 -2.687 -0.513) 2.735 4.107 ( 0.000 2.687 -0.513) 2.735 4.209 ( 0.000 -5.432 2.295) 5.897 4.209 ( 0.000 5.432 2.295) 5.897 4.348 ( 0.000 -1.698 -8.730) 8.893 4.348 ( 0.000 1.698 -8.730) 8.893 4.750 ( 0.000 -0.253 8.271) 8.275 4.750 ( 0.000 0.253 8.271) 8.275 4.983 ( 0.000 -3.017 -1.028) 3.187 4.983 ( 0.000 3.017 -1.028) 3.187 5.075 ( 0.000 -8.251 0.769) 8.287 5.075 ( 0.000 8.251 0.769) 8.287 8.630 ( 0.000 -2.825 0.381) 2.851 8.630 ( 0.000 2.825 0.381) 2.851 8.692 ( 0.000 -5.170 -0.021) 5.170 8.692 ( 0.000 5.170 -0.021) 5.170 9.607 ( 0.000 -1.143 -2.257) 2.530 9.607 ( 0.000 1.143 -2.257) 2.530 9.687 ( 0.000 -0.700 1.512) 1.666 9.687 ( 0.000 0.700 1.512) 1.666 10.940 ( 0.000 -3.046 -1.794) 3.535 10.940 ( 0.000 3.046 -1.794) 3.535 11.193 ( 0.000 -4.625 5.051) 6.848 11.193 ( 0.000 4.625 5.051) 6.848 ======================= Grid point 135 (54/112) ======================= q-point: ( 0.14 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.816 -7.587 -3.909) 9.800 2.504 ( -4.816 7.587 -3.909) 9.800 2.884 ( 5.373 -12.338 -4.701) 14.255 2.884 ( 5.373 12.338 -4.701) 14.255 2.986 ( -4.383 -4.962 3.832) 7.649 2.986 ( -4.383 4.962 3.832) 7.649 3.325 ( -4.876 -2.214 2.418) 5.876 3.325 ( -4.876 2.214 2.418) 5.876 3.786 ( 4.009 -3.848 -2.631) 6.148 3.786 ( 4.009 3.848 -2.631) 6.148 4.029 ( 0.579 -3.339 0.139) 3.392 4.029 ( 0.579 3.339 0.139) 3.392 4.116 ( 0.682 -2.016 0.447) 2.175 4.116 ( 0.682 2.016 0.447) 2.175 4.211 ( 0.118 -4.860 1.346) 5.044 4.211 ( 0.118 4.860 1.346) 5.044 4.353 ( 0.596 -1.906 -7.891) 8.140 4.353 ( 0.596 1.906 -7.891) 8.140 4.730 ( -1.816 -0.455 7.968) 8.185 4.730 ( -1.816 0.455 7.968) 8.185 4.962 ( -1.917 -1.708 -0.723) 2.667 4.962 ( -1.917 1.708 -0.723) 2.667 5.067 ( -0.803 -5.887 1.245) 6.071 5.067 ( -0.803 5.887 1.245) 6.071 8.643 ( 1.184 -2.874 0.381) 3.132 8.643 ( 1.184 2.874 0.381) 3.132 8.700 ( 0.721 -4.885 0.210) 4.943 8.700 ( 0.721 4.885 0.210) 4.943 9.609 ( 0.134 -0.707 -1.977) 2.104 9.609 ( 0.134 0.707 -1.977) 2.104 9.675 ( -1.049 -1.052 1.354) 2.010 9.675 ( -1.049 1.052 1.354) 2.010 10.991 ( 4.699 -2.573 -1.594) 5.590 10.991 ( 4.699 2.573 -1.594) 5.590 11.213 ( 1.799 -4.252 4.582) 6.505 11.213 ( 1.799 4.252 4.582) 6.505 ======================= Grid point 137 (55/112) ======================= q-point: ( 0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -1.340 -6.486 -0.358) 6.633 2.436 ( -1.340 6.486 -0.358) 6.633 2.802 ( -10.173 -4.306 3.596) 11.617 2.802 ( -10.173 4.306 3.596) 11.617 3.029 ( 5.843 -8.941 -6.411) 12.457 3.029 ( 5.843 8.941 -6.411) 12.457 3.254 ( -2.317 -6.444 2.025) 7.141 3.254 ( -2.317 6.444 2.025) 7.141 3.869 ( 4.139 -5.842 -4.295) 8.349 3.869 ( 4.139 5.842 -4.295) 8.349 4.029 ( -0.714 -1.029 -1.715) 2.124 4.029 ( -0.714 1.029 -1.715) 2.124 4.128 ( 0.476 -1.115 1.087) 1.628 4.128 ( 0.476 1.115 1.087) 1.628 4.203 ( -1.335 -3.453 -1.218) 3.897 4.203 ( -1.335 3.453 -1.218) 3.897 4.387 ( 3.264 -2.199 -3.642) 5.363 4.387 ( 3.264 2.199 -3.642) 5.363 4.679 ( -3.418 -1.369 5.891) 6.946 4.679 ( -3.418 1.369 5.891) 6.946 4.926 ( -1.051 -1.308 0.514) 1.755 4.926 ( -1.051 1.308 0.514) 1.755 5.038 ( -2.151 -3.036 2.566) 4.519 5.038 ( -2.151 3.036 2.566) 4.519 8.672 ( 1.561 -2.951 0.436) 3.367 8.672 ( 1.561 2.951 0.436) 3.367 8.715 ( 0.532 -4.210 0.614) 4.288 8.715 ( 0.532 4.210 0.614) 4.288 9.612 ( 0.232 -0.596 -1.199) 1.359 9.612 ( 0.232 0.596 -1.199) 1.359 9.653 ( -1.065 -1.891 0.791) 2.310 9.653 ( -1.065 1.891 0.791) 2.310 11.106 ( 6.187 -1.759 -0.908) 6.496 11.106 ( 6.187 1.759 -0.908) 6.496 11.252 ( 1.720 -3.394 3.360) 5.076 11.252 ( 1.720 3.394 3.360) 5.076 ======================= Grid point 139 (56/112) ======================= q-point: ( 0.43 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 4.181 -4.527 1.978) 6.472 2.464 ( 4.181 4.527 1.978) 6.472 2.600 ( -9.013 -3.347 3.158) 10.120 2.600 ( -9.013 3.347 3.158) 10.120 3.136 ( 4.556 -8.793 -4.528) 10.890 3.136 ( 4.556 8.793 -4.528) 10.890 3.208 ( -2.693 -8.202 -1.131) 8.707 3.208 ( -2.693 8.202 -1.131) 8.707 3.947 ( 3.449 -5.149 -5.110) 8.033 3.947 ( 3.449 5.149 -5.110) 8.033 4.002 ( -1.966 -1.607 -3.773) 4.548 4.002 ( -1.966 1.607 -3.773) 4.548 4.137 ( 0.613 -0.343 0.303) 0.765 4.137 ( 0.613 0.343 0.303) 0.765 4.163 ( -2.039 -1.672 -1.140) 2.873 4.163 ( -2.039 1.672 -1.140) 2.873 4.480 ( 5.496 -1.791 0.180) 5.784 4.480 ( 5.496 1.791 0.180) 5.784 4.590 ( -5.218 -0.008 2.558) 5.811 4.590 ( -5.218 0.008 2.558) 5.811 4.934 ( 1.773 -2.085 2.642) 3.804 4.934 ( 1.773 2.085 2.642) 3.804 4.985 ( -2.946 -2.290 3.348) 5.013 4.985 ( -2.946 2.290 3.348) 5.013 8.701 ( 1.189 -3.120 0.606) 3.394 8.701 ( 1.189 3.120 0.606) 3.394 8.717 ( -0.360 -3.540 0.751) 3.637 8.717 ( -0.360 3.540 0.751) 3.637 9.620 ( 0.557 -1.871 -0.413) 1.995 9.620 ( 0.557 1.871 -0.413) 1.995 9.634 ( -0.826 -2.338 0.132) 2.483 9.634 ( -0.826 2.338 0.132) 2.483 11.215 ( 4.205 -1.738 0.281) 4.559 11.215 ( 4.205 1.738 0.281) 4.559 11.265 ( -0.742 -2.468 1.796) 3.141 11.265 ( -0.742 2.468 1.796) 3.141 ======================= Grid point 182 (57/112) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 0.000 25.987) 25.987 1.078 ( 0.000 0.000 27.323) 27.323 1.439 ( 0.000 0.000 33.856) 33.856 2.315 ( 0.000 0.000 -15.313) 15.313 2.475 ( 0.000 0.000 -18.148) 18.148 2.741 ( 0.000 0.000 18.059) 18.059 2.935 ( 0.000 0.000 4.483) 4.483 3.120 ( 0.000 0.000 -16.947) 16.947 3.141 ( 0.000 0.000 -1.284) 1.284 3.643 ( 0.000 0.000 -5.611) 5.611 3.812 ( 0.000 0.000 11.092) 11.092 4.013 ( 0.000 0.000 1.321) 1.321 4.040 ( 0.000 0.000 1.414) 1.414 4.194 ( 0.000 0.000 -0.230) 0.230 4.294 ( 0.000 0.000 -0.519) 0.519 4.302 ( 0.000 0.000 -6.514) 6.514 4.555 ( 0.000 0.000 4.527) 4.527 4.645 ( 0.000 0.000 -5.110) 5.110 4.660 ( 0.000 0.000 1.459) 1.459 4.696 ( 0.000 0.000 -7.885) 7.885 4.861 ( 0.000 0.000 3.662) 3.662 5.211 ( 0.000 0.000 -4.805) 4.805 5.594 ( 0.000 0.000 5.665) 5.665 5.851 ( 0.000 0.000 -2.522) 2.522 8.308 ( 0.000 0.000 3.488) 3.488 8.871 ( 0.000 0.000 -15.210) 15.210 9.151 ( 0.000 0.000 3.038) 3.038 9.422 ( 0.000 0.000 -5.607) 5.607 9.560 ( 0.000 0.000 2.478) 2.478 9.718 ( 0.000 0.000 -2.301) 2.301 10.140 ( 0.000 0.000 1.801) 1.801 10.161 ( 0.000 0.000 11.480) 11.480 10.268 ( 0.000 0.000 -2.052) 2.052 10.647 ( 0.000 0.000 -5.774) 5.774 11.129 ( 0.000 0.000 4.408) 4.408 11.297 ( 0.000 0.000 -1.283) 1.283 ======================= Grid point 183 (58/112) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 8.918 0.000 21.700) 23.461 1.193 ( 10.777 0.000 24.374) 26.650 1.686 ( 19.961 0.000 25.927) 32.721 2.332 ( 1.223 0.000 -13.105) 13.162 2.408 ( -4.441 0.000 -14.764) 15.418 2.650 ( -7.823 0.000 18.077) 19.697 2.875 ( -5.164 0.000 3.728) 6.369 3.121 ( -2.132 0.000 -2.213) 3.073 3.264 ( 11.363 0.000 -14.970) 18.794 3.451 ( -14.346 0.000 0.336) 14.350 3.852 ( -1.667 0.000 0.663) 1.794 4.009 ( 1.534 0.000 3.359) 3.693 4.075 ( 3.251 0.000 0.954) 3.388 4.143 ( -3.785 0.000 0.136) 3.787 4.259 ( -2.503 0.000 -0.175) 2.509 4.300 ( -0.165 0.000 -5.936) 5.938 4.550 ( -0.422 0.000 4.444) 4.464 4.568 ( -0.678 0.000 -0.618) 0.917 4.648 ( -1.203 0.000 1.584) 1.989 4.783 ( -1.040 0.000 -1.167) 1.563 4.932 ( 6.937 0.000 -4.995) 8.548 5.109 ( -8.414 0.000 -0.850) 8.457 5.616 ( 1.185 0.000 0.951) 1.519 5.761 ( -6.796 0.000 -1.664) 6.997 8.440 ( 10.304 0.000 -3.113) 10.764 8.882 ( 0.933 0.000 -13.895) 13.926 9.189 ( 3.602 0.000 2.340) 4.296 9.428 ( 0.500 0.000 -5.036) 5.061 9.569 ( 0.869 0.000 2.286) 2.445 9.712 ( -0.651 0.000 -1.994) 2.097 10.147 ( 0.668 0.000 1.527) 1.667 10.177 ( 1.552 0.000 12.306) 12.403 10.262 ( -0.552 0.000 -1.919) 1.997 10.607 ( -4.057 0.000 -1.451) 4.309 11.186 ( 5.003 0.000 2.381) 5.541 11.267 ( -1.184 0.000 0.078) 1.187 ======================= Grid point 184 (59/112) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 18.703 0.000 13.651) 23.155 1.472 ( 16.121 0.000 18.832) 24.790 2.061 ( 12.419 0.000 4.181) 13.104 2.315 ( -4.641 0.000 -3.620) 5.886 2.403 ( 1.221 0.000 3.996) 4.179 2.482 ( -1.511 0.000 16.012) 16.083 2.786 ( -1.808 0.000 -1.961) 2.668 3.054 ( -4.499 0.000 -4.507) 6.368 3.128 ( -16.074 0.000 1.401) 16.135 3.495 ( 7.881 0.000 -10.021) 12.748 3.726 ( -7.588 0.000 -2.978) 8.151 4.030 ( -2.908 0.000 -3.755) 4.750 4.116 ( 3.269 0.000 4.716) 5.738 4.154 ( 4.167 0.000 -0.098) 4.168 4.238 ( 0.895 0.000 -0.530) 1.040 4.294 ( -0.479 0.000 -4.507) 4.533 4.542 ( -0.271 0.000 4.156) 4.164 4.578 ( 0.255 0.000 4.353) 4.360 4.615 ( -1.991 0.000 1.978) 2.806 4.714 ( -4.731 0.000 1.505) 4.965 4.944 ( -6.483 0.000 0.660) 6.517 5.009 ( -0.055 0.000 -3.217) 3.217 5.615 ( -1.251 0.000 -5.811) 5.944 5.658 ( -2.706 0.000 -4.764) 5.479 8.635 ( 8.370 0.000 -8.047) 11.611 8.893 ( -0.308 0.000 -11.669) 11.673 9.280 ( 4.978 0.000 1.018) 5.081 9.437 ( 0.231 0.000 -3.689) 3.696 9.593 ( 1.514 0.000 1.733) 2.301 9.692 ( -1.248 0.000 -1.188) 1.723 10.166 ( 1.188 0.000 0.823) 1.445 10.221 ( 2.805 0.000 13.654) 13.939 10.246 ( -1.038 0.000 -1.523) 1.843 10.497 ( -6.175 0.000 6.919) 9.274 11.288 ( 3.378 0.000 -1.123) 3.560 11.298 ( 4.862 0.000 -2.368) 5.408 ======================= Grid point 185 (60/112) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 18.457 0.000 11.191) 21.585 1.809 ( 16.820 0.000 13.513) 21.576 2.047 ( -12.691 0.000 9.848) 16.064 2.122 ( -13.620 0.000 7.438) 15.519 2.401 ( 8.943 0.000 -3.404) 9.569 2.625 ( -6.146 0.000 3.552) 7.099 2.828 ( 4.980 0.000 -7.624) 9.106 2.945 ( -6.051 0.000 -6.997) 9.251 2.979 ( 11.597 0.000 8.576) 14.424 3.341 ( -17.814 0.000 6.921) 19.111 3.789 ( 8.507 0.000 -11.236) 14.093 3.936 ( -5.957 0.000 -7.292) 9.416 4.204 ( 4.611 0.000 3.845) 6.004 4.229 ( 3.150 0.000 -1.367) 3.434 4.264 ( -0.172 0.000 0.362) 0.401 4.276 ( -1.506 0.000 -2.843) 3.217 4.546 ( 0.797 0.000 3.532) 3.621 4.563 ( -0.074 0.000 6.502) 6.503 4.574 ( -1.905 0.000 2.674) 3.283 4.619 ( -4.570 0.000 2.903) 5.414 4.890 ( 1.206 0.000 0.146) 1.215 4.955 ( -4.112 0.000 -0.270) 4.121 5.603 ( 0.370 0.000 -9.653) 9.660 5.622 ( -1.380 0.000 -8.606) 8.716 8.774 ( 5.594 0.000 -9.274) 10.831 8.860 ( -2.973 0.000 -10.160) 10.586 9.372 ( 3.867 0.000 -0.454) 3.894 9.427 ( -1.516 0.000 -2.084) 2.577 9.627 ( 1.790 0.000 0.886) 1.998 9.663 ( -1.674 0.000 -0.145) 1.681 10.193 ( 1.436 0.000 -0.058) 1.437 10.222 ( -1.366 0.000 -0.884) 1.627 10.289 ( 3.913 0.000 13.942) 14.480 10.380 ( -5.244 0.000 12.061) 13.152 11.354 ( 2.525 0.000 -4.062) 4.783 11.367 ( 1.498 0.000 -3.964) 4.237 ======================= Grid point 189 (61/112) ======================= q-point: ( 0.00 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.313 25.571) 25.573 1.093 ( 0.000 11.032 22.328) 24.905 1.773 ( 0.000 26.143 26.864) 37.485 2.354 ( 0.000 3.467 -16.712) 17.068 2.496 ( 0.000 2.231 -16.659) 16.808 2.739 ( 0.000 0.002 17.222) 17.222 3.016 ( 0.000 7.736 4.443) 8.921 3.126 ( 0.000 3.114 -10.461) 10.914 3.248 ( 0.000 8.334 -5.439) 9.951 3.629 ( 0.000 -1.436 -5.267) 5.459 3.808 ( 0.000 -0.451 10.793) 10.802 4.014 ( 0.000 -2.761 1.183) 3.003 4.021 ( 0.000 0.844 0.920) 1.249 4.165 ( 0.000 -8.251 0.591) 8.272 4.183 ( 0.000 -0.773 -1.081) 1.329 4.317 ( 0.000 -1.260 -7.125) 7.236 4.564 ( 0.000 0.561 3.677) 3.719 4.594 ( 0.000 -4.847 3.281) 5.853 4.652 ( 0.000 0.908 -4.471) 4.562 4.714 ( 0.000 1.340 -6.183) 6.327 4.854 ( 0.000 -0.597 3.928) 3.973 5.251 ( 0.000 2.425 -6.881) 7.296 5.541 ( 0.000 -5.156 5.718) 7.700 5.812 ( 0.000 -3.769 -2.011) 4.272 8.328 ( 0.000 1.985 3.422) 3.956 8.833 ( 0.000 -3.259 -12.849) 13.256 9.108 ( 0.000 -3.723 2.707) 4.603 9.326 ( 0.000 -6.892 -3.088) 7.552 9.619 ( 0.000 4.850 2.447) 5.433 9.796 ( 0.000 1.225 -0.323) 1.267 10.048 ( 0.000 -0.815 1.680) 1.867 10.129 ( 0.000 -1.319 1.048) 1.685 10.504 ( 0.000 14.317 -1.115) 14.360 10.641 ( 0.000 -0.257 -3.999) 4.008 11.092 ( 0.000 -3.346 4.505) 5.611 11.221 ( 0.000 -6.225 0.855) 6.283 ======================= Grid point 190 (62/112) ======================= q-point: ( 0.14 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 9.365 4.822 19.706) 22.345 1.248 ( 12.595 7.359 20.449) 25.119 1.931 ( 13.728 21.230 20.963) 32.842 2.357 ( -0.369 2.265 -13.300) 13.496 2.446 ( -2.638 3.871 -12.207) 13.075 2.672 ( -5.761 2.207 16.061) 17.205 2.940 ( -6.313 6.237 3.633) 9.589 3.172 ( -0.059 5.084 -4.028) 6.487 3.320 ( 8.635 5.663 -11.095) 15.157 3.448 ( -13.699 -0.237 0.143) 13.702 3.843 ( -1.655 -1.070 1.022) 2.220 4.001 ( -0.090 -1.100 1.854) 2.157 4.038 ( 1.781 -2.954 1.449) 3.741 4.133 ( -1.158 -2.524 0.147) 2.781 4.188 ( 0.090 -3.198 -0.211) 3.206 4.313 ( -0.393 -0.276 -6.025) 6.044 4.545 ( -1.121 0.070 2.294) 2.554 4.586 ( -0.682 -3.719 3.535) 5.177 4.608 ( 0.001 1.764 0.621) 1.870 4.777 ( -1.073 -0.474 -0.911) 1.485 4.926 ( 6.876 -0.689 -4.865) 8.451 5.143 ( -8.689 2.285 -2.362) 9.290 5.565 ( 1.052 -5.051 0.847) 5.228 5.729 ( -6.604 -3.151 -1.012) 7.387 8.427 ( 8.173 -0.680 -0.878) 8.248 8.840 ( 0.469 -3.655 -11.643) 12.212 9.142 ( 3.210 -4.003 1.967) 5.495 9.329 ( 0.351 -7.093 -2.640) 7.577 9.627 ( 0.742 4.458 2.196) 5.025 9.783 ( -1.326 1.782 -1.188) 2.519 10.051 ( 0.877 -3.020 4.692) 5.648 10.160 ( 2.345 0.974 0.204) 2.547 10.494 ( -0.881 13.889 -0.124) 13.917 10.619 ( -2.490 1.538 -1.084) 3.121 11.148 ( 4.905 -3.487 2.375) 6.470 11.205 ( -0.285 -5.182 1.195) 5.326 ======================= Grid point 191 (63/112) ======================= q-point: ( 0.29 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 17.580 4.339 12.780) 22.163 1.552 ( 17.002 7.038 15.684) 24.178 2.169 ( 5.839 9.133 -3.184) 11.298 2.318 ( -6.480 1.473 2.247) 7.015 2.484 ( 8.250 7.221 6.157) 12.574 2.554 ( -3.194 7.941 12.453) 15.111 2.821 ( -3.325 3.155 -1.537) 4.835 3.122 ( -4.954 5.857 -2.845) 8.182 3.145 ( -14.165 2.300 -0.884) 14.377 3.515 ( 6.454 2.042 -7.944) 10.437 3.723 ( -6.582 -0.282 -3.145) 7.300 3.989 ( -2.711 -3.743 -3.298) 5.678 4.084 ( 3.401 -2.411 3.882) 5.696 4.172 ( 4.343 0.201 -0.182) 4.351 4.202 ( 1.415 -1.962 -0.385) 2.449 4.308 ( -0.050 0.506 -4.632) 4.660 4.528 ( -0.737 -0.387 3.084) 3.194 4.567 ( -1.048 -3.240 4.056) 5.296 4.622 ( -0.006 2.546 3.789) 4.565 4.715 ( -3.932 0.222 1.098) 4.088 4.947 ( -6.120 -0.487 -2.519) 6.636 5.032 ( -0.552 2.137 -2.530) 3.358 5.555 ( -1.543 -5.672 -4.798) 7.587 5.622 ( -3.215 -3.550 -3.400) 5.873 8.594 ( 7.673 -3.311 -5.398) 9.948 8.841 ( -0.625 -4.373 -9.662) 10.624 9.221 ( 4.193 -4.834 0.737) 6.441 9.338 ( 0.335 -7.363 -1.823) 7.593 9.648 ( 1.266 3.599 1.502) 4.100 9.748 ( -1.954 2.027 -1.529) 3.204 10.090 ( 2.838 -3.348 7.334) 8.547 10.200 ( 1.360 2.021 0.642) 2.519 10.473 ( -1.045 13.195 1.970) 13.382 10.546 ( -4.206 5.147 5.084) 8.369 11.241 ( 3.469 -4.340 -1.694) 5.808 11.256 ( 5.050 -3.687 -1.172) 6.361 ======================= Grid point 192 (64/112) ======================= q-point: ( 0.43 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 17.565 2.530 10.693) 20.719 1.896 ( 15.577 6.477 11.849) 20.616 2.070 ( -13.081 3.498 9.324) 16.440 2.193 ( -8.873 5.627 2.686) 10.845 2.464 ( 4.945 6.458 0.051) 8.134 2.664 ( -7.839 4.135 3.612) 9.570 2.845 ( 6.973 1.834 -6.421) 9.655 2.960 ( -2.609 2.831 -3.532) 5.224 3.082 ( 6.347 8.395 2.696) 10.864 3.370 ( -15.497 2.984 6.469) 17.056 3.784 ( 7.401 -0.313 -9.666) 12.178 3.910 ( -5.018 -2.368 -6.175) 8.302 4.162 ( 4.021 -2.911 2.684) 5.643 4.218 ( -0.827 -2.708 0.156) 2.835 4.260 ( 3.674 1.267 -1.291) 4.095 4.305 ( -0.715 1.062 -3.352) 3.588 4.523 ( 0.690 -0.879 3.710) 3.875 4.555 ( -0.814 -1.304 3.179) 3.531 4.581 ( -1.229 0.919 5.690) 5.893 4.637 ( -4.375 1.462 2.864) 5.430 4.897 ( 1.832 0.425 -0.991) 2.125 4.975 ( -4.573 1.552 -0.979) 4.927 5.545 ( 0.776 -5.516 -8.182) 9.898 5.575 ( -1.912 -4.610 -7.318) 8.858 8.725 ( 5.314 -4.260 -7.261) 9.955 8.807 ( -2.867 -4.604 -8.334) 9.943 9.295 ( 2.926 -6.071 -0.237) 6.744 9.334 ( -0.929 -7.086 -1.049) 7.223 9.677 ( 1.566 2.772 0.480) 3.220 9.710 ( -1.774 2.198 -0.673) 2.904 10.154 ( 3.162 -1.799 6.726) 7.647 10.202 ( -1.307 0.366 3.315) 3.582 10.459 ( -0.144 11.923 4.759) 12.838 10.478 ( -2.191 9.047 6.752) 11.500 11.311 ( 2.652 -3.988 -3.877) 6.162 11.325 ( 1.444 -3.852 -3.639) 5.492 ======================= Grid point 196 (65/112) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 14.024 12.945) 19.085 1.378 ( 0.000 16.988 15.386) 22.920 2.339 ( 0.000 29.757 18.460) 35.018 2.425 ( 0.000 3.330 -18.712) 19.006 2.569 ( 0.000 5.351 -13.001) 14.059 2.747 ( 0.000 0.921 15.444) 15.472 3.214 ( 0.000 11.635 3.971) 12.294 3.252 ( 0.000 9.310 -7.159) 11.744 3.445 ( 0.000 10.906 -3.958) 11.602 3.589 ( 0.000 -2.532 -3.940) 4.683 3.789 ( 0.000 -1.805 9.157) 9.333 3.933 ( 0.000 -5.091 -0.107) 5.092 4.024 ( 0.000 -5.390 0.548) 5.418 4.046 ( 0.000 1.676 -0.132) 1.681 4.169 ( 0.000 -0.658 -2.125) 2.224 4.276 ( 0.000 -2.392 -7.533) 7.904 4.488 ( 0.000 -5.967 4.462) 7.451 4.558 ( 0.000 -1.469 0.732) 1.641 4.688 ( 0.000 2.667 -2.281) 3.509 4.748 ( 0.000 2.044 -3.690) 4.218 4.843 ( 0.000 -0.402 4.429) 4.447 5.267 ( 0.000 -1.054 -7.278) 7.354 5.406 ( 0.000 -7.949 6.093) 10.015 5.712 ( 0.000 -6.136 -1.833) 6.404 8.383 ( 0.000 3.471 3.235) 4.744 8.760 ( 0.000 -3.903 -8.237) 9.115 9.022 ( 0.000 -4.780 1.982) 5.175 9.184 ( 0.000 -7.457 -2.081) 7.742 9.696 ( 0.000 1.733 1.266) 2.146 9.735 ( 0.000 -4.469 3.509) 5.682 10.084 ( 0.000 -3.219 0.135) 3.222 10.095 ( 0.000 1.488 -4.087) 4.349 10.650 ( 0.000 1.339 -0.228) 1.358 10.757 ( 0.000 10.678 -3.855) 11.353 11.027 ( 0.000 -2.373 5.086) 5.612 11.118 ( 0.000 -2.749 2.082) 3.448 ======================= Grid point 197 (66/112) ======================= q-point: ( 0.14 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 9.784 13.502 10.874) 19.906 1.475 ( 9.367 14.787 14.143) 22.504 2.345 ( -1.628 10.399 -9.445) 14.142 2.481 ( 5.311 17.569 5.922) 19.286 2.551 ( -0.030 7.835 -2.721) 8.294 2.729 ( -0.691 3.180 9.577) 10.115 3.106 ( -8.637 10.138 3.980) 13.900 3.316 ( 2.034 9.257 -5.130) 10.777 3.437 ( -10.792 -0.729 -1.765) 10.960 3.476 ( 2.969 9.203 -3.754) 10.373 3.804 ( -1.519 -2.961 1.702) 3.738 3.932 ( -0.889 -4.903 -1.440) 5.187 4.012 ( -0.843 -0.170 0.724) 1.124 4.056 ( 2.940 -3.085 1.273) 4.448 4.166 ( 0.090 -0.655 -1.141) 1.318 4.294 ( 1.153 -1.289 -6.515) 6.741 4.489 ( 0.239 -5.354 4.473) 6.981 4.542 ( -0.884 -0.837 0.562) 1.341 4.663 ( 0.119 3.003 0.798) 3.109 4.773 ( -1.375 0.410 -0.039) 1.436 4.908 ( 5.514 -0.952 -2.754) 6.237 5.164 ( -7.616 -0.424 -2.865) 8.148 5.433 ( 0.710 -7.792 0.899) 7.875 5.641 ( -6.078 -5.591 -0.632) 8.283 8.434 ( 4.590 1.551 1.420) 5.049 8.761 ( -0.075 -4.070 -7.601) 8.623 9.052 ( 2.697 -5.045 1.533) 5.922 9.185 ( 0.156 -7.423 -1.547) 7.584 9.683 ( -0.650 0.184 1.442) 1.593 9.745 ( 0.168 -3.372 1.520) 3.703 10.040 ( -0.504 -0.471 1.335) 1.503 10.169 ( 3.353 -1.233 -1.124) 3.745 10.664 ( 1.091 3.668 0.100) 3.828 10.749 ( -0.774 10.493 -3.098) 10.968 11.076 ( 4.311 -2.786 2.839) 5.866 11.120 ( 0.817 -2.093 2.092) 3.069 ======================= Grid point 198 (67/112) ======================= q-point: ( 0.29 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 15.110 10.995 8.260) 20.431 1.732 ( 15.367 11.188 11.538) 22.236 2.307 ( -0.792 4.273 -10.275) 11.156 2.405 ( -9.091 6.902 3.651) 11.984 2.702 ( 6.727 12.278 3.058) 14.330 2.775 ( 5.665 14.967 10.931) 19.381 2.900 ( -9.374 5.107 3.072) 11.109 3.177 ( -12.396 2.082 0.014) 12.570 3.297 ( -3.316 9.714 -6.296) 12.041 3.576 ( 1.840 3.922 -2.596) 5.051 3.725 ( -2.360 0.957 -3.564) 4.380 3.903 ( -1.697 -4.249 -2.549) 5.237 4.037 ( 2.704 -2.006 2.391) 4.130 4.132 ( 3.262 -2.910 0.683) 4.424 4.192 ( 3.028 -0.321 -1.358) 3.334 4.310 ( 0.445 -0.272 -5.311) 5.337 4.499 ( 0.818 -3.394 4.223) 5.480 4.528 ( -0.595 -0.130 1.298) 1.434 4.663 ( -2.151 1.165 3.730) 4.461 4.734 ( -1.162 1.984 0.541) 2.362 4.924 ( -4.505 -1.615 -3.122) 5.714 5.067 ( -1.502 0.902 -3.422) 3.844 5.413 ( -2.001 -8.170 -2.308) 8.722 5.524 ( -4.553 -6.148 -1.102) 7.729 8.541 ( 5.517 -1.470 -1.615) 5.933 8.750 ( -1.081 -4.375 -6.461) 7.878 9.116 ( 3.256 -5.716 0.820) 6.629 9.190 ( 0.321 -7.303 -0.624) 7.337 9.678 ( 0.188 -0.793 0.859) 1.185 9.732 ( -1.192 -2.817 -0.514) 3.102 10.070 ( 3.014 -0.302 5.430) 6.218 10.210 ( 0.652 -1.975 2.097) 2.954 10.682 ( 0.574 8.425 1.280) 8.541 10.727 ( -1.310 11.182 -0.804) 11.287 11.158 ( 3.787 -2.913 -0.966) 4.874 11.182 ( 4.458 -2.777 -0.103) 5.254 ======================= Grid point 199 (68/112) ======================= q-point: ( 0.43 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 15.136 7.679 8.069) 18.793 2.024 ( 7.485 6.602 11.104) 14.930 2.194 ( -5.185 8.535 4.893) 11.121 2.315 ( -3.235 6.842 -2.528) 7.979 2.632 ( -2.802 9.138 4.913) 10.747 2.761 ( -10.530 4.191 1.631) 11.451 2.924 ( 7.737 6.746 -6.087) 11.934 3.050 ( -3.069 6.142 -5.646) 8.890 3.278 ( 5.260 10.986 1.814) 12.315 3.460 ( -9.662 6.123 4.931) 12.456 3.787 ( 4.595 0.892 -5.653) 7.339 3.860 ( -2.749 -2.163 -3.679) 5.077 4.104 ( 3.612 -2.659 2.350) 5.063 4.156 ( -0.874 -3.426 1.602) 3.882 4.269 ( 3.358 -0.580 -3.525) 4.903 4.309 ( -0.793 -0.538 -4.745) 4.841 4.520 ( 1.110 -0.009 2.933) 3.136 4.541 ( 2.042 0.298 2.558) 3.287 4.592 ( -2.235 -0.003 4.189) 4.748 4.669 ( -5.872 1.792 2.580) 6.660 4.901 ( 3.261 -0.068 -1.981) 3.816 4.999 ( -5.268 0.589 -2.146) 5.719 5.405 ( 1.473 -8.110 -4.539) 9.410 5.453 ( -2.963 -7.352 -4.109) 8.928 8.642 ( 4.368 -3.417 -3.858) 6.756 8.713 ( -2.679 -4.300 -5.331) 7.354 9.169 ( 1.928 -6.468 0.358) 6.759 9.192 ( -0.377 -6.997 -0.015) 7.007 9.689 ( 0.776 -1.489 0.100) 1.682 9.708 ( -1.098 -2.144 -0.558) 2.473 10.139 ( 3.443 -1.024 6.553) 7.473 10.196 ( -1.972 -1.909 5.113) 5.803 10.691 ( 0.444 11.451 1.912) 11.618 10.703 ( -0.906 12.105 1.207) 12.198 11.229 ( 2.672 -3.234 -2.980) 5.146 11.245 ( 1.306 -3.314 -2.650) 4.440 ======================= Grid point 203 (69/112) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 19.697 1.853) 19.784 1.735 ( 0.000 18.604 8.603) 20.497 2.484 ( 0.000 2.950 -16.699) 16.957 2.684 ( 0.000 6.373 -14.055) 15.432 2.772 ( 0.000 3.124 16.588) 16.879 2.926 ( 0.000 26.971 12.622) 29.778 3.444 ( 0.000 5.869 -8.262) 10.134 3.452 ( 0.000 11.894 3.097) 12.291 3.539 ( 0.000 1.159 1.426) 1.837 3.648 ( 0.000 7.539 -2.411) 7.915 3.726 ( 0.000 -4.420 5.525) 7.075 3.836 ( 0.000 -3.700 -1.603) 4.032 3.964 ( 0.000 -0.856 1.133) 1.420 4.085 ( 0.000 1.990 -1.966) 2.798 4.160 ( 0.000 0.264 -2.104) 2.120 4.236 ( 0.000 -1.591 -6.336) 6.533 4.360 ( 0.000 -6.789 4.592) 8.196 4.507 ( 0.000 -3.619 -2.186) 4.228 4.748 ( 0.000 3.260 -0.040) 3.261 4.789 ( 0.000 2.007 -1.046) 2.264 4.840 ( 0.000 0.056 3.748) 3.748 5.211 ( 0.000 -4.375 -5.707) 7.191 5.249 ( 0.000 -7.472 6.904) 10.173 5.577 ( 0.000 -7.501 -2.156) 7.805 8.459 ( 0.000 4.062 2.853) 4.964 8.686 ( 0.000 -3.388 -3.283) 4.718 8.920 ( 0.000 -5.541 1.013) 5.633 9.036 ( 0.000 -7.350 -2.251) 7.687 9.661 ( 0.000 -2.993 1.104) 3.190 9.676 ( 0.000 -3.064 -0.692) 3.141 9.996 ( 0.000 -5.888 0.718) 5.931 10.054 ( 0.000 -5.259 -1.856) 5.577 10.698 ( 0.000 3.525 1.807) 3.961 10.901 ( 0.000 3.953 -4.781) 6.204 11.026 ( 0.000 2.395 6.419) 6.851 11.143 ( 0.000 4.716 1.598) 4.980 ======================= Grid point 204 (70/112) ======================= q-point: ( 0.14 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 7.204 17.813 2.509) 19.378 1.802 ( 6.691 17.851 7.966) 20.661 2.436 ( -3.531 3.253 -11.955) 12.883 2.670 ( -3.037 7.530 -7.075) 10.770 2.781 ( 1.573 2.567 3.805) 4.852 2.993 ( 6.668 25.180 13.752) 29.455 3.305 ( -11.613 8.674 4.660) 15.225 3.402 ( -8.076 -2.587 -3.063) 9.016 3.517 ( -0.099 9.977 -3.213) 10.482 3.650 ( 0.877 7.088 -1.596) 7.318 3.735 ( 0.327 -3.171 2.087) 3.810 3.857 ( 1.300 -1.553 -2.049) 2.881 4.005 ( 2.650 -0.737 -1.178) 2.992 4.040 ( -2.264 1.263 -0.038) 2.593 4.154 ( -0.098 -0.188 -1.080) 1.101 4.264 ( 1.898 -1.845 -6.037) 6.592 4.380 ( 2.002 -5.439 3.984) 7.033 4.502 ( -0.179 -3.262 -1.539) 3.611 4.720 ( -0.993 2.643 1.910) 3.409 4.798 ( -1.334 1.920 0.494) 2.390 4.892 ( 3.955 -0.706 -0.368) 4.034 5.129 ( -5.219 -2.889 -0.933) 6.038 5.277 ( 0.424 -7.548 1.300) 7.671 5.513 ( -5.723 -7.237 -1.107) 9.292 8.483 ( 2.267 3.161 2.040) 4.392 8.687 ( -0.083 -3.259 -3.276) 4.622 8.944 ( 2.167 -5.848 1.070) 6.327 9.041 ( 0.512 -7.025 -1.612) 7.226 9.649 ( -0.734 -2.479 0.433) 2.622 9.677 ( -0.330 -3.752 -0.701) 3.831 9.991 ( 0.473 -4.803 1.721) 5.124 10.086 ( 1.960 -6.827 -0.271) 7.108 10.744 ( 4.153 4.441 1.121) 6.183 10.902 ( 0.194 5.097 -3.527) 6.202 11.065 ( 3.508 1.773 4.507) 5.980 11.151 ( 0.945 4.707 1.274) 4.967 ======================= Grid point 205 (71/112) ======================= q-point: ( 0.29 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 11.395 13.757 3.899) 18.284 1.992 ( 11.428 15.045 7.619) 20.371 2.385 ( -1.062 3.921 -5.412) 6.767 2.558 ( -7.054 8.524 -0.006) 11.064 2.840 ( 3.463 3.099 -7.381) 8.723 3.029 ( -14.342 7.074 6.329) 17.198 3.121 ( -0.615 13.444 9.383) 16.406 3.221 ( -4.045 4.956 -2.235) 6.776 3.480 ( -2.593 8.307 -5.525) 10.308 3.659 ( -1.476 4.911 0.162) 5.131 3.763 ( 3.018 2.256 -0.284) 3.778 3.862 ( -0.618 1.051 -2.266) 2.574 4.015 ( 1.802 -0.126 -0.064) 1.808 4.077 ( 2.004 -2.349 1.167) 3.301 4.178 ( 2.720 -1.187 -2.021) 3.590 4.290 ( 0.583 -1.959 -5.590) 5.952 4.436 ( 3.492 -2.704 2.845) 5.253 4.506 ( 0.673 -2.373 -0.393) 2.498 4.678 ( -3.941 0.766 3.472) 5.308 4.783 ( -0.162 2.475 0.086) 2.481 4.895 ( -3.469 -1.083 -0.849) 3.733 5.065 ( -1.303 -0.959 -2.365) 2.866 5.256 ( -1.944 -7.273 0.154) 7.529 5.389 ( -5.531 -7.292 0.144) 9.153 8.540 ( 3.160 1.202 0.277) 3.392 8.678 ( -0.898 -2.856 -3.154) 4.349 8.996 ( 2.662 -6.384 1.199) 7.020 9.055 ( 0.708 -6.449 -0.385) 6.499 9.639 ( -0.229 -2.529 -0.093) 2.541 9.663 ( -0.846 -3.729 -1.004) 3.953 10.022 ( 2.266 -5.180 3.646) 6.728 10.111 ( 0.448 -7.668 2.097) 7.962 10.836 ( 4.286 6.983 0.724) 8.226 10.910 ( 0.559 7.486 -1.425) 7.641 11.144 ( 3.884 1.284 1.182) 4.258 11.185 ( 2.313 3.173 -0.022) 3.926 ======================= Grid point 206 (72/112) ======================= q-point: ( 0.43 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 11.544 9.868 5.688) 16.217 2.169 ( 0.517 8.175 10.506) 13.322 2.384 ( 3.180 10.518 -0.732) 11.013 2.473 ( -0.893 9.164 -2.802) 9.625 2.762 ( -7.213 3.111 5.421) 9.545 2.824 ( -8.954 2.999 1.027) 9.498 3.065 ( 4.394 6.118 -9.768) 12.336 3.191 ( -5.435 6.738 -8.923) 12.432 3.505 ( 5.037 11.916 3.150) 13.315 3.603 ( -3.917 8.054 2.421) 9.277 3.819 ( 2.059 1.993 -0.362) 2.888 3.847 ( -0.891 1.437 -1.012) 1.971 4.068 ( 2.551 -0.944 1.050) 2.915 4.096 ( -0.118 -2.283 1.714) 2.857 4.240 ( 2.877 -2.245 -4.487) 5.784 4.284 ( -1.303 -2.074 -5.615) 6.126 4.508 ( 2.975 -1.002 2.731) 4.161 4.555 ( 5.352 0.055 0.596) 5.385 4.583 ( -4.479 -0.320 3.591) 5.750 4.699 ( -7.416 0.835 0.418) 7.475 4.898 ( 3.790 0.038 -0.512) 3.825 4.997 ( -5.270 -0.593 -1.569) 5.531 5.251 ( 1.728 -6.956 -0.745) 7.206 5.304 ( -3.284 -7.269 -0.888) 8.025 8.602 ( 2.804 -0.705 -1.426) 3.223 8.649 ( -1.924 -2.063 -2.595) 3.833 9.041 ( 1.730 -6.488 1.112) 6.806 9.061 ( -0.259 -6.311 0.585) 6.343 9.639 ( 0.275 -2.921 -0.512) 2.978 9.648 ( -0.597 -3.330 -0.858) 3.490 10.069 ( 2.206 -6.378 4.362) 8.036 10.104 ( -1.132 -7.365 3.782) 8.356 10.899 ( 1.908 9.366 1.042) 9.615 10.917 ( -0.079 9.458 0.424) 9.468 11.209 ( 2.218 1.020 -1.283) 2.758 11.223 ( 0.871 1.229 -1.420) 2.071 ======================= Grid point 210 (73/112) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.000 19.358 -4.235) 19.816 2.089 ( 0.000 16.757 1.501) 16.824 2.551 ( 0.000 3.953 -9.853) 10.616 2.758 ( 0.000 1.546 -2.970) 3.348 2.886 ( 0.000 8.002 5.247) 9.569 3.385 ( 0.000 16.529 6.198) 17.653 3.388 ( 0.000 -6.144 -4.562) 7.652 3.589 ( 0.000 -0.767 2.522) 2.636 3.619 ( 0.000 -2.408 2.634) 3.569 3.723 ( 0.000 4.157 -2.010) 4.617 3.725 ( 0.000 9.264 4.536) 10.315 3.852 ( 0.000 4.347 -3.273) 5.442 3.970 ( 0.000 1.023 0.931) 1.384 4.098 ( 0.000 -0.352 -3.550) 3.567 4.206 ( 0.000 -2.545 -1.782) 3.107 4.221 ( 0.000 5.433 -0.784) 5.489 4.246 ( 0.000 -3.099 1.356) 3.383 4.418 ( 0.000 -5.235 -3.968) 6.569 4.803 ( 0.000 1.622 3.437) 3.801 4.824 ( 0.000 1.460 1.098) 1.827 4.851 ( 0.000 1.645 -0.254) 1.664 5.113 ( 0.000 -5.072 -3.732) 6.297 5.129 ( 0.000 -4.454 7.565) 8.778 5.418 ( 0.000 -8.512 -1.879) 8.717 8.538 ( 0.000 3.854 2.112) 4.395 8.633 ( 0.000 -1.851 -0.036) 1.851 8.809 ( 0.000 -5.565 0.295) 5.573 8.899 ( 0.000 -6.502 -2.344) 6.911 9.610 ( 0.000 -3.021 -1.228) 3.261 9.614 ( 0.000 -1.883 -0.937) 2.103 9.862 ( 0.000 -7.123 1.068) 7.203 9.919 ( 0.000 -7.644 -0.287) 7.650 10.779 ( 0.000 4.338 1.529) 4.599 10.943 ( 0.000 0.877 -3.631) 3.735 11.107 ( 0.000 5.288 7.306) 9.019 11.247 ( 0.000 4.722 1.435) 4.935 ======================= Grid point 211 (74/112) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 3.510 17.054 -1.765) 17.501 2.158 ( 6.396 17.624 0.818) 18.766 2.499 ( -3.668 3.178 -5.404) 7.264 2.805 ( 2.266 3.491 -10.207) 11.023 2.848 ( -2.563 6.577 7.356) 10.195 3.319 ( -6.865 -4.941 0.305) 8.463 3.393 ( -8.493 1.200 2.488) 8.931 3.405 ( -3.206 10.878 2.692) 11.656 3.635 ( -1.170 2.395 0.901) 2.814 3.741 ( 4.094 5.764 1.953) 7.335 3.790 ( 1.889 7.494 0.318) 7.735 3.879 ( 2.254 2.881 -2.855) 4.640 3.996 ( 2.119 -0.156 -0.662) 2.225 4.064 ( -2.692 0.580 -3.382) 4.362 4.169 ( -2.403 0.453 1.099) 2.680 4.223 ( 1.093 -1.488 -3.230) 3.720 4.309 ( 4.282 -0.459 0.719) 4.367 4.418 ( 0.290 -4.984 -2.973) 5.810 4.765 ( -2.283 1.842 3.011) 4.204 4.836 ( -1.116 1.277 -0.337) 1.729 4.884 ( 2.967 0.312 1.763) 3.465 5.067 ( -2.756 -2.953 1.067) 4.178 5.149 ( 0.436 -5.226 2.362) 5.752 5.362 ( -5.115 -7.966 -1.345) 9.563 8.550 ( 1.182 3.518 1.754) 4.105 8.638 ( 0.335 -1.579 -0.240) 1.632 8.828 ( 1.787 -5.685 0.567) 5.986 8.910 ( 1.008 -6.288 -1.672) 6.584 9.605 ( -0.444 -2.074 -1.060) 2.371 9.609 ( -0.390 -2.505 -1.111) 2.767 9.863 ( 0.356 -7.346 1.518) 7.510 9.928 ( 0.637 -8.451 0.157) 8.477 10.835 ( 5.144 4.553 1.198) 6.973 10.969 ( 2.453 2.051 -2.874) 4.299 11.134 ( 2.497 4.708 6.111) 8.108 11.254 ( 0.591 4.664 1.113) 4.832 ======================= Grid point 212 (75/112) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 7.342 13.075 1.819) 15.105 2.308 ( 6.513 16.334 4.879) 18.249 2.461 ( 1.756 3.715 -4.290) 5.940 2.728 ( -5.980 8.023 -0.358) 10.012 2.876 ( 0.421 1.073 -4.462) 4.608 3.121 ( -12.026 2.149 4.135) 12.898 3.166 ( -8.135 -1.807 -1.393) 8.449 3.378 ( -3.683 2.688 -5.938) 7.487 3.651 ( 2.664 8.732 2.567) 9.483 3.790 ( -0.620 8.302 -0.527) 8.342 3.832 ( 3.134 5.132 1.867) 6.297 3.908 ( 0.324 2.520 -1.219) 2.818 4.025 ( 1.211 0.805 -2.327) 2.744 4.052 ( 1.485 -0.556 -2.057) 2.597 4.145 ( 0.441 -1.753 0.240) 1.823 4.241 ( 0.422 -2.491 -4.294) 4.982 4.406 ( 5.102 -0.159 0.735) 5.158 4.439 ( 2.097 -4.009 -0.903) 4.614 4.696 ( -4.675 1.025 3.041) 5.670 4.811 ( -2.472 -0.149 -0.827) 2.611 4.892 ( -1.379 1.072 2.853) 3.345 5.037 ( -0.497 -1.612 0.579) 1.783 5.138 ( -1.274 -4.586 1.724) 5.062 5.250 ( -4.887 -6.503 0.032) 8.135 8.580 ( 1.604 2.621 0.920) 3.207 8.641 ( -0.100 -0.804 -0.565) 0.988 8.873 ( 2.462 -5.852 1.109) 6.445 8.932 ( 0.952 -6.064 -0.340) 6.147 9.595 ( -0.454 -1.711 -0.993) 2.030 9.600 ( -0.418 -2.327 -1.161) 2.634 9.879 ( 1.193 -8.354 2.193) 8.719 9.936 ( 0.037 -9.387 1.076) 9.448 10.958 ( 6.301 5.422 1.038) 8.377 11.030 ( 3.165 4.681 -0.930) 5.726 11.195 ( 3.139 3.384 3.214) 5.624 11.267 ( 0.610 4.104 0.190) 4.153 ======================= Grid point 213 (76/112) ======================= q-point: ( 0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 8.388 9.802 4.701) 13.730 2.336 ( -3.164 8.334 9.023) 12.684 2.605 ( 8.647 11.702 -4.422) 15.207 2.647 ( 0.318 6.974 -0.920) 7.042 2.777 ( -6.591 -0.816 4.498) 8.021 2.884 ( -11.604 3.756 0.592) 12.212 3.145 ( 4.763 1.823 -9.903) 11.139 3.269 ( -6.553 1.205 -10.452) 12.395 3.709 ( 2.663 6.988 0.932) 7.536 3.756 ( -2.163 6.922 -0.789) 7.295 3.879 ( 1.736 4.624 2.545) 5.556 3.905 ( -0.717 4.010 1.920) 4.503 4.062 ( 1.653 -0.053 -2.513) 3.009 4.074 ( 0.472 -0.381 -2.054) 2.142 4.186 ( 2.945 -2.734 -2.655) 4.816 4.233 ( -1.368 -2.863 -4.458) 5.471 4.484 ( 3.868 -1.444 1.732) 4.478 4.538 ( 6.323 -0.799 2.384) 6.805 4.588 ( -5.144 0.434 1.437) 5.359 4.694 ( -7.746 -1.179 0.315) 7.842 4.911 ( 2.898 1.299 2.070) 3.791 4.987 ( -4.173 -0.098 0.646) 4.223 5.139 ( 1.571 -4.494 1.511) 4.994 5.181 ( -2.452 -5.061 0.725) 5.671 8.610 ( 1.360 1.472 0.068) 2.005 8.632 ( -0.788 0.284 -0.485) 0.968 8.917 ( 1.793 -5.984 1.251) 6.370 8.939 ( -0.343 -6.051 0.739) 6.106 9.590 ( -0.016 -1.830 -1.044) 2.107 9.593 ( -0.284 -1.970 -1.110) 2.279 9.906 ( 1.328 -9.297 2.345) 9.680 9.928 ( -0.800 -9.660 1.912) 9.880 11.058 ( 3.153 6.873 1.594) 7.728 11.077 ( 1.098 6.850 1.096) 7.024 11.248 ( 1.977 2.323 0.238) 3.059 11.271 ( -0.383 2.785 -0.722) 2.903 ======================= Grid point 217 (77/112) ======================= q-point: ( 0.00 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 14.451 -6.671) 15.917 2.363 ( 0.000 9.780 -6.374) 11.674 2.640 ( 0.000 5.005 -1.798) 5.318 2.770 ( 0.000 -0.370 -3.845) 3.863 3.042 ( 0.000 7.031 5.833) 9.136 3.257 ( 0.000 -6.599 -0.427) 6.612 3.434 ( 0.000 -3.600 2.473) 4.367 3.517 ( 0.000 -5.969 0.895) 6.036 3.690 ( 0.000 5.151 1.705) 5.426 3.752 ( 0.000 -0.852 1.662) 1.868 3.936 ( 0.000 9.293 3.627) 9.976 3.959 ( 0.000 5.001 -4.375) 6.644 3.998 ( 0.000 2.364 -2.570) 3.491 4.090 ( 0.000 -0.423 -4.063) 4.085 4.160 ( 0.000 -0.217 1.988) 1.999 4.246 ( 0.000 1.912 -0.627) 2.012 4.300 ( 0.000 -2.654 -3.006) 4.010 4.321 ( 0.000 -0.416 0.636) 0.760 4.818 ( 0.000 0.777 2.477) 2.596 4.844 ( 0.000 0.529 2.124) 2.189 4.906 ( 0.000 3.291 -1.485) 3.610 5.024 ( 0.000 -3.824 -2.144) 4.384 5.077 ( 0.000 -0.725 7.110) 7.147 5.250 ( 0.000 -8.169 -0.195) 8.171 8.610 ( 0.000 3.537 0.942) 3.660 8.617 ( 0.000 0.213 0.989) 1.011 8.711 ( 0.000 -4.161 0.376) 4.178 8.782 ( 0.000 -5.309 -1.561) 5.533 9.571 ( 0.000 -0.865 -1.231) 1.504 9.584 ( 0.000 -1.104 -1.817) 2.126 9.743 ( 0.000 -4.328 0.868) 4.414 9.780 ( 0.000 -5.844 0.411) 5.859 10.858 ( 0.000 3.512 0.447) 3.540 10.944 ( 0.000 -0.741 -2.226) 2.346 11.213 ( 0.000 5.025 6.672) 8.353 11.307 ( 0.000 1.108 2.827) 3.037 ======================= Grid point 218 (78/112) ======================= q-point: ( 0.14 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.402 12.915 -3.205) 13.312 2.437 ( 5.706 6.985 -8.107) 12.127 2.586 ( -2.821 8.203 1.931) 8.887 2.834 ( 4.255 0.061 -6.984) 8.178 2.989 ( -5.065 6.131 4.495) 9.135 3.200 ( -5.423 -6.571 2.573) 8.900 3.350 ( -8.297 -2.094 1.218) 8.644 3.445 ( -4.303 -3.661 0.073) 5.650 3.717 ( 1.756 3.051 2.603) 4.378 3.804 ( 4.218 -0.295 -0.275) 4.237 3.953 ( 0.739 6.043 -2.059) 6.427 3.973 ( 1.436 5.156 1.283) 5.504 4.008 ( 0.897 3.477 -3.823) 5.244 4.073 ( -1.482 0.538 -4.674) 4.933 4.152 ( -0.902 -0.195 1.564) 1.816 4.225 ( -1.446 0.488 -1.478) 2.124 4.321 ( 1.608 -3.585 -2.992) 4.939 4.343 ( 2.589 1.343 1.993) 3.533 4.792 ( -2.528 1.064 2.525) 3.728 4.834 ( -1.284 -0.808 0.738) 1.687 4.918 ( 1.078 2.664 1.517) 3.249 5.016 ( -0.883 -2.361 0.822) 2.651 5.081 ( 0.328 -1.447 4.071) 4.333 5.210 ( -3.481 -7.062 -0.231) 7.877 8.618 ( 0.761 2.912 0.969) 3.162 8.629 ( 0.958 1.039 0.788) 1.618 8.729 ( 1.690 -4.184 0.610) 4.553 8.795 ( 1.138 -5.301 -1.068) 5.526 9.574 ( 0.291 -0.541 -1.157) 1.310 9.582 ( -0.229 -0.728 -1.608) 1.780 9.736 ( -0.575 -4.890 1.001) 5.024 9.776 ( -0.419 -6.460 0.391) 6.486 10.915 ( 5.340 3.466 0.375) 6.377 10.988 ( 4.157 -0.061 -1.848) 4.550 11.231 ( 1.555 4.614 5.969) 7.703 11.313 ( 0.589 1.218 2.477) 2.823 ======================= Grid point 219 (79/112) ======================= q-point: ( 0.29 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 4.215 10.475 1.091) 11.344 2.488 ( -0.466 0.679 2.079) 2.237 2.638 ( 7.661 14.347 -3.587) 16.656 2.845 ( -7.755 3.634 0.725) 8.595 2.886 ( -2.415 -0.344 -2.213) 3.294 3.086 ( -2.825 -5.679 0.054) 6.343 3.171 ( -8.475 3.399 0.129) 9.132 3.356 ( -4.790 -3.467 -4.258) 7.287 3.753 ( 1.863 2.897 1.434) 3.731 3.890 ( 3.826 -0.752 -1.097) 4.051 3.932 ( -2.996 4.265 -3.765) 6.430 3.992 ( -0.015 2.298 1.548) 2.771 4.031 ( 1.377 2.967 -4.419) 5.498 4.059 ( 0.211 2.281 -5.039) 5.535 4.137 ( 0.029 0.160 0.727) 0.745 4.201 ( -1.026 -1.638 -2.546) 3.196 4.371 ( 3.675 -1.403 0.143) 3.937 4.421 ( 4.952 0.482 1.679) 5.251 4.717 ( -4.845 1.128 2.370) 5.511 4.782 ( -4.331 -2.149 0.770) 4.896 4.930 ( 0.034 2.334 3.878) 4.526 5.007 ( 0.500 -1.504 2.712) 3.141 5.076 ( -1.147 -1.611 2.211) 2.967 5.141 ( -2.706 -4.416 0.386) 5.193 8.637 ( 1.043 2.849 0.889) 3.162 8.648 ( 0.839 1.738 0.569) 2.012 8.770 ( 2.186 -4.478 1.009) 5.084 8.818 ( 0.935 -5.359 -0.089) 5.441 9.577 ( -0.219 -0.012 -1.165) 1.185 9.579 ( 0.146 0.235 -1.034) 1.070 9.728 ( -0.067 -6.341 1.123) 6.440 9.765 ( -0.649 -7.452 0.419) 7.492 11.048 ( 7.105 3.582 0.549) 7.976 11.093 ( 5.664 1.651 -0.766) 5.949 11.264 ( 1.490 3.420 4.163) 5.590 11.323 ( 0.084 1.298 1.553) 2.025 ======================= Grid point 220 (80/112) ======================= q-point: ( 0.43 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 6.503 8.551 4.296) 11.570 2.482 ( -1.181 6.025 6.927) 9.257 2.697 ( -4.052 -1.245 2.628) 4.988 2.734 ( -5.025 -2.487 5.016) 7.523 2.839 ( 6.858 10.727 -5.822) 14.000 3.006 ( -8.318 7.907 -2.812) 11.816 3.134 ( 5.281 -2.991 -8.141) 10.154 3.249 ( -5.787 -3.033 -7.591) 10.015 3.796 ( 2.555 3.491 -0.643) 4.374 3.859 ( -3.631 4.166 -2.675) 6.140 3.949 ( 2.022 0.109 -0.045) 2.026 3.979 ( -1.114 0.723 0.999) 1.662 4.056 ( 0.831 0.790 -5.625) 5.741 4.062 ( 0.066 0.865 -5.841) 5.905 4.154 ( 1.243 -1.519 -0.917) 2.167 4.179 ( -1.176 -2.456 -2.132) 3.459 4.472 ( 6.145 0.939 2.239) 6.608 4.533 ( 5.960 -0.185 2.449) 6.446 4.603 ( -6.217 1.237 1.701) 6.563 4.665 ( -6.656 -1.597 1.827) 7.084 4.948 ( 1.979 2.370 3.506) 4.672 4.998 ( -2.353 1.207 2.188) 3.432 5.065 ( 1.230 -3.183 2.861) 4.453 5.100 ( -1.816 -3.368 1.775) 4.218 8.655 ( 0.596 2.833 0.745) 2.989 8.659 ( 0.189 2.447 0.595) 2.526 8.808 ( 1.463 -5.054 1.060) 5.367 8.826 ( -0.262 -5.382 0.683) 5.432 9.575 ( 0.098 0.516 -0.902) 1.044 9.579 ( -0.167 0.675 -0.912) 1.147 9.734 ( 0.672 -7.534 0.962) 7.624 9.750 ( -0.818 -7.870 0.643) 7.939 11.170 ( 4.333 4.410 1.503) 6.362 11.188 ( 2.896 4.211 1.070) 5.221 11.283 ( 0.595 1.123 1.488) 1.957 11.309 ( -1.493 0.751 0.420) 1.723 ======================= Grid point 224 (81/112) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.000 -3.614 -7.565) 8.384 2.428 ( 0.000 3.614 -7.565) 8.384 2.733 ( 0.000 -3.620 -3.861) 5.293 2.733 ( 0.000 3.620 -3.861) 5.293 3.149 ( 0.000 -4.434 6.145) 7.578 3.149 ( 0.000 4.434 6.145) 7.578 3.420 ( 0.000 -2.899 1.002) 3.067 3.420 ( 0.000 2.899 1.002) 3.067 3.732 ( 0.000 -0.803 1.739) 1.915 3.732 ( 0.000 0.803 1.739) 1.915 4.009 ( 0.000 -0.143 -1.670) 1.676 4.009 ( 0.000 0.143 -1.670) 1.676 4.072 ( 0.000 -2.177 -4.812) 5.282 4.072 ( 0.000 2.177 -4.812) 5.282 4.205 ( 0.000 -4.324 -1.419) 4.551 4.205 ( 0.000 4.324 -1.419) 4.551 4.304 ( 0.000 -3.008 3.043) 4.279 4.304 ( 0.000 3.008 3.043) 4.279 4.840 ( 0.000 -1.014 1.644) 1.932 4.840 ( 0.000 1.014 1.644) 1.932 4.963 ( 0.000 -2.550 -1.236) 2.834 4.963 ( 0.000 2.550 -1.236) 2.834 5.115 ( 0.000 -4.843 3.559) 6.010 5.115 ( 0.000 4.843 3.559) 6.010 8.640 ( 0.000 -1.923 0.625) 2.022 8.640 ( 0.000 1.923 0.625) 2.022 8.691 ( 0.000 -3.783 -0.137) 3.786 8.691 ( 0.000 3.783 -0.137) 3.786 9.569 ( 0.000 -0.456 -1.684) 1.744 9.569 ( 0.000 0.456 -1.684) 1.744 9.708 ( 0.000 -1.069 0.723) 1.290 9.708 ( 0.000 1.069 0.723) 1.290 10.915 ( 0.000 -2.196 -0.846) 2.353 10.915 ( 0.000 2.196 -0.846) 2.353 11.291 ( 0.000 -2.571 4.888) 5.523 11.291 ( 0.000 2.571 4.888) 5.523 ======================= Grid point 226 (82/112) ======================= q-point: ( 0.14 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -0.158 -6.038 -4.229) 7.373 2.423 ( -0.158 6.038 -4.229) 7.373 2.775 ( 3.833 -7.134 -6.109) 10.145 2.775 ( 3.833 7.134 -6.109) 10.145 3.084 ( -6.398 -4.643 6.030) 9.942 3.084 ( -6.398 4.643 6.030) 9.942 3.364 ( -4.567 -3.401 1.111) 5.802 3.364 ( -4.567 3.401 1.111) 5.802 3.764 ( 2.598 -2.578 0.883) 3.765 3.764 ( 2.598 2.578 0.883) 3.765 4.008 ( -0.198 -0.444 -1.812) 1.876 4.008 ( -0.198 0.444 -1.812) 1.876 4.080 ( 0.605 -0.550 -5.364) 5.426 4.080 ( 0.605 0.550 -5.364) 5.426 4.187 ( -1.542 -3.569 -1.700) 4.243 4.187 ( -1.542 3.569 -1.700) 4.243 4.327 ( 2.288 -2.731 2.983) 4.647 4.327 ( 2.288 2.731 2.983) 4.647 4.814 ( -2.355 -1.202 1.666) 3.125 4.814 ( -2.355 1.202 1.666) 3.125 4.971 ( 0.234 -2.409 0.837) 2.561 4.971 ( 0.234 2.409 0.837) 2.561 5.100 ( -1.116 -3.561 2.587) 4.540 5.100 ( -1.116 3.561 2.587) 4.540 8.653 ( 1.192 -1.891 0.617) 2.319 8.653 ( 1.192 1.891 0.617) 2.319 8.704 ( 1.171 -3.580 0.154) 3.770 8.704 ( 1.171 3.580 0.154) 3.770 9.575 ( 0.562 -0.208 -1.515) 1.629 9.575 ( 0.562 0.208 -1.515) 1.629 9.695 ( -1.249 -1.206 0.696) 1.871 9.695 ( -1.249 1.206 0.696) 1.871 10.969 ( 5.050 -1.883 -0.709) 5.436 10.969 ( 5.050 1.883 -0.709) 5.436 11.302 ( 0.918 -2.308 4.427) 5.076 11.302 ( 0.918 2.308 4.427) 5.076 ======================= Grid point 228 (83/112) ======================= q-point: ( 0.29 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 2.240 -5.592 1.035) 6.112 2.440 ( 2.240 5.592 1.035) 6.112 2.847 ( -1.344 -4.351 -4.347) 6.296 2.847 ( -1.344 4.351 -4.347) 6.296 2.936 ( -3.023 -8.010 2.383) 8.887 2.936 ( -3.023 8.010 2.383) 8.887 3.265 ( -5.110 -5.345 -1.232) 7.496 3.265 ( -5.110 5.345 -1.232) 7.496 3.820 ( 2.843 -4.289 -0.506) 5.170 3.820 ( 2.843 4.289 -0.506) 5.170 3.989 ( -1.866 -1.617 -2.347) 3.407 3.989 ( -1.866 1.617 -2.347) 3.407 4.089 ( 0.375 -1.852 -4.927) 5.276 4.089 ( 0.375 1.852 -4.927) 5.276 4.154 ( -1.599 -3.122 -2.363) 4.230 4.154 ( -1.599 3.122 -2.363) 4.230 4.399 ( 4.841 -2.659 2.795) 6.190 4.399 ( 4.841 2.659 2.795) 6.190 4.744 ( -4.723 -1.637 1.866) 5.335 4.744 ( -4.723 1.637 1.866) 5.335 4.973 ( 0.497 -1.975 3.542) 4.085 4.973 ( 0.497 1.975 3.542) 4.085 5.078 ( -1.266 -1.802 1.700) 2.782 5.078 ( -1.266 1.802 1.700) 2.782 8.683 ( 1.669 -1.876 0.653) 2.594 8.683 ( 1.669 1.876 0.653) 2.594 8.728 ( 0.893 -3.069 0.668) 3.266 8.728 ( 0.893 3.069 0.668) 3.266 9.590 ( 0.923 -0.519 -1.041) 1.485 9.590 ( 0.923 0.519 -1.041) 1.485 9.665 ( -1.549 -1.514 0.480) 2.218 9.665 ( -1.549 1.514 0.480) 2.218 11.096 ( 6.995 -1.223 -0.212) 7.105 11.096 ( 6.995 1.223 -0.212) 7.105 11.318 ( 0.347 -1.692 3.279) 3.706 11.318 ( 0.347 1.692 3.279) 3.706 ======================= Grid point 230 (84/112) ======================= q-point: ( 0.43 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 6.094 -3.436 4.379) 8.253 2.523 ( 6.094 3.436 4.379) 8.253 2.681 ( -9.386 -1.728 5.218) 10.877 2.681 ( -9.386 1.728 5.218) 10.877 3.026 ( 6.512 -7.712 -6.797) 12.169 3.026 ( 6.512 7.712 -6.797) 12.169 3.154 ( -6.032 -6.449 -4.765) 10.034 3.154 ( -6.032 6.449 -4.765) 10.034 3.878 ( 2.948 -4.798 -1.867) 5.932 3.878 ( 2.948 4.798 -1.867) 5.932 3.938 ( -2.960 -3.651 -2.615) 5.378 3.938 ( -2.960 3.651 -2.615) 5.378 4.101 ( 0.841 -2.358 -3.474) 4.282 4.101 ( 0.841 2.358 -3.474) 4.282 4.124 ( -1.407 -2.908 -2.772) 4.257 4.124 ( -1.407 2.908 -2.772) 4.257 4.511 ( 6.058 -2.126 2.426) 6.864 4.511 ( 6.058 2.126 2.426) 6.864 4.633 ( -5.963 -1.610 2.137) 6.536 4.633 ( -5.963 1.610 2.137) 6.536 4.999 ( 1.966 -2.540 3.694) 4.896 4.999 ( 1.966 2.540 3.694) 4.896 5.043 ( -2.180 -2.231 2.613) 4.069 5.043 ( -2.180 2.231 2.613) 4.069 8.715 ( 1.370 -2.071 0.793) 2.606 8.715 ( 1.370 2.071 0.793) 2.606 8.733 ( -0.369 -2.504 0.887) 2.682 8.733 ( -0.369 2.504 0.887) 2.682 9.611 ( 1.135 -1.336 -0.454) 1.811 9.611 ( 1.135 1.336 -0.454) 1.811 9.636 ( -1.329 -1.689 0.057) 2.150 9.636 ( -1.329 1.689 0.057) 2.150 11.225 ( 5.409 -0.783 0.693) 5.509 11.225 ( 5.409 0.783 0.693) 5.509 11.302 ( -2.170 -1.053 1.917) 3.081 11.302 ( -2.170 1.053 1.917) 3.081 ======================= Grid point 273 (85/112) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 0.000 24.264) 24.264 1.561 ( 0.000 0.000 24.405) 24.405 1.805 ( 0.000 0.000 -6.085) 6.085 1.980 ( 0.000 0.000 -20.452) 20.452 2.318 ( 0.000 0.000 13.477) 13.477 2.738 ( 0.000 0.000 -23.676) 23.676 3.022 ( 0.000 0.000 4.626) 4.626 3.098 ( 0.000 0.000 -3.328) 3.328 3.109 ( 0.000 0.000 19.724) 19.724 3.440 ( 0.000 0.000 -15.196) 15.196 3.980 ( 0.000 0.000 6.637) 6.637 4.047 ( 0.000 0.000 -0.166) 0.166 4.091 ( 0.000 0.000 4.060) 4.060 4.185 ( 0.000 0.000 -5.848) 5.848 4.213 ( 0.000 0.000 3.048) 3.048 4.273 ( 0.000 0.000 -2.156) 2.156 4.564 ( 0.000 0.000 -2.801) 2.801 4.573 ( 0.000 0.000 -4.209) 4.209 4.628 ( 0.000 0.000 3.118) 3.118 4.666 ( 0.000 0.000 -0.894) 0.894 4.958 ( 0.000 0.000 6.634) 6.634 5.094 ( 0.000 0.000 -7.404) 7.404 5.700 ( 0.000 0.000 5.483) 5.483 5.790 ( 0.000 0.000 -4.063) 4.063 8.412 ( 0.000 0.000 7.891) 7.891 8.605 ( 0.000 0.000 -12.726) 12.726 9.221 ( 0.000 0.000 4.548) 4.548 9.317 ( 0.000 0.000 -5.564) 5.564 9.612 ( 0.000 0.000 3.023) 3.023 9.669 ( 0.000 0.000 -2.943) 2.943 10.179 ( 0.000 0.000 2.349) 2.349 10.225 ( 0.000 0.000 -2.462) 2.462 10.360 ( 0.000 0.000 9.769) 9.769 10.522 ( 0.000 0.000 -7.661) 7.661 11.206 ( 0.000 0.000 3.653) 3.653 11.262 ( 0.000 0.000 -2.426) 2.426 ======================= Grid point 274 (86/112) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 2.686 0.000 22.224) 22.385 1.636 ( 7.195 0.000 22.799) 23.907 1.825 ( 1.442 0.000 -14.451) 14.523 2.028 ( 4.600 0.000 -19.066) 19.613 2.437 ( 11.860 0.000 21.031) 24.145 2.850 ( 6.833 0.000 -15.479) 16.920 2.964 ( -5.422 0.000 5.332) 7.604 3.058 ( -3.913 0.000 -4.411) 5.896 3.059 ( -2.375 0.000 11.412) 11.657 3.332 ( -10.391 0.000 -12.390) 16.171 3.917 ( -5.367 0.000 5.573) 7.737 4.011 ( -3.244 0.000 -3.480) 4.757 4.116 ( 2.267 0.000 3.367) 4.059 4.190 ( -1.420 0.000 3.926) 4.175 4.196 ( 1.010 0.000 -5.102) 5.201 4.244 ( -1.879 0.000 -1.650) 2.501 4.579 ( 3.535 0.000 2.737) 4.471 4.621 ( -0.649 0.000 2.973) 3.043 4.656 ( -0.936 0.000 -0.741) 1.193 4.679 ( 5.415 0.000 -7.407) 9.175 4.944 ( -1.153 0.000 4.896) 5.030 5.050 ( -3.932 0.000 -5.357) 6.645 5.657 ( -4.095 0.000 3.179) 5.184 5.718 ( -6.396 0.000 -2.947) 7.042 8.471 ( 5.192 0.000 5.725) 7.729 8.637 ( 2.797 0.000 -11.651) 11.982 9.249 ( 2.552 0.000 3.985) 4.732 9.333 ( 1.517 0.000 -4.954) 5.182 9.617 ( 0.448 0.000 2.760) 2.796 9.668 ( -0.081 0.000 -2.634) 2.635 10.181 ( 0.178 0.000 2.092) 2.100 10.222 ( -0.244 0.000 -2.262) 2.276 10.383 ( 2.173 0.000 9.754) 9.993 10.534 ( 0.905 0.000 -6.208) 6.274 11.225 ( 1.735 0.000 1.967) 2.623 11.256 ( -0.261 0.000 -1.233) 1.260 ======================= Grid point 275 (87/112) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 12.804 0.000 15.583) 20.169 1.829 ( 11.336 0.000 18.728) 21.892 1.899 ( 6.977 0.000 -14.619) 16.198 2.143 ( 5.844 0.000 -14.157) 15.315 2.689 ( 0.982 0.000 18.151) 18.178 2.779 ( -2.628 0.000 12.574) 12.846 2.827 ( -7.347 0.000 5.484) 9.168 2.947 ( -6.808 0.000 -6.601) 9.483 3.074 ( -10.275 0.000 -4.627) 11.269 3.225 ( 13.815 0.000 -16.828) 21.773 3.775 ( -9.019 0.000 6.666) 11.215 3.919 ( -6.196 0.000 -7.679) 9.867 4.171 ( 2.853 0.000 1.855) 3.403 4.197 ( 2.390 0.000 3.305) 4.079 4.220 ( 1.193 0.000 -3.399) 3.602 4.232 ( 1.078 0.000 -0.576) 1.223 4.605 ( -0.797 0.000 2.507) 2.631 4.631 ( -1.419 0.000 -0.257) 1.442 4.652 ( 2.544 0.000 4.072) 4.802 4.722 ( -1.544 0.000 -2.114) 2.618 4.921 ( -1.519 0.000 0.819) 1.726 4.975 ( -1.966 0.000 -2.787) 3.411 5.548 ( -6.208 0.000 -0.681) 6.245 5.580 ( -6.340 0.000 -3.444) 7.215 8.585 ( 5.469 0.000 2.132) 5.870 8.693 ( 2.273 0.000 -8.948) 9.232 9.311 ( 3.287 0.000 2.414) 4.078 9.368 ( 1.623 0.000 -3.555) 3.908 9.629 ( 0.720 0.000 2.000) 2.125 9.665 ( -0.263 0.000 -1.761) 1.781 10.187 ( 0.355 0.000 1.368) 1.414 10.216 ( -0.437 0.000 -1.676) 1.732 10.438 ( 3.017 0.000 9.268) 9.747 10.547 ( 0.132 0.000 -1.833) 1.838 11.259 ( 1.464 0.000 -0.396) 1.517 11.273 ( 1.895 0.000 -1.349) 2.326 ======================= Grid point 276 (88/112) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 16.231 0.000 10.088) 19.111 2.060 ( 10.710 0.000 12.229) 16.256 2.080 ( 6.545 0.000 -5.811) 8.753 2.202 ( -1.846 0.000 -1.223) 2.214 2.460 ( -8.737 0.000 8.493) 12.185 2.604 ( -16.136 0.000 -5.432) 17.026 2.728 ( -0.768 0.000 -1.009) 1.268 2.803 ( -6.771 0.000 -7.375) 10.012 3.213 ( 16.287 0.000 15.661) 22.594 3.475 ( 2.004 0.000 -2.776) 3.424 3.579 ( -2.584 0.000 -1.275) 2.881 3.760 ( -9.660 0.000 -11.243) 14.823 4.219 ( 1.739 0.000 0.196) 1.750 4.235 ( 0.103 0.000 -1.538) 1.542 4.260 ( 2.865 0.000 1.848) 3.409 4.273 ( 1.779 0.000 0.282) 1.801 4.595 ( -0.073 0.000 1.658) 1.660 4.605 ( -1.031 0.000 0.595) 1.191 4.655 ( -1.490 0.000 2.464) 2.879 4.663 ( -2.660 0.000 1.373) 2.994 4.914 ( 1.643 0.000 2.648) 3.116 4.955 ( -1.500 0.000 -0.627) 1.626 5.457 ( -1.912 0.000 -4.300) 4.706 5.477 ( -3.562 0.000 -5.800) 6.807 8.675 ( 3.313 0.000 -1.437) 3.611 8.713 ( -0.445 0.000 -5.291) 5.310 9.367 ( 2.046 0.000 0.283) 2.066 9.387 ( 0.091 0.000 -1.797) 1.799 9.644 ( 0.729 0.000 0.844) 1.115 9.657 ( -0.526 0.000 -0.506) 0.730 10.195 ( 0.491 0.000 0.334) 0.594 10.206 ( -0.527 0.000 -0.761) 0.926 10.495 ( 2.525 0.000 7.415) 7.833 10.535 ( -1.315 0.000 3.546) 3.782 11.291 ( 1.374 0.000 -1.875) 2.324 11.301 ( 0.540 0.000 -2.669) 2.723 ======================= Grid point 280 (89/112) ======================= q-point: ( 0.00 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.000 -4.032 21.590) 21.963 1.498 ( 0.000 4.736 18.979) 19.561 1.988 ( 0.000 12.601 -10.957) 16.698 2.015 ( 0.000 3.445 -17.841) 18.170 2.424 ( 0.000 11.216 18.322) 21.482 2.823 ( 0.000 8.466 -20.401) 22.088 3.074 ( 0.000 2.692 11.820) 12.122 3.126 ( 0.000 3.983 12.187) 12.821 3.175 ( 0.000 7.400 -3.872) 8.352 3.431 ( 0.000 -0.866 -14.944) 14.969 3.968 ( 0.000 -1.403 6.189) 6.346 4.031 ( 0.000 -2.377 -0.383) 2.408 4.084 ( 0.000 -0.387 4.328) 4.346 4.166 ( 0.000 -2.472 -2.590) 3.581 4.175 ( 0.000 -3.072 0.831) 3.183 4.203 ( 0.000 -5.201 -3.390) 6.208 4.578 ( 0.000 1.007 -1.779) 2.045 4.593 ( 0.000 1.018 -3.086) 3.250 4.627 ( 0.000 0.052 1.867) 1.868 4.646 ( 0.000 -1.141 -0.445) 1.225 4.957 ( 0.000 -0.056 7.087) 7.087 5.106 ( 0.000 0.871 -8.389) 8.434 5.652 ( 0.000 -4.689 5.905) 7.541 5.750 ( 0.000 -3.904 -4.467) 5.933 8.426 ( 0.000 1.461 7.315) 7.459 8.602 ( 0.000 -0.202 -11.371) 11.373 9.170 ( 0.000 -4.390 3.979) 5.925 9.251 ( 0.000 -5.389 -4.489) 7.014 9.674 ( 0.000 4.653 3.345) 5.731 9.742 ( 0.000 4.672 -3.836) 6.045 10.116 ( 0.000 -5.669 3.147) 6.484 10.142 ( 0.000 -3.249 0.050) 3.250 10.509 ( 0.000 9.976 1.815) 10.140 10.566 ( 0.000 3.998 -3.923) 5.601 11.168 ( 0.000 -3.397 3.374) 4.788 11.214 ( 0.000 -4.296 -1.508) 4.553 ======================= Grid point 281 (90/112) ======================= q-point: ( 0.14 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.362 1.325 20.223) 20.543 1.613 ( 8.463 0.934 14.628) 16.926 1.945 ( -0.768 8.359 -11.152) 13.958 2.092 ( 4.854 6.222 -17.374) 19.082 2.541 ( 10.906 10.542 21.321) 26.165 2.915 ( 5.126 6.653 -12.780) 15.293 3.002 ( -6.428 1.613 11.747) 13.488 3.070 ( -3.817 4.912 3.224) 7.006 3.161 ( -0.772 8.034 -3.467) 8.784 3.333 ( -9.488 0.146 -11.990) 15.291 3.904 ( -5.558 -1.471 5.090) 7.678 3.987 ( -3.748 -2.660 -3.018) 5.498 4.100 ( 1.629 -1.807 3.612) 4.355 4.151 ( -0.630 -2.661 0.061) 2.735 4.181 ( 0.873 -2.726 0.023) 2.862 4.215 ( 0.744 -1.527 -3.644) 4.021 4.579 ( 1.169 -0.274 2.460) 2.738 4.621 ( -0.198 -2.719 -0.321) 2.745 4.634 ( 1.227 1.346 2.042) 2.736 4.695 ( 4.080 1.174 -5.540) 6.980 4.943 ( -1.180 -0.099 5.180) 5.314 5.060 ( -4.134 0.691 -6.268) 7.540 5.612 ( -3.868 -4.435 3.826) 7.019 5.685 ( -5.879 -3.314 -3.497) 7.601 8.474 ( 4.239 0.436 5.648) 7.075 8.627 ( 2.202 -0.795 -10.417) 10.676 9.193 ( 2.133 -4.673 3.415) 6.168 9.264 ( 1.174 -5.630 -3.952) 6.979 9.675 ( 0.128 4.108 2.890) 5.024 9.733 ( -0.804 3.863 -3.214) 5.089 10.138 ( 2.002 -4.482 3.177) 5.847 10.164 ( 1.935 -1.432 -0.124) 2.410 10.516 ( 0.676 9.500 2.577) 9.866 10.576 ( 0.852 4.026 -3.295) 5.271 11.186 ( 1.666 -3.441 1.838) 4.242 11.211 ( 0.076 -3.953 -0.636) 4.004 ======================= Grid point 282 (91/112) ======================= q-point: ( 0.29 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 12.679 2.442 14.796) 19.638 1.821 ( 12.115 1.170 5.856) 13.507 1.995 ( 5.993 7.387 -3.373) 10.092 2.200 ( 5.247 5.286 -13.225) 15.178 2.736 ( -3.119 4.107 16.190) 16.992 2.823 ( -2.598 5.068 10.911) 12.308 2.874 ( -7.020 4.558 5.368) 9.944 2.996 ( -8.023 3.743 -9.670) 13.111 3.109 ( -5.473 4.375 -0.329) 7.014 3.289 ( 11.769 6.260 -14.696) 19.841 3.763 ( -8.427 -1.167 6.157) 10.502 3.894 ( -5.646 -2.445 -6.763) 9.143 4.144 ( 2.733 -2.495 2.468) 4.448 4.175 ( 2.799 -1.577 -0.387) 3.236 4.205 ( 1.578 -1.614 0.839) 2.408 4.236 ( 1.315 0.005 -2.760) 3.057 4.584 ( -0.388 -1.425 2.672) 3.053 4.608 ( -0.791 -2.087 0.459) 2.279 4.680 ( 1.955 2.135 2.503) 3.827 4.723 ( -1.841 0.080 -1.237) 2.219 4.917 ( -1.724 -0.356 1.350) 2.219 4.983 ( -1.943 0.647 -3.738) 4.263 5.508 ( -5.819 -3.868 0.298) 6.994 5.553 ( -6.361 -2.728 -3.682) 7.840 8.569 ( 4.713 -1.234 2.479) 5.466 8.671 ( 1.720 -1.931 -7.914) 8.325 9.245 ( 2.741 -5.311 1.948) 6.286 9.291 ( 1.305 -6.091 -2.770) 6.817 9.679 ( 0.326 3.104 1.847) 3.627 9.715 ( -0.881 2.665 -1.892) 3.385 10.184 ( 2.332 -1.377 2.594) 3.750 10.205 ( 1.838 1.282 -0.156) 2.246 10.535 ( 1.237 8.178 4.198) 9.275 10.590 ( 0.316 4.373 -0.679) 4.437 11.218 ( 1.537 -3.638 -0.058) 3.949 11.234 ( 1.957 -3.405 -1.362) 4.156 ======================= Grid point 283 (92/112) ======================= q-point: ( 0.43 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 15.906 1.822 10.417) 19.100 2.077 ( 10.738 2.159 0.432) 10.962 2.146 ( 6.113 5.595 3.229) 8.894 2.223 ( -4.776 2.176 1.245) 5.394 2.541 ( -6.427 7.651 6.177) 11.747 2.650 ( -14.529 4.517 -4.414) 15.842 2.749 ( -0.908 1.991 -0.982) 2.398 2.831 ( -7.072 2.655 -7.729) 10.807 3.270 ( 14.242 5.610 14.232) 20.901 3.504 ( 0.504 2.887 -0.709) 3.015 3.592 ( -0.881 1.456 -2.555) 3.070 3.755 ( -8.324 -0.342 -10.149) 13.130 4.201 ( 2.412 -1.979 1.536) 3.477 4.221 ( 0.599 -0.924 -0.229) 1.124 4.245 ( 2.236 -2.209 -0.221) 3.151 4.260 ( 0.702 -0.738 -1.445) 1.767 4.583 ( 0.583 -0.870 2.462) 2.676 4.598 ( -0.265 -0.603 1.110) 1.290 4.659 ( -2.615 -0.161 1.833) 3.198 4.670 ( -2.467 0.952 0.475) 2.686 4.913 ( 2.019 -0.032 2.848) 3.491 4.960 ( -1.722 0.493 -1.145) 2.126 5.423 ( -1.692 -3.336 -3.437) 5.080 5.448 ( -3.753 -2.918 -5.362) 7.166 8.648 ( 2.963 -2.292 -0.940) 3.862 8.684 ( -0.538 -2.548 -4.534) 5.229 9.292 ( 1.650 -5.969 0.191) 6.196 9.307 ( 0.111 -6.287 -1.391) 6.440 9.688 ( 0.502 2.419 0.660) 2.557 9.699 ( -0.645 2.213 -0.554) 2.371 10.221 ( 1.190 1.493 1.337) 2.331 10.229 ( 0.431 2.428 0.280) 2.482 10.562 ( 1.376 6.528 4.848) 8.247 10.585 ( -0.775 5.209 2.966) 6.044 11.251 ( 1.437 -3.514 -1.692) 4.156 11.262 ( 0.502 -3.443 -2.587) 4.335 ======================= Grid point 287 (93/112) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 4.460 17.795) 18.345 1.629 ( 0.000 8.294 6.881) 10.777 2.115 ( 0.000 6.803 -10.067) 12.150 2.217 ( 0.000 10.814 -15.368) 18.791 2.747 ( 0.000 19.791 17.902) 26.686 3.049 ( 0.000 13.343 -14.088) 19.404 3.086 ( 0.000 0.393 19.000) 19.004 3.292 ( 0.000 10.824 4.325) 11.656 3.366 ( 0.000 11.357 -4.851) 12.350 3.412 ( 0.000 -0.684 -13.809) 13.826 3.907 ( 0.000 -5.176 3.706) 6.366 3.938 ( 0.000 -6.463 0.006) 6.463 4.070 ( 0.000 -4.280 3.236) 5.366 4.084 ( 0.000 0.064 2.777) 2.777 4.126 ( 0.000 -1.430 -2.005) 2.462 4.158 ( 0.000 -0.794 -4.810) 4.875 4.545 ( 0.000 -4.876 1.589) 5.129 4.558 ( 0.000 -3.176 -0.384) 3.199 4.663 ( 0.000 3.567 -0.294) 3.579 4.682 ( 0.000 3.640 -2.613) 4.481 4.954 ( 0.000 -0.348 7.522) 7.530 5.112 ( 0.000 -0.497 -8.970) 8.984 5.530 ( 0.000 -7.181 6.826) 9.908 5.645 ( 0.000 -6.460 -5.161) 8.268 8.467 ( 0.000 2.638 5.912) 6.474 8.601 ( 0.000 0.224 -8.268) 8.271 9.069 ( 0.000 -5.706 3.027) 6.459 9.130 ( 0.000 -6.714 -3.345) 7.502 9.726 ( 0.000 -0.457 1.905) 1.959 9.757 ( 0.000 -3.271 -0.912) 3.396 10.066 ( 0.000 -0.312 0.401) 0.508 10.080 ( 0.000 -2.702 -0.637) 2.776 10.658 ( 0.000 4.844 1.152) 4.979 10.694 ( 0.000 8.181 -2.734) 8.625 11.106 ( 0.000 -1.825 3.096) 3.594 11.137 ( 0.000 -2.198 -0.256) 2.213 ======================= Grid point 288 (94/112) ======================= q-point: ( 0.14 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 6.196 5.989 15.998) 18.171 1.699 ( 6.837 7.174 4.686) 10.962 2.106 ( 0.169 8.372 -6.309) 10.484 2.250 ( 3.093 9.225 -15.422) 18.235 2.823 ( 5.901 15.883 16.671) 23.770 3.026 ( -4.682 2.550 16.149) 17.007 3.101 ( 2.312 11.127 -9.568) 14.857 3.218 ( -6.618 7.840 -0.289) 10.264 3.342 ( -5.073 5.660 -5.204) 9.211 3.371 ( -0.394 8.984 -8.676) 12.496 3.850 ( -5.076 -4.103 3.410) 7.364 3.903 ( -3.238 -5.369 -1.988) 6.578 4.051 ( 0.420 -2.760 2.842) 3.984 4.089 ( 0.616 -2.584 0.060) 2.657 4.146 ( 1.655 -0.815 0.221) 1.858 4.191 ( 1.956 -1.011 -4.192) 4.736 4.546 ( 0.168 -4.483 1.621) 4.770 4.553 ( -0.113 -2.867 0.627) 2.937 4.683 ( 2.212 3.321 1.492) 4.260 4.730 ( 2.532 2.487 -3.476) 4.968 4.939 ( -1.215 -0.322 5.416) 5.560 5.066 ( -4.109 -0.254 -7.091) 8.200 5.496 ( -3.324 -6.862 5.165) 9.210 5.592 ( -4.927 -5.933 -4.389) 8.874 8.494 ( 2.446 1.676 4.993) 5.807 8.614 ( 1.086 -0.358 -7.600) 7.686 9.089 ( 1.848 -5.730 2.507) 6.522 9.141 ( 0.980 -6.669 -2.853) 7.320 9.712 ( -1.014 -1.058 1.677) 2.227 9.742 ( -1.310 -2.818 -1.340) 3.384 10.089 ( 3.017 -1.297 3.215) 4.596 10.140 ( 4.206 -1.513 -2.080) 4.930 10.674 ( 1.439 5.540 0.887) 5.793 10.700 ( 0.570 8.407 -2.014) 8.663 11.123 ( 1.492 -1.902 1.940) 3.100 11.141 ( 0.668 -1.912 0.093) 2.028 ======================= Grid point 289 (95/112) ======================= q-point: ( 0.29 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 12.533 6.915 12.238) 18.832 1.892 ( 12.063 5.995 -0.252) 13.473 2.155 ( 4.996 8.658 0.698) 10.020 2.327 ( 3.442 7.261 -11.198) 13.783 2.807 ( -7.288 2.698 11.722) 14.064 2.971 ( -7.807 8.484 6.040) 13.016 3.024 ( -5.553 10.342 3.946) 12.384 3.051 ( -10.223 2.382 -11.119) 15.291 3.267 ( 2.380 10.867 5.749) 12.522 3.456 ( 7.811 10.016 -10.498) 16.478 3.735 ( -5.873 -1.342 4.593) 7.576 3.834 ( -3.452 -3.076 -4.955) 6.777 4.088 ( 2.878 -2.931 2.740) 4.938 4.132 ( 3.201 -2.527 -1.490) 4.342 4.178 ( 1.486 -1.126 0.831) 2.041 4.224 ( 1.261 -1.103 -3.712) 4.072 4.552 ( 0.334 -2.464 1.470) 2.889 4.556 ( 0.580 -2.817 1.265) 3.142 4.724 ( -0.417 1.581 1.590) 2.281 4.731 ( -1.405 1.546 -0.166) 2.096 4.909 ( -1.852 -0.266 2.434) 3.070 4.995 ( -1.636 0.482 -4.925) 5.212 5.407 ( -5.020 -6.033 2.227) 8.159 5.474 ( -6.110 -5.209 -3.926) 8.938 8.552 ( 3.014 -0.201 2.734) 4.074 8.634 ( 0.639 -1.495 -5.697) 5.924 9.134 ( 2.301 -5.824 1.309) 6.398 9.164 ( 1.176 -6.513 -1.813) 6.862 9.696 ( -0.450 -1.585 1.024) 1.940 9.716 ( -1.121 -2.414 -1.045) 2.860 10.166 ( 3.960 -1.411 4.206) 5.946 10.217 ( 2.985 -1.381 -1.254) 3.520 10.706 ( 1.507 7.821 0.974) 8.024 10.717 ( 1.074 8.728 -0.313) 8.799 11.153 ( 1.616 -1.853 0.570) 2.524 11.171 ( 1.896 -1.982 -1.036) 2.932 ======================= Grid point 290 (96/112) ======================= q-point: ( 0.43 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 14.977 5.778 9.823) 18.820 2.153 ( 11.515 5.718 -2.574) 13.112 2.271 ( 3.213 6.154 2.535) 7.391 2.291 ( -7.493 5.463 3.486) 9.906 2.718 ( -1.961 7.731 0.688) 8.006 2.756 ( -9.525 6.324 1.474) 11.528 2.805 ( -4.846 3.547 -3.246) 6.827 2.907 ( -8.399 5.302 -8.187) 12.872 3.421 ( 9.642 9.289 11.038) 17.352 3.580 ( -2.853 4.467 4.262) 6.802 3.647 ( 3.110 4.450 -5.922) 8.034 3.755 ( -4.726 0.667 -7.423) 8.825 4.150 ( 2.861 -2.925 2.508) 4.799 4.182 ( 0.349 -3.265 1.062) 3.451 4.208 ( 2.027 -1.147 -2.320) 3.287 4.236 ( -0.297 -1.535 -3.208) 3.568 4.567 ( 1.523 -0.818 2.184) 2.785 4.582 ( 1.635 -0.987 1.127) 2.218 4.654 ( -3.003 -0.284 2.037) 3.640 4.686 ( -4.132 0.548 -1.027) 4.293 4.915 ( 2.574 0.337 3.297) 4.196 4.970 ( -2.014 0.488 -1.598) 2.617 5.335 ( -1.162 -5.261 -1.614) 5.624 5.368 ( -3.998 -4.972 -4.325) 7.708 8.605 ( 2.113 -1.641 -0.111) 2.678 8.634 ( -0.707 -2.092 -3.038) 3.756 9.171 ( 1.234 -6.027 0.143) 6.154 9.181 ( 0.263 -6.273 -0.814) 6.331 9.694 ( 0.131 -1.866 0.333) 1.900 9.700 ( -0.504 -2.112 -0.343) 2.198 10.230 ( 2.239 -1.560 2.990) 4.048 10.250 ( 0.318 -1.543 0.821) 1.776 10.729 ( 0.771 9.620 1.670) 9.794 10.734 ( 0.377 9.411 1.349) 9.514 11.186 ( 1.404 -2.059 -1.102) 2.725 11.198 ( 0.444 -2.152 -2.047) 3.003 ======================= Grid point 294 (97/112) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 11.640 10.916) 15.958 1.814 ( 0.000 10.315 -3.791) 10.990 2.284 ( 0.000 10.178 -0.853) 10.214 2.428 ( 0.000 10.591 -12.614) 16.470 3.033 ( 0.000 3.491 12.597) 13.071 3.212 ( 0.000 16.839 15.901) 23.161 3.257 ( 0.000 4.243 -11.322) 12.091 3.458 ( 0.000 7.940 -9.481) 12.367 3.513 ( 0.000 10.630 3.498) 11.191 3.586 ( 0.000 9.095 -4.271) 10.048 3.787 ( 0.000 -5.616 1.989) 5.958 3.814 ( 0.000 -4.631 -1.041) 4.747 4.020 ( 0.000 -1.321 3.509) 3.749 4.071 ( 0.000 -1.115 -1.401) 1.790 4.127 ( 0.000 1.386 0.109) 1.390 4.155 ( 0.000 0.418 -2.514) 2.548 4.429 ( 0.000 -6.530 2.820) 7.113 4.470 ( 0.000 -5.404 -1.869) 5.718 4.744 ( 0.000 4.238 -0.146) 4.240 4.757 ( 0.000 3.680 -1.655) 4.035 4.940 ( 0.000 -1.142 6.977) 7.070 5.083 ( 0.000 -2.415 -7.775) 8.142 5.386 ( 0.000 -7.086 7.315) 10.184 5.506 ( 0.000 -7.390 -5.336) 9.115 8.525 ( 0.000 2.998 4.161) 5.128 8.609 ( 0.000 0.478 -4.683) 4.708 8.948 ( 0.000 -6.486 1.960) 6.776 8.991 ( 0.000 -7.255 -2.513) 7.678 9.669 ( 0.000 -4.199 -0.101) 4.200 9.670 ( 0.000 -4.504 -0.014) 4.504 10.012 ( 0.000 -5.012 0.885) 5.089 10.029 ( 0.000 -4.288 -1.017) 4.407 10.746 ( 0.000 4.092 3.220) 5.207 10.816 ( 0.000 4.275 -4.247) 6.026 11.122 ( 0.000 3.444 3.644) 5.014 11.158 ( 0.000 4.067 -0.281) 4.076 ======================= Grid point 295 (98/112) ======================= q-point: ( 0.14 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 6.850 11.423 10.112) 16.723 1.875 ( 6.013 10.247 -3.883) 12.500 2.289 ( 0.835 10.204 0.832) 10.272 2.443 ( 1.572 10.069 -12.354) 16.015 2.983 ( -5.086 1.853 12.757) 13.858 3.197 ( -2.697 6.138 -3.784) 7.699 3.277 ( 0.481 10.517 3.137) 10.986 3.373 ( -7.463 9.014 0.163) 11.704 3.490 ( -2.456 9.424 1.075) 9.797 3.587 ( 1.438 9.687 -6.213) 11.598 3.765 ( -1.795 -3.008 2.391) 4.241 3.815 ( -0.371 -2.198 -2.584) 3.413 4.010 ( -0.036 -1.164 2.242) 2.526 4.054 ( -0.133 -1.272 -1.048) 1.653 4.139 ( 0.854 0.254 0.646) 1.101 4.177 ( 1.449 -0.371 -3.194) 3.527 4.442 ( 1.239 -5.827 2.500) 6.461 4.475 ( 0.629 -4.907 -1.385) 5.137 4.754 ( 1.315 3.530 1.618) 4.100 4.786 ( 0.811 2.880 -1.677) 3.430 4.930 ( -0.607 -0.531 5.047) 5.111 5.049 ( -2.954 -1.380 -6.508) 7.279 5.357 ( -2.761 -6.893 5.898) 9.483 5.460 ( -4.337 -7.222 -4.550) 9.575 8.537 ( 1.152 2.520 3.673) 4.601 8.614 ( 0.347 0.242 -4.309) 4.329 8.969 ( 1.940 -6.398 1.670) 6.891 9.005 ( 1.343 -6.948 -2.108) 7.384 9.654 ( -0.915 -3.740 0.316) 3.863 9.664 ( -0.764 -4.319 -0.674) 4.437 10.032 ( 2.235 -5.225 2.313) 6.136 10.069 ( 2.987 -6.018 -1.529) 6.890 10.779 ( 3.145 5.038 2.510) 6.448 10.835 ( 1.820 5.283 -3.403) 6.543 11.137 ( 1.335 3.236 2.790) 4.476 11.164 ( 0.610 3.974 -0.152) 4.023 ======================= Grid point 296 (99/112) ======================= q-point: ( 0.29 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 11.597 10.378 8.855) 17.906 2.051 ( 11.258 9.765 -4.675) 15.620 2.334 ( 3.787 9.396 4.274) 10.995 2.485 ( 1.588 8.718 -8.770) 12.467 2.850 ( -6.786 1.831 8.829) 11.285 3.059 ( -10.268 0.792 -10.945) 15.028 3.145 ( -12.500 6.016 5.009) 14.749 3.220 ( -8.653 7.319 -1.659) 11.454 3.508 ( 4.761 12.772 7.704) 15.657 3.649 ( 3.508 8.356 -4.816) 10.262 3.736 ( -0.566 2.491 1.498) 2.961 3.803 ( -0.509 0.718 -3.942) 4.039 4.037 ( 2.510 -2.021 2.275) 3.945 4.082 ( 2.195 -2.430 -1.637) 3.661 4.160 ( 1.262 -0.649 0.806) 1.632 4.201 ( 0.894 -1.076 -3.517) 3.785 4.481 ( 2.725 -3.958 1.669) 5.087 4.498 ( 1.741 -3.590 -0.455) 4.016 4.744 ( -3.826 0.942 2.652) 4.750 4.774 ( -1.450 1.806 -0.947) 2.502 4.914 ( -0.919 0.958 3.457) 3.703 5.004 ( -0.838 0.494 -4.747) 4.845 5.284 ( -3.994 -6.032 3.272) 7.940 5.355 ( -5.411 -6.559 -3.434) 9.170 8.565 ( 1.497 1.426 2.276) 3.075 8.618 ( -0.023 -0.141 -3.181) 3.184 9.015 ( 2.364 -6.214 1.059) 6.732 9.038 ( 1.636 -6.324 -1.259) 6.653 9.639 ( -0.500 -3.436 0.195) 3.477 9.647 ( -0.720 -3.855 -0.661) 3.977 10.087 ( 2.845 -6.825 2.987) 7.975 10.124 ( 2.132 -7.791 -0.759) 8.113 10.857 ( 4.057 7.276 1.310) 8.433 10.882 ( 2.656 7.556 -1.438) 8.137 11.167 ( 1.433 2.978 1.139) 3.495 11.182 ( 1.143 3.098 -0.415) 3.329 ======================= Grid point 297 (100/112) ======================= q-point: ( 0.43 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 13.236 8.427 8.783) 17.982 2.301 ( 12.185 9.066 -5.030) 15.999 2.381 ( -5.297 6.202 6.828) 10.637 2.448 ( -2.279 9.341 -0.256) 9.618 2.784 ( -0.858 1.590 -0.555) 1.890 2.854 ( -8.283 1.278 -3.747) 9.180 2.922 ( -4.274 7.660 0.781) 8.807 3.026 ( -9.453 5.661 -7.429) 13.289 3.611 ( 4.454 9.066 6.863) 12.212 3.671 ( -1.353 4.611 3.641) 6.029 3.761 ( 2.213 6.428 -4.354) 8.073 3.792 ( -0.850 3.311 -4.500) 5.651 4.091 ( 2.312 -2.942 1.484) 4.025 4.113 ( 0.360 -3.511 -0.341) 3.545 4.189 ( 1.501 -0.754 -0.624) 1.792 4.209 ( -0.255 -1.079 -2.460) 2.698 4.543 ( 3.275 -1.643 1.362) 3.909 4.559 ( 4.035 -1.430 -0.194) 4.285 4.650 ( -4.250 -0.136 2.841) 5.114 4.691 ( -5.674 0.009 -1.529) 5.876 4.931 ( 2.290 1.281 3.433) 4.321 4.981 ( -2.099 0.691 -1.152) 2.492 5.230 ( -0.616 -4.986 -0.254) 5.030 5.263 ( -3.468 -5.369 -2.977) 7.051 8.593 ( 1.187 0.395 0.386) 1.309 8.611 ( -0.633 -0.155 -1.524) 1.658 9.053 ( 1.227 -6.013 0.383) 6.149 9.061 ( 0.480 -5.971 -0.407) 6.004 9.634 ( -0.025 -3.487 -0.055) 3.487 9.637 ( -0.292 -3.612 -0.355) 3.641 10.133 ( 1.594 -8.112 2.248) 8.567 10.148 ( 0.227 -8.488 0.789) 8.528 10.920 ( 1.860 9.351 0.923) 9.579 10.926 ( 1.244 9.412 0.294) 9.498 11.191 ( 0.938 2.353 -0.316) 2.553 11.199 ( 0.283 2.169 -1.013) 2.410 ======================= Grid point 301 (101/112) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 14.484 4.391) 15.135 2.028 ( 0.000 11.106 -7.402) 13.347 2.494 ( 0.000 10.248 3.518) 10.835 2.616 ( 0.000 7.533 -8.256) 11.176 3.070 ( 0.000 2.443 10.567) 10.846 3.254 ( 0.000 -2.077 -8.932) 9.170 3.506 ( 0.000 7.009 6.434) 9.514 3.600 ( 0.000 -3.219 -3.319) 4.624 3.620 ( 0.000 2.616 1.663) 3.100 3.677 ( 0.000 9.076 -4.121) 9.968 3.800 ( 0.000 7.381 3.031) 7.979 3.829 ( 0.000 3.242 -0.199) 3.248 4.008 ( 0.000 0.017 2.789) 2.789 4.053 ( 0.000 -0.765 -1.692) 1.857 4.175 ( 0.000 1.712 -0.510) 1.786 4.186 ( 0.000 4.825 -1.874) 5.176 4.304 ( 0.000 -5.520 3.174) 6.367 4.358 ( 0.000 -5.458 -2.831) 6.148 4.820 ( 0.000 2.575 -0.634) 2.652 4.821 ( 0.000 3.324 -0.683) 3.394 4.910 ( 0.000 -1.616 6.054) 6.266 5.025 ( 0.000 -3.105 -5.727) 6.515 5.263 ( 0.000 -5.133 6.446) 8.240 5.362 ( 0.000 -7.027 -4.143) 8.157 8.580 ( 0.000 2.562 2.316) 3.454 8.618 ( 0.000 0.440 -1.574) 1.634 8.823 ( 0.000 -5.925 1.260) 6.057 8.855 ( 0.000 -6.236 -2.172) 6.604 9.594 ( 0.000 -3.017 -0.383) 3.041 9.597 ( 0.000 -2.805 -0.679) 2.886 9.885 ( 0.000 -7.106 1.390) 7.241 9.908 ( 0.000 -7.124 -0.945) 7.186 10.821 ( 0.000 3.429 2.753) 4.398 10.878 ( 0.000 2.244 -3.311) 3.999 11.216 ( 0.000 5.339 4.137) 6.754 11.259 ( 0.000 5.194 -0.556) 5.224 ======================= Grid point 302 (102/112) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 5.626 13.548 4.930) 15.476 2.090 ( 6.021 11.188 -7.527) 14.768 2.493 ( 0.232 9.807 4.868) 10.951 2.627 ( 1.130 7.704 -8.647) 11.636 3.016 ( -5.116 2.400 10.003) 11.489 3.202 ( -5.012 -1.553 -9.357) 10.728 3.449 ( -10.055 0.678 2.153) 10.306 3.463 ( -6.192 0.312 1.443) 6.365 3.657 ( 2.141 7.483 2.637) 8.218 3.727 ( 3.772 6.823 -3.655) 8.611 3.812 ( 0.566 6.854 1.685) 7.080 3.844 ( 1.012 2.768 -1.326) 3.232 4.003 ( -0.187 0.370 1.633) 1.685 4.035 ( -0.817 -0.850 -0.755) 1.400 4.169 ( -1.085 2.727 -0.429) 2.966 4.179 ( 0.076 0.600 -1.398) 1.523 4.336 ( 2.998 -3.860 1.812) 5.212 4.373 ( 1.558 -4.935 -2.107) 5.588 4.812 ( -0.313 2.206 1.504) 2.689 4.831 ( -0.978 1.404 -0.441) 1.767 4.924 ( 1.581 0.167 3.981) 4.287 5.017 ( -0.633 -1.618 -4.888) 5.187 5.237 ( -2.419 -5.077 5.202) 7.661 5.318 ( -3.997 -6.837 -3.384) 8.612 8.588 ( 0.668 2.494 2.077) 3.314 8.622 ( 0.297 0.572 -1.451) 1.587 8.845 ( 2.051 -5.901 1.284) 6.378 8.875 ( 1.809 -6.069 -1.892) 6.610 9.590 ( -0.340 -2.592 -0.434) 2.649 9.592 ( -0.430 -2.665 -0.597) 2.765 9.895 ( 0.916 -7.827 1.715) 8.065 9.921 ( 1.046 -8.189 -0.967) 8.312 10.869 ( 4.516 3.953 2.274) 6.418 10.916 ( 3.610 3.073 -2.729) 5.470 11.227 ( 0.924 5.130 3.518) 6.288 11.262 ( 0.325 5.117 -0.471) 5.149 ======================= Grid point 303 (103/112) ======================= q-point: ( 0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 9.559 11.415 6.299) 16.167 2.259 ( 10.426 10.734 -8.020) 16.978 2.517 ( 2.255 8.719 7.667) 11.827 2.657 ( 1.279 8.013 -6.988) 10.709 2.886 ( -6.875 2.005 6.749) 9.840 3.058 ( -9.147 -0.426 -9.680) 13.325 3.214 ( -12.244 0.855 4.893) 13.213 3.291 ( -9.816 0.552 -3.565) 10.458 3.711 ( 2.207 6.603 3.800) 7.931 3.772 ( -0.016 5.286 -1.879) 5.610 3.836 ( 2.280 6.228 -0.495) 6.651 3.863 ( 1.182 3.646 -2.922) 4.820 4.013 ( 1.219 -0.519 1.479) 1.986 4.040 ( 0.893 -1.640 -0.520) 1.938 4.157 ( 0.243 0.322 0.867) 0.956 4.182 ( 0.255 -1.030 -2.001) 2.265 4.415 ( 4.542 -2.350 0.416) 5.131 4.426 ( 4.054 -2.696 -0.640) 4.910 4.759 ( -4.756 0.495 2.933) 5.610 4.794 ( -3.376 0.257 -1.106) 3.562 4.947 ( 0.564 2.187 3.418) 4.097 5.014 ( 0.231 0.569 -3.074) 3.135 5.180 ( -2.797 -4.364 2.851) 5.916 5.230 ( -4.040 -5.749 -2.095) 7.332 8.603 ( 0.809 2.302 1.413) 2.820 8.627 ( 0.132 0.986 -1.023) 1.426 8.894 ( 2.511 -5.882 1.166) 6.501 8.916 ( 1.968 -5.905 -1.176) 6.334 9.581 ( -0.399 -2.145 -0.355) 2.210 9.583 ( -0.359 -2.282 -0.564) 2.378 9.918 ( 1.282 -9.398 1.810) 9.657 9.941 ( 0.815 -9.818 -0.542) 9.867 10.982 ( 6.096 5.267 1.405) 8.178 11.008 ( 5.000 5.024 -1.308) 7.208 11.246 ( 0.794 4.472 2.026) 4.974 11.267 ( 0.022 4.643 -0.373) 4.658 ======================= Grid point 304 (104/112) ======================= q-point: ( 0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 295 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 10.997 9.048 7.964) 16.317 2.477 ( 7.176 7.545 -5.651) 11.847 2.539 ( -1.039 10.262 7.861) 12.968 2.639 ( -1.398 9.258 -1.113) 9.429 2.804 ( -1.901 0.491 -0.360) 1.997 2.861 ( -8.584 -0.187 -4.831) 9.852 3.030 ( -3.134 3.102 0.115) 4.411 3.105 ( -7.976 2.184 -6.495) 10.515 3.739 ( 0.906 4.004 2.017) 4.574 3.756 ( -0.947 3.932 0.344) 4.059 3.876 ( 1.268 4.945 -2.027) 5.493 3.883 ( 0.504 4.625 -2.768) 5.414 4.040 ( 1.148 -2.147 0.713) 2.537 4.052 ( 0.022 -2.460 -0.199) 2.468 4.175 ( 1.079 -1.041 0.281) 1.525 4.186 ( -0.002 -1.561 -1.126) 1.925 4.511 ( 5.295 -1.174 1.358) 5.591 4.535 ( 5.743 -0.507 -1.172) 5.883 4.649 ( -5.369 0.066 3.154) 6.228 4.688 ( -6.391 -0.260 -1.153) 6.500 4.965 ( 1.386 2.158 3.184) 4.089 5.000 ( -1.724 1.238 -0.072) 2.123 5.148 ( -0.077 -3.252 0.291) 3.266 5.169 ( -2.024 -3.851 -1.556) 4.621 8.618 ( 0.586 1.997 0.542) 2.151 8.626 ( -0.224 1.537 -0.317) 1.585 8.934 ( 1.328 -5.934 0.636) 6.114 8.943 ( 0.511 -5.938 -0.247) 5.965 9.577 ( -0.074 -2.026 -0.348) 2.057 9.578 ( -0.184 -2.042 -0.477) 2.105 9.941 ( 0.852 -10.500 1.252) 10.608 9.950 ( -0.014 -10.658 0.328) 10.663 11.084 ( 3.301 7.068 0.989) 7.863 11.091 ( 2.565 7.117 0.271) 7.570 11.254 ( 0.086 3.317 0.350) 3.336 11.261 ( -0.593 3.402 -0.424) 3.479 ======================= Grid point 308 (105/112) ======================= q-point: ( 0.00 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 12.102 -0.118) 12.103 2.233 ( 0.000 8.872 -6.046) 10.736 2.646 ( 0.000 4.258 1.695) 4.583 2.695 ( 0.000 0.478 -3.493) 3.526 3.155 ( 0.000 5.761 5.206) 7.765 3.225 ( 0.000 0.011 -2.591) 2.591 3.467 ( 0.000 -4.274 1.712) 4.604 3.504 ( 0.000 -5.158 -1.941) 5.511 3.750 ( 0.000 5.212 4.388) 6.813 3.809 ( 0.000 1.467 1.509) 2.104 3.880 ( 0.000 4.467 -2.557) 5.147 3.912 ( 0.000 3.303 -3.262) 4.642 4.008 ( 0.000 -0.694 1.308) 1.481 4.028 ( 0.000 -2.040 -1.822) 2.735 4.194 ( 0.000 -0.825 1.750) 1.935 4.236 ( 0.000 -2.490 -2.894) 3.818 4.280 ( 0.000 4.262 3.091) 5.265 4.326 ( 0.000 3.761 -1.277) 3.972 4.853 ( 0.000 0.632 -0.172) 0.655 4.854 ( 0.000 -0.286 0.307) 0.420 4.903 ( 0.000 1.481 2.557) 2.955 4.971 ( 0.000 -2.197 -3.649) 4.259 5.188 ( 0.000 -2.386 4.452) 5.051 5.240 ( 0.000 -5.066 -1.288) 5.227 8.626 ( 0.000 2.106 0.599) 2.190 8.629 ( 0.000 0.812 0.250) 0.849 8.724 ( 0.000 -3.898 1.114) 4.054 8.751 ( 0.000 -4.309 -1.670) 4.622 9.555 ( 0.000 -0.990 -0.394) 1.066 9.559 ( 0.000 -1.132 -0.837) 1.408 9.761 ( 0.000 -4.818 1.054) 4.932 9.778 ( 0.000 -5.418 -0.630) 5.454 10.877 ( 0.000 2.194 1.408) 2.607 10.907 ( 0.000 0.718 -1.772) 1.912 11.311 ( 0.000 3.838 3.482) 5.182 11.339 ( 0.000 2.653 0.335) 2.674 ======================= Grid point 309 (106/112) ======================= q-point: ( 0.14 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 3.974 11.336 1.656) 12.126 2.294 ( 5.691 8.520 -6.651) 12.215 2.637 ( -0.379 4.050 3.333) 5.259 2.715 ( 1.742 1.014 -5.253) 5.626 3.093 ( -5.762 5.021 5.880) 9.643 3.187 ( -3.922 0.731 -3.607) 5.378 3.387 ( -7.855 -3.983 2.408) 9.130 3.426 ( -6.500 -3.419 -1.649) 7.527 3.777 ( 1.727 3.902 3.714) 5.657 3.831 ( 1.979 1.274 0.890) 2.516 3.884 ( 0.322 3.532 -2.396) 4.280 3.922 ( 0.716 3.702 -4.087) 5.560 4.011 ( 0.355 -0.542 0.418) 0.771 4.012 ( -1.092 -1.338 -0.954) 1.973 4.173 ( -1.843 -1.275 0.995) 2.452 4.201 ( -2.453 -0.951 -1.758) 3.164 4.316 ( 3.012 2.167 2.002) 4.216 4.352 ( 2.620 2.964 -1.069) 4.098 4.834 ( -2.150 -0.083 1.470) 2.606 4.839 ( -1.340 -0.093 0.338) 1.385 4.942 ( 2.952 1.410 1.613) 3.647 4.990 ( 1.602 -1.137 -2.792) 3.413 5.163 ( -2.197 -2.317 3.569) 4.789 5.203 ( -3.208 -4.523 -0.888) 5.616 8.634 ( 0.763 2.120 0.627) 2.338 8.638 ( 0.783 1.257 0.170) 1.491 8.746 ( 1.948 -4.013 1.185) 4.616 8.771 ( 1.773 -4.441 -1.437) 4.993 9.558 ( 0.282 -0.623 -0.472) 0.831 9.560 ( 0.085 -0.722 -0.680) 0.996 9.756 ( -0.426 -5.520 1.133) 5.651 9.774 ( -0.406 -6.136 -0.632) 6.182 10.932 ( 5.151 2.372 1.221) 5.800 10.957 ( 4.754 1.142 -1.492) 5.112 11.317 ( 0.564 3.685 3.090) 4.842 11.342 ( 0.236 2.669 0.318) 2.698 ======================= Grid point 310 (107/112) ======================= q-point: ( 0.29 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 7.412 9.771 4.782) 13.164 2.443 ( 8.706 6.848 -6.463) 12.824 2.650 ( 2.046 4.364 4.757) 6.772 2.760 ( 2.626 1.551 -6.653) 7.319 2.942 ( -8.795 4.119 6.735) 11.818 3.071 ( -7.298 2.019 -5.363) 9.279 3.192 ( -10.384 -2.195 3.794) 11.271 3.271 ( -8.414 -2.270 -4.338) 9.735 3.797 ( 0.421 2.919 3.097) 4.276 3.862 ( -0.703 3.649 -3.563) 5.148 3.890 ( 1.492 0.012 0.723) 1.658 3.936 ( 0.629 2.689 -4.369) 5.168 4.005 ( 0.362 -0.178 0.415) 0.579 4.021 ( 0.406 -0.408 -0.197) 0.608 4.137 ( -1.272 -2.372 0.134) 2.695 4.160 ( -1.419 -1.825 -1.978) 3.043 4.398 ( 5.119 1.662 2.191) 5.811 4.430 ( 5.013 1.685 -0.850) 5.357 4.764 ( -4.785 0.111 2.221) 5.277 4.787 ( -4.137 -0.837 -0.287) 4.231 4.990 ( 1.537 1.959 2.457) 3.498 5.023 ( 1.409 0.246 -0.874) 1.676 5.117 ( -2.030 -1.986 2.003) 3.475 5.141 ( -2.305 -3.142 -0.510) 3.930 8.652 ( 0.949 2.530 0.578) 2.763 8.656 ( 0.858 2.051 0.181) 2.231 8.790 ( 2.191 -4.489 1.110) 5.117 8.809 ( 1.728 -4.838 -0.835) 5.205 9.561 ( 0.099 0.172 -0.382) 0.431 9.563 ( 0.213 0.266 -0.563) 0.658 9.749 ( -0.195 -7.129 1.081) 7.213 9.764 ( -0.462 -7.564 -0.498) 7.594 11.063 ( 7.217 2.877 0.905) 7.822 11.079 ( 6.713 2.184 -0.783) 7.103 11.325 ( -0.060 3.190 2.131) 3.837 11.342 ( -0.522 2.569 0.248) 2.633 ======================= Grid point 311 (108/112) ======================= q-point: ( 0.43 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 8.819 7.895 6.994) 13.748 2.600 ( 3.673 4.768 0.665) 6.056 2.731 ( 5.762 3.848 0.961) 6.995 2.769 ( -3.344 7.266 3.457) 8.713 2.796 ( -2.586 -1.679 -0.338) 3.101 2.905 ( -9.147 5.964 -8.089) 13.590 3.041 ( -2.033 -2.032 -0.015) 2.875 3.111 ( -6.897 -1.617 -6.323) 9.495 3.806 ( 0.696 3.272 1.397) 3.625 3.829 ( -1.628 3.799 -0.878) 4.225 3.925 ( 1.395 -0.177 -2.055) 2.490 3.941 ( -0.224 0.668 -3.796) 3.861 4.013 ( 0.367 0.083 0.911) 0.985 4.021 ( -0.336 -0.434 0.789) 0.961 4.129 ( 0.333 -3.538 -1.034) 3.701 4.141 ( -0.697 -3.190 -1.934) 3.795 4.515 ( 6.153 1.550 2.104) 6.685 4.543 ( 5.682 0.923 -0.804) 5.813 4.653 ( -5.646 0.403 2.582) 6.221 4.680 ( -5.958 -0.601 -0.235) 5.993 5.011 ( 0.887 2.379 2.696) 3.703 5.030 ( -0.747 1.759 0.776) 2.062 5.098 ( 0.231 -2.006 0.935) 2.225 5.112 ( -0.941 -2.202 -0.391) 2.427 8.667 ( 0.461 2.940 0.463) 3.012 8.669 ( 0.332 2.790 0.316) 2.828 8.824 ( 1.069 -5.115 0.649) 5.266 8.831 ( 0.387 -5.243 -0.077) 5.258 9.564 ( 0.121 0.857 -0.291) 0.913 9.565 ( -0.017 0.919 -0.457) 1.027 9.749 ( 0.228 -8.365 0.619) 8.391 9.756 ( -0.382 -8.493 -0.043) 8.502 11.194 ( 5.046 3.950 0.875) 6.467 11.200 ( 4.581 3.815 0.192) 5.965 11.307 ( -1.586 1.940 0.915) 2.668 11.314 ( -2.102 1.803 0.074) 2.770 ======================= Grid point 315 (109/112) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 -1.463 -3.144) 3.467 2.323 ( 0.000 1.463 -3.144) 3.467 2.678 ( 0.000 -0.777 -1.700) 1.869 2.678 ( 0.000 0.777 -1.700) 1.869 3.238 ( 0.000 -0.868 2.867) 2.995 3.238 ( 0.000 0.868 2.867) 2.995 3.424 ( 0.000 -1.436 -0.251) 1.458 3.424 ( 0.000 1.436 -0.251) 1.458 3.800 ( 0.000 -1.016 4.636) 4.746 3.800 ( 0.000 1.016 4.636) 4.746 3.960 ( 0.000 -0.902 -5.224) 5.301 3.960 ( 0.000 0.902 -5.224) 5.301 3.981 ( 0.000 -0.743 -1.395) 1.581 3.981 ( 0.000 0.743 -1.395) 1.581 4.194 ( 0.000 -1.102 -0.241) 1.128 4.194 ( 0.000 1.102 -0.241) 1.128 4.358 ( 0.000 -1.681 1.817) 2.475 4.358 ( 0.000 1.681 1.817) 2.475 4.851 ( 0.000 -0.343 0.225) 0.411 4.851 ( 0.000 0.343 0.225) 0.411 4.937 ( 0.000 -1.589 -1.175) 1.977 4.937 ( 0.000 1.589 -1.175) 1.977 5.175 ( 0.000 -1.270 2.010) 2.378 5.175 ( 0.000 1.270 2.010) 2.378 8.651 ( 0.000 -0.808 0.375) 0.891 8.651 ( 0.000 0.808 0.375) 0.891 8.688 ( 0.000 -1.535 -0.145) 1.542 8.688 ( 0.000 1.535 -0.145) 1.542 9.548 ( 0.000 -0.103 -0.590) 0.599 9.548 ( 0.000 0.103 -0.590) 0.599 9.716 ( 0.000 -0.511 0.150) 0.533 9.716 ( 0.000 0.511 0.150) 0.533 10.906 ( 0.000 -0.763 -0.162) 0.780 10.906 ( 0.000 0.763 -0.162) 0.780 11.358 ( 0.000 -0.789 1.957) 2.110 11.358 ( 0.000 0.789 1.957) 2.110 ======================= Grid point 317 (110/112) ======================= q-point: ( 0.14 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.016 -2.645 -1.709) 5.103 2.365 ( 4.016 2.645 -1.709) 5.103 2.687 ( 1.047 -2.518 -2.708) 3.843 2.687 ( 1.047 2.518 -2.708) 3.843 3.184 ( -5.201 -3.115 3.766) 7.136 3.184 ( -5.201 3.115 3.766) 7.136 3.359 ( -6.066 -2.211 -1.045) 6.541 3.359 ( -6.066 2.211 -1.045) 6.541 3.819 ( 1.542 -1.279 4.277) 4.723 3.819 ( 1.542 1.279 4.277) 4.723 3.953 ( -0.678 -2.286 -4.962) 5.505 3.953 ( -0.678 2.286 -4.962) 5.505 3.992 ( 1.029 -1.241 -1.720) 2.358 3.992 ( 1.029 1.241 -1.720) 2.358 4.167 ( -2.378 -1.049 -0.701) 2.692 4.167 ( -2.378 1.049 -0.701) 2.692 4.376 ( 1.947 -1.530 1.593) 2.945 4.376 ( 1.947 1.530 1.593) 2.945 4.833 ( -1.862 -0.304 0.671) 2.003 4.833 ( -1.862 0.304 0.671) 2.003 4.969 ( 2.578 -1.179 -0.600) 2.898 4.969 ( 2.578 1.179 -0.600) 2.898 5.148 ( -2.293 -0.943 1.730) 3.023 5.148 ( -2.293 0.943 1.730) 3.023 8.663 ( 1.163 -0.730 0.343) 1.416 8.663 ( 1.163 0.730 0.343) 1.416 8.706 ( 1.559 -1.396 0.011) 2.093 8.706 ( 1.559 1.396 0.011) 2.093 9.556 ( 0.755 -0.021 -0.545) 0.932 9.556 ( 0.755 0.021 -0.545) 0.932 9.702 ( -1.269 -0.549 0.165) 1.392 9.702 ( -1.269 0.549 0.165) 1.392 10.962 ( 5.228 -0.660 -0.121) 5.271 10.962 ( 5.228 0.660 -0.121) 5.271 11.362 ( 0.325 -0.698 1.774) 1.934 11.362 ( 0.325 0.698 1.774) 1.934 ======================= Grid point 319 (111/112) ======================= q-point: ( 0.29 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 6.623 -3.950 2.077) 7.986 2.474 ( 6.623 3.950 2.077) 7.986 2.725 ( 2.684 -3.811 -5.163) 6.956 2.725 ( 2.684 3.811 -5.163) 6.956 3.046 ( -7.905 -5.159 6.029) 11.200 3.046 ( -7.905 5.159 6.029) 11.200 3.208 ( -8.373 -3.637 -4.215) 10.055 3.208 ( -8.373 3.637 -4.215) 10.055 3.849 ( 1.354 -2.656 3.098) 4.299 3.849 ( 1.354 2.656 3.098) 4.299 3.933 ( -1.277 -2.511 -3.869) 4.786 3.933 ( -1.277 2.511 -3.869) 4.786 4.019 ( 1.465 -0.765 -1.629) 2.320 4.019 ( 1.465 0.765 -1.629) 2.320 4.115 ( -2.509 -1.314 -1.541) 3.225 4.115 ( -2.509 1.314 -1.541) 3.225 4.441 ( 4.468 -1.233 1.268) 4.806 4.441 ( 4.468 1.233 1.268) 4.806 4.770 ( -4.406 -0.650 0.900) 4.544 4.770 ( -4.406 0.650 0.900) 4.544 5.019 ( 2.113 -0.842 1.082) 2.519 5.019 ( 2.113 0.842 1.082) 2.519 5.104 ( -1.815 -0.662 0.911) 2.136 5.104 ( -1.815 0.662 0.911) 2.136 8.693 ( 1.714 -0.674 0.325) 1.870 8.693 ( 1.714 0.674 0.325) 1.870 8.737 ( 1.206 -1.154 0.266) 1.690 8.737 ( 1.206 1.154 0.266) 1.690 9.576 ( 1.279 -0.238 -0.401) 1.361 9.576 ( 1.279 0.238 -0.401) 1.361 9.670 ( -1.738 -0.625 0.133) 1.852 9.670 ( -1.738 0.625 0.133) 1.852 11.095 ( 7.439 -0.432 0.043) 7.451 11.095 ( 7.439 0.432 0.043) 7.451 11.363 ( -0.541 -0.481 1.326) 1.511 11.363 ( -0.541 0.481 1.326) 1.511 ======================= Grid point 321 (112/112) ======================= q-point: ( 0.43 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.618 -3.659 5.308) 9.980 2.620 ( 7.618 3.659 5.308) 9.980 2.750 ( -3.095 -2.056 -0.029) 3.716 2.750 ( -3.095 2.056 -0.029) 3.716 2.936 ( 0.321 -6.758 -0.134) 6.767 2.936 ( 0.321 6.758 -0.134) 6.767 3.042 ( -7.739 -5.034 -6.473) 11.276 3.042 ( -7.739 5.034 -6.473) 11.276 3.876 ( 1.407 -3.727 1.227) 4.168 3.876 ( 1.407 3.727 1.227) 4.168 3.905 ( -1.437 -3.543 -1.335) 4.049 3.905 ( -1.437 3.543 -1.335) 4.049 4.045 ( 1.148 -1.406 -1.775) 2.539 4.045 ( 1.148 1.406 -1.775) 2.539 4.072 ( -1.708 -1.807 -2.141) 3.282 4.072 ( -1.708 1.807 -2.141) 3.282 4.547 ( 5.831 -0.953 1.096) 6.009 4.547 ( 5.831 0.953 1.096) 6.009 4.665 ( -5.744 -0.799 1.020) 5.889 4.665 ( -5.744 0.799 1.020) 5.889 5.052 ( 1.293 -1.181 1.636) 2.396 5.052 ( 1.293 1.181 1.636) 2.396 5.076 ( -1.168 -1.110 0.814) 1.805 5.076 ( -1.168 1.110 0.814) 1.805 8.726 ( 1.465 -0.751 0.362) 1.686 8.726 ( 1.465 0.751 0.362) 1.686 8.746 ( -0.335 -0.928 0.381) 1.058 8.746 ( -0.335 0.928 0.381) 1.058 9.605 ( 1.503 -0.518 -0.193) 1.602 9.605 ( 1.503 0.518 -0.193) 1.602 9.636 ( -1.634 -0.654 -0.000) 1.760 9.636 ( -1.634 0.654 -0.000) 1.760 11.236 ( 6.106 -0.228 0.360) 6.121 11.236 ( 6.106 0.228 0.360) 6.121 11.329 ( -3.045 -0.260 0.808) 3.161 11.329 ( -3.045 0.260 0.808) 3.161 =================== 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 3/21168 10.0 568.075 452.238 684.112 0.000 0.000 -0.000 3/21168 20.0 213.447 202.516 218.092 0.000 0.000 -0.000 3/21168 30.0 76.815 76.901 75.357 0.000 0.000 -0.000 3/21168 40.0 38.979 41.686 38.780 0.000 0.000 -0.000 3/21168 50.0 25.574 28.705 25.736 0.000 0.000 -0.000 3/21168 60.0 19.255 22.298 19.438 0.000 0.000 -0.000 3/21168 70.0 15.585 18.428 15.700 0.000 0.000 -0.000 3/21168 80.0 13.145 15.776 13.184 0.000 0.000 -0.000 3/21168 90.0 11.386 13.817 11.362 0.000 0.000 -0.000 3/21168 100.0 10.048 12.302 9.979 0.000 0.000 -0.000 3/21168 110.0 8.996 11.093 8.895 0.000 0.000 -0.000 3/21168 120.0 8.146 10.105 8.024 0.000 0.000 -0.000 3/21168 130.0 7.446 9.284 7.310 0.000 0.000 -0.000 3/21168 140.0 6.860 8.590 6.715 0.000 0.000 -0.000 3/21168 150.0 6.361 7.996 6.213 0.000 0.000 -0.000 3/21168 160.0 5.933 7.483 5.782 0.000 0.000 -0.000 3/21168 170.0 5.560 7.034 5.410 0.000 0.000 -0.000 3/21168 180.0 5.234 6.639 5.085 0.000 0.000 -0.000 3/21168 190.0 4.945 6.287 4.798 0.000 0.000 -0.000 3/21168 200.0 4.687 5.973 4.543 0.000 0.000 -0.000 3/21168 210.0 4.456 5.690 4.315 0.000 0.000 -0.000 3/21168 220.0 4.248 5.433 4.109 0.000 0.000 -0.000 3/21168 230.0 4.059 5.200 3.924 0.000 0.000 -0.000 3/21168 240.0 3.886 4.987 3.755 0.000 0.000 -0.000 3/21168 250.0 3.729 4.791 3.600 0.000 0.000 -0.000 3/21168 260.0 3.584 4.611 3.458 0.000 0.000 -0.000 3/21168 270.0 3.450 4.444 3.328 0.000 0.000 -0.000 3/21168 280.0 3.326 4.290 3.207 0.000 0.000 -0.000 3/21168 290.0 3.211 4.146 3.095 0.000 0.000 -0.000 3/21168 300.0 3.104 4.012 2.991 0.000 0.000 -0.000 3/21168 310.0 3.005 3.886 2.894 0.000 0.000 -0.000 3/21168 320.0 2.911 3.768 2.803 0.000 0.000 -0.000 3/21168 330.0 2.823 3.658 2.718 0.000 0.000 -0.000 3/21168 340.0 2.741 3.554 2.638 0.000 0.000 -0.000 3/21168 350.0 2.663 3.456 2.563 0.000 0.000 -0.000 3/21168 360.0 2.590 3.363 2.492 0.000 0.000 -0.000 3/21168 370.0 2.521 3.275 2.425 0.000 0.000 -0.000 3/21168 380.0 2.456 3.192 2.362 0.000 0.000 -0.000 3/21168 390.0 2.393 3.113 2.302 0.000 0.000 -0.000 3/21168 400.0 2.334 3.038 2.245 0.000 0.000 -0.000 3/21168 410.0 2.278 2.966 2.191 0.000 0.000 -0.000 3/21168 420.0 2.225 2.898 2.139 0.000 0.000 -0.000 3/21168 430.0 2.174 2.833 2.090 0.000 0.000 -0.000 3/21168 440.0 2.126 2.771 2.043 0.000 0.000 -0.000 3/21168 450.0 2.079 2.712 1.998 0.000 0.000 -0.000 3/21168 460.0 2.035 2.655 1.955 0.000 0.000 -0.000 3/21168 470.0 1.992 2.600 1.914 0.000 0.000 -0.000 3/21168 480.0 1.951 2.548 1.875 0.000 0.000 -0.000 3/21168 490.0 1.912 2.498 1.838 0.000 0.000 -0.000 3/21168 500.0 1.875 2.450 1.801 0.000 0.000 -0.000 3/21168 510.0 1.839 2.403 1.767 0.000 0.000 -0.000 3/21168 520.0 1.804 2.359 1.733 0.000 0.000 -0.000 3/21168 530.0 1.771 2.316 1.701 0.000 0.000 -0.000 3/21168 540.0 1.739 2.275 1.670 0.000 0.000 -0.000 3/21168 550.0 1.708 2.235 1.640 0.000 0.000 -0.000 3/21168 560.0 1.678 2.196 1.611 0.000 0.000 -0.000 3/21168 570.0 1.649 2.159 1.584 0.000 0.000 -0.000 3/21168 580.0 1.621 2.123 1.557 0.000 0.000 -0.000 3/21168 590.0 1.594 2.088 1.531 0.000 0.000 -0.000 3/21168 600.0 1.568 2.055 1.506 0.000 0.000 -0.000 3/21168 610.0 1.543 2.022 1.482 0.000 0.000 -0.000 3/21168 620.0 1.518 1.990 1.458 0.000 0.000 -0.000 3/21168 630.0 1.495 1.960 1.436 0.000 0.000 -0.000 3/21168 640.0 1.472 1.930 1.414 0.000 0.000 -0.000 3/21168 650.0 1.450 1.902 1.392 0.000 0.000 -0.000 3/21168 660.0 1.428 1.874 1.371 0.000 0.000 -0.000 3/21168 670.0 1.407 1.847 1.351 0.000 0.000 -0.000 3/21168 680.0 1.387 1.820 1.332 0.000 0.000 -0.000 3/21168 690.0 1.367 1.795 1.313 0.000 0.000 -0.000 3/21168 700.0 1.348 1.770 1.295 0.000 0.000 -0.000 3/21168 710.0 1.330 1.746 1.277 0.000 0.000 -0.000 3/21168 720.0 1.312 1.722 1.259 0.000 0.000 -0.000 3/21168 730.0 1.294 1.699 1.242 0.000 0.000 -0.000 3/21168 740.0 1.277 1.677 1.226 0.000 0.000 -0.000 3/21168 750.0 1.260 1.656 1.210 0.000 0.000 -0.000 3/21168 760.0 1.244 1.634 1.194 0.000 0.000 -0.000 3/21168 770.0 1.228 1.614 1.179 0.000 0.000 -0.000 3/21168 780.0 1.213 1.594 1.164 0.000 0.000 -0.000 3/21168 790.0 1.198 1.574 1.150 0.000 0.000 -0.000 3/21168 800.0 1.183 1.555 1.136 0.000 0.000 -0.000 3/21168 810.0 1.168 1.536 1.122 0.000 0.000 -0.000 3/21168 820.0 1.155 1.518 1.108 0.000 0.000 -0.000 3/21168 830.0 1.141 1.500 1.095 0.000 0.000 -0.000 3/21168 840.0 1.128 1.483 1.082 0.000 0.000 -0.000 3/21168 850.0 1.115 1.466 1.070 0.000 0.000 -0.000 3/21168 860.0 1.102 1.450 1.058 0.000 0.000 -0.000 3/21168 870.0 1.089 1.433 1.046 0.000 0.000 -0.000 3/21168 880.0 1.077 1.418 1.034 0.000 0.000 -0.000 3/21168 890.0 1.065 1.402 1.023 0.000 0.000 -0.000 3/21168 900.0 1.054 1.387 1.012 0.000 0.000 -0.000 3/21168 910.0 1.042 1.372 1.001 0.000 0.000 -0.000 3/21168 920.0 1.031 1.358 0.990 0.000 0.000 -0.000 3/21168 930.0 1.020 1.343 0.980 0.000 0.000 -0.000 3/21168 940.0 1.010 1.329 0.969 0.000 0.000 -0.000 3/21168 950.0 0.999 1.316 0.959 0.000 0.000 -0.000 3/21168 960.0 0.989 1.302 0.949 0.000 0.000 -0.000 3/21168 970.0 0.979 1.289 0.940 0.000 0.000 -0.000 3/21168 980.0 0.969 1.277 0.930 0.000 0.000 -0.000 3/21168 990.0 0.960 1.264 0.921 0.000 0.000 -0.000 3/21168 1000.0 0.950 1.252 0.912 0.000 0.000 -0.000 3/21168 Thermal conductivity related properties were written into "kappa-m7127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:28:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|