----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:17:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.017276130513788 -5.461952435000000 0.000000000000000 b 4.017276130513788 5.461952435000000 0.000000000000000 c -1.274599136603827 0.000000000000000 7.592092856175258 Atomic positions (fractional): *1 Rb 0.31731332068458 0.31731332068458 0.34955185322865 85.468 *2 Rb 0.80841038126901 0.19158961873099 0.50000000000000 85.468 3 Rb 0.19158961873099 0.80841038126901 0.50000000000000 85.468 *4 Rb 0.20751486843368 0.79248513156632 0.00000000000000 85.468 5 Rb 0.79248513156632 0.20751486843368 0.00000000000000 85.468 6 Rb 0.68268667931542 0.68268667931542 0.65044814677135 85.468 *7 Sb 0.28235233833134 0.28235233833134 0.83143282416923 121.760 8 Sb 0.71764766166866 0.71764766166866 0.16856717583077 121.760 *9 O 0.96371761289110 0.96371761289110 0.24013119402276 15.999 *10 O 0.21459644947686 0.48859635621246 0.69637874815970 15.999 11 O 0.48859635621246 0.21459644947686 0.69637874815970 15.999 12 O 0.51140364378754 0.78540355052314 0.30362125184030 15.999 13 O 0.78540355052314 0.51140364378754 0.30362125184030 15.999 14 O 0.03628238710890 0.03628238710890 0.75986880597724 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.034552261027576 0.000000000000000 0.000000000000000 b 0.000000000000000 10.923904869999999 0.000000000000000 c -1.274599136603827 0.000000000000000 7.592092856175258 Atomic positions (fractional): *1 Rb 0.31731332068458 0.00000000000000 0.34955185322865 85.468 > 1 *2 Rb 0.50000000000000 0.69158961873099 0.50000000000000 85.468 > 2 3 Rb 0.50000000000000 0.30841038126901 0.50000000000000 85.468 > 3 *4 Rb 0.50000000000000 0.29248513156632 0.00000000000000 85.468 > 4 5 Rb 0.50000000000000 0.70751486843368 0.00000000000000 85.468 > 5 6 Rb 0.68268667931542 0.00000000000000 0.65044814677135 85.468 > 6 7 Rb 0.81731332068458 0.50000000000000 0.34955185322865 85.468 > 1 8 Rb 0.00000000000000 0.19158961873099 0.50000000000000 85.468 > 2 9 Rb 0.00000000000000 0.80841038126901 0.50000000000000 85.468 > 3 10 Rb 0.00000000000000 0.79248513156632 0.00000000000000 85.468 > 4 11 Rb 0.00000000000000 0.20751486843368 0.00000000000000 85.468 > 5 12 Rb 0.18268667931542 0.50000000000000 0.65044814677135 85.468 > 6 *13 Sb 0.28235233833134 0.00000000000000 0.83143282416923 121.760 > 7 14 Sb 0.71764766166866 0.00000000000000 0.16856717583077 121.760 > 8 15 Sb 0.78235233833134 0.50000000000000 0.83143282416923 121.760 > 7 16 Sb 0.21764766166866 0.50000000000000 0.16856717583077 121.760 > 8 *17 O 0.96371761289110 0.00000000000000 0.24013119402276 15.999 > 9 *18 O 0.35159640284466 0.13699995336780 0.69637874815970 15.999 > 10 19 O 0.35159640284466 0.86300004663220 0.69637874815970 15.999 > 11 20 O 0.64840359715534 0.13699995336780 0.30362125184030 15.999 > 12 21 O 0.64840359715534 0.86300004663220 0.30362125184030 15.999 > 13 22 O 0.03628238710890 0.00000000000000 0.75986880597724 15.999 > 14 23 O 0.46371761289110 0.50000000000000 0.24013119402276 15.999 > 9 24 O 0.85159640284466 0.63699995336780 0.69637874815970 15.999 > 10 25 O 0.85159640284466 0.36300004663220 0.69637874815970 15.999 > 11 26 O 0.14840359715534 0.63699995336780 0.30362125184030 15.999 > 12 27 O 0.14840359715534 0.36300004663220 0.30362125184030 15.999 > 13 28 O 0.53628238710890 0.50000000000000 0.75986880597724 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.069104522055152 0.000000000000000 0.000000000000000 b 0.000000000000000 10.923904869999999 0.000000000000000 c -2.549198273207654 0.000000000000000 15.184185712350516 Atomic positions (fractional): *1 Rb 0.15865666034229 0.00000000000000 0.17477592661432 85.468 > 1 2 Rb 0.65865666034229 0.00000000000000 0.17477592661432 85.468 > 1 3 Rb 0.15865666034229 0.00000000000000 0.67477592661432 85.468 > 1 4 Rb 0.65865666034229 0.00000000000000 0.67477592661432 85.468 > 1 *5 Rb 0.25000000000000 0.69158961873099 0.25000000000000 85.468 > 2 6 Rb 0.75000000000000 0.69158961873099 0.25000000000000 85.468 > 2 7 Rb 0.25000000000000 0.69158961873099 0.75000000000000 85.468 > 2 8 Rb 0.75000000000000 0.69158961873099 0.75000000000000 85.468 > 2 9 Rb 0.25000000000000 0.30841038126901 0.25000000000000 85.468 > 3 10 Rb 0.75000000000000 0.30841038126901 0.25000000000000 85.468 > 3 11 Rb 0.25000000000000 0.30841038126901 0.75000000000000 85.468 > 3 12 Rb 0.75000000000000 0.30841038126901 0.75000000000000 85.468 > 3 *13 Rb 0.25000000000000 0.29248513156632 0.00000000000000 85.468 > 4 14 Rb 0.75000000000000 0.29248513156632 0.00000000000000 85.468 > 4 15 Rb 0.25000000000000 0.29248513156632 0.50000000000000 85.468 > 4 16 Rb 0.75000000000000 0.29248513156632 0.50000000000000 85.468 > 4 17 Rb 0.25000000000000 0.70751486843368 0.00000000000000 85.468 > 5 18 Rb 0.75000000000000 0.70751486843368 0.00000000000000 85.468 > 5 19 Rb 0.25000000000000 0.70751486843368 0.50000000000000 85.468 > 5 20 Rb 0.75000000000000 0.70751486843368 0.50000000000000 85.468 > 5 21 Rb 0.34134333965771 0.00000000000000 0.32522407338568 85.468 > 6 22 Rb 0.84134333965771 0.00000000000000 0.32522407338568 85.468 > 6 23 Rb 0.34134333965771 0.00000000000000 0.82522407338568 85.468 > 6 24 Rb 0.84134333965771 0.00000000000000 0.82522407338568 85.468 > 6 25 Rb 0.40865666034229 0.50000000000000 0.17477592661432 85.468 > 1 26 Rb 0.90865666034229 0.50000000000000 0.17477592661432 85.468 > 1 27 Rb 0.40865666034229 0.50000000000000 0.67477592661432 85.468 > 1 28 Rb 0.90865666034229 0.50000000000000 0.67477592661432 85.468 > 1 29 Rb 0.00000000000000 0.19158961873099 0.25000000000000 85.468 > 2 30 Rb 0.50000000000000 0.19158961873099 0.25000000000000 85.468 > 2 31 Rb 0.00000000000000 0.19158961873099 0.75000000000000 85.468 > 2 32 Rb 0.50000000000000 0.19158961873099 0.75000000000000 85.468 > 2 33 Rb 0.00000000000000 0.80841038126901 0.25000000000000 85.468 > 3 34 Rb 0.50000000000000 0.80841038126901 0.25000000000000 85.468 > 3 35 Rb 0.00000000000000 0.80841038126901 0.75000000000000 85.468 > 3 36 Rb 0.50000000000000 0.80841038126901 0.75000000000000 85.468 > 3 37 Rb 0.00000000000000 0.79248513156632 0.00000000000000 85.468 > 4 38 Rb 0.50000000000000 0.79248513156632 0.00000000000000 85.468 > 4 39 Rb 0.00000000000000 0.79248513156632 0.50000000000000 85.468 > 4 40 Rb 0.50000000000000 0.79248513156632 0.50000000000000 85.468 > 4 41 Rb 0.00000000000000 0.20751486843368 0.00000000000000 85.468 > 5 42 Rb 0.50000000000000 0.20751486843368 0.00000000000000 85.468 > 5 43 Rb 0.00000000000000 0.20751486843368 0.50000000000000 85.468 > 5 44 Rb 0.50000000000000 0.20751486843368 0.50000000000000 85.468 > 5 45 Rb 0.09134333965771 0.50000000000000 0.32522407338568 85.468 > 6 46 Rb 0.59134333965771 0.50000000000000 0.32522407338568 85.468 > 6 47 Rb 0.09134333965771 0.50000000000000 0.82522407338568 85.468 > 6 48 Rb 0.59134333965771 0.50000000000000 0.82522407338568 85.468 > 6 *49 Sb 0.14117616916567 0.00000000000000 0.41571641208461 121.760 > 7 50 Sb 0.64117616916567 0.00000000000000 0.41571641208461 121.760 > 7 51 Sb 0.14117616916567 0.00000000000000 0.91571641208461 121.760 > 7 52 Sb 0.64117616916567 0.00000000000000 0.91571641208461 121.760 > 7 53 Sb 0.35882383083433 0.00000000000000 0.08428358791539 121.760 > 8 54 Sb 0.85882383083433 0.00000000000000 0.08428358791539 121.760 > 8 55 Sb 0.35882383083433 0.00000000000000 0.58428358791539 121.760 > 8 56 Sb 0.85882383083433 0.00000000000000 0.58428358791539 121.760 > 8 57 Sb 0.39117616916567 0.50000000000000 0.41571641208461 121.760 > 7 58 Sb 0.89117616916567 0.50000000000000 0.41571641208461 121.760 > 7 59 Sb 0.39117616916567 0.50000000000000 0.91571641208461 121.760 > 7 60 Sb 0.89117616916567 0.50000000000000 0.91571641208461 121.760 > 7 61 Sb 0.10882383083433 0.50000000000000 0.08428358791539 121.760 > 8 62 Sb 0.60882383083433 0.50000000000000 0.08428358791539 121.760 > 8 63 Sb 0.10882383083433 0.50000000000000 0.58428358791539 121.760 > 8 64 Sb 0.60882383083433 0.50000000000000 0.58428358791539 121.760 > 8 *65 O 0.48185880644555 0.00000000000000 0.12006559701138 15.999 > 9 66 O 0.98185880644555 0.00000000000000 0.12006559701138 15.999 > 9 67 O 0.48185880644555 0.00000000000000 0.62006559701138 15.999 > 9 68 O 0.98185880644555 0.00000000000000 0.62006559701138 15.999 > 9 *69 O 0.17579820142233 0.13699995336780 0.34818937407985 15.999 > 10 70 O 0.67579820142233 0.13699995336780 0.34818937407985 15.999 > 10 71 O 0.17579820142233 0.13699995336780 0.84818937407985 15.999 > 10 72 O 0.67579820142233 0.13699995336780 0.84818937407985 15.999 > 10 73 O 0.17579820142233 0.86300004663220 0.34818937407985 15.999 > 11 74 O 0.67579820142233 0.86300004663220 0.34818937407985 15.999 > 11 75 O 0.17579820142233 0.86300004663220 0.84818937407985 15.999 > 11 76 O 0.67579820142233 0.86300004663220 0.84818937407985 15.999 > 11 77 O 0.32420179857767 0.13699995336780 0.15181062592015 15.999 > 12 78 O 0.82420179857767 0.13699995336780 0.15181062592015 15.999 > 12 79 O 0.32420179857767 0.13699995336780 0.65181062592015 15.999 > 12 80 O 0.82420179857767 0.13699995336780 0.65181062592015 15.999 > 12 81 O 0.32420179857767 0.86300004663220 0.15181062592015 15.999 > 13 82 O 0.82420179857767 0.86300004663220 0.15181062592015 15.999 > 13 83 O 0.32420179857767 0.86300004663220 0.65181062592015 15.999 > 13 84 O 0.82420179857767 0.86300004663220 0.65181062592015 15.999 > 13 85 O 0.01814119355445 0.00000000000000 0.37993440298862 15.999 > 14 86 O 0.51814119355445 0.00000000000000 0.37993440298862 15.999 > 14 87 O 0.01814119355445 0.00000000000000 0.87993440298862 15.999 > 14 88 O 0.51814119355445 0.00000000000000 0.87993440298862 15.999 > 14 89 O 0.23185880644555 0.50000000000000 0.12006559701138 15.999 > 9 90 O 0.73185880644555 0.50000000000000 0.12006559701138 15.999 > 9 91 O 0.23185880644555 0.50000000000000 0.62006559701138 15.999 > 9 92 O 0.73185880644555 0.50000000000000 0.62006559701138 15.999 > 9 93 O 0.42579820142233 0.63699995336780 0.34818937407985 15.999 > 10 94 O 0.92579820142233 0.63699995336780 0.34818937407985 15.999 > 10 95 O 0.42579820142233 0.63699995336780 0.84818937407985 15.999 > 10 96 O 0.92579820142233 0.63699995336780 0.84818937407985 15.999 > 10 97 O 0.42579820142233 0.36300004663220 0.34818937407985 15.999 > 11 98 O 0.92579820142233 0.36300004663220 0.34818937407985 15.999 > 11 99 O 0.42579820142233 0.36300004663220 0.84818937407985 15.999 > 11 100 O 0.92579820142233 0.36300004663220 0.84818937407985 15.999 > 11 101 O 0.07420179857767 0.63699995336780 0.15181062592015 15.999 > 12 102 O 0.57420179857767 0.63699995336780 0.15181062592015 15.999 > 12 103 O 0.07420179857767 0.63699995336780 0.65181062592015 15.999 > 12 104 O 0.57420179857767 0.63699995336780 0.65181062592015 15.999 > 12 105 O 0.07420179857767 0.36300004663220 0.15181062592015 15.999 > 13 106 O 0.57420179857767 0.36300004663220 0.15181062592015 15.999 > 13 107 O 0.07420179857767 0.36300004663220 0.65181062592015 15.999 > 13 108 O 0.57420179857767 0.36300004663220 0.65181062592015 15.999 > 13 109 O 0.26814119355445 0.50000000000000 0.37993440298862 15.999 > 14 110 O 0.76814119355445 0.50000000000000 0.37993440298862 15.999 > 14 111 O 0.26814119355445 0.50000000000000 0.87993440298862 15.999 > 14 112 O 0.76814119355445 0.50000000000000 0.87993440298862 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3050443 0.0000000 0.0251646 0.0000000 3.2209362 0.0000000 0.0251652 0.0000000 3.1821341 -------------------------- Born effective charges -------------------------- 1 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 2 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 3 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 4 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 5 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 6 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 7 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 8 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 9 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 10 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 11 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 12 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 13 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 14 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.090 Solver_block: 200 / 480 - Time: 3.087 Solver_block: 300 / 480 - Time: 3.084 Solver_block: 400 / 480 - Time: 3.079 Solver_block: 480 / 480 - Time: 2.498 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.890 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8592/8592 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1930 Number of blocks in projector: 1930 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1930, 1897), data: False |-- (278, 272), data: True |-- (278, 272), data: True |-- (278, 272), data: True |-- (312, 310), data: True |-- (312, 310), data: True |-- (472, 461), 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 23:18:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:18:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.017276130513788 -5.461952435000000 0.000000000000000 b 4.017276130513788 5.461952435000000 0.000000000000000 c -1.274599136603827 0.000000000000000 7.592092856175258 Atomic positions (fractional): 1 Rb 0.31731332068458 0.31731332068458 0.34955185322865 85.468 2 Rb 0.80841038126901 0.19158961873099 0.50000000000000 85.468 3 Rb 0.19158961873099 0.80841038126901 0.50000000000000 85.468 4 Rb 0.20751486843368 0.79248513156632 0.00000000000000 85.468 5 Rb 0.79248513156632 0.20751486843368 0.00000000000000 85.468 6 Rb 0.68268667931542 0.68268667931542 0.65044814677135 85.468 7 Sb 0.28235233833134 0.28235233833134 0.83143282416923 121.760 8 Sb 0.71764766166866 0.71764766166866 0.16856717583077 121.760 9 O 0.96371761289110 0.96371761289110 0.24013119402276 15.999 10 O 0.21459644947686 0.48859635621246 0.69637874815970 15.999 11 O 0.48859635621246 0.21459644947686 0.69637874815970 15.999 12 O 0.51140364378754 0.78540355052314 0.30362125184030 15.999 13 O 0.78540355052314 0.51140364378754 0.30362125184030 15.999 14 O 0.03628238710890 0.03628238710890 0.75986880597724 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.069104522055152 0.000000000000000 0.000000000000000 b 0.000000000000000 10.923904869999999 0.000000000000000 c -2.549198273207654 0.000000000000000 15.184185712350516 Atomic positions (fractional): 1 Rb 0.15865666034229 0.00000000000000 0.17477592661432 85.468 > 1 2 Rb 0.65865666034229 0.00000000000000 0.17477592661432 85.468 > 1 3 Rb 0.15865666034229 0.00000000000000 0.67477592661432 85.468 > 1 4 Rb 0.65865666034229 0.00000000000000 0.67477592661432 85.468 > 1 5 Rb 0.25000000000000 0.69158961873099 0.25000000000000 85.468 > 5 6 Rb 0.75000000000000 0.69158961873099 0.25000000000000 85.468 > 5 7 Rb 0.25000000000000 0.69158961873099 0.75000000000000 85.468 > 5 8 Rb 0.75000000000000 0.69158961873099 0.75000000000000 85.468 > 5 9 Rb 0.25000000000000 0.30841038126901 0.25000000000000 85.468 > 9 10 Rb 0.75000000000000 0.30841038126901 0.25000000000000 85.468 > 9 11 Rb 0.25000000000000 0.30841038126901 0.75000000000000 85.468 > 9 12 Rb 0.75000000000000 0.30841038126901 0.75000000000000 85.468 > 9 13 Rb 0.25000000000000 0.29248513156632 0.00000000000000 85.468 > 13 14 Rb 0.75000000000000 0.29248513156632 0.00000000000000 85.468 > 13 15 Rb 0.25000000000000 0.29248513156632 0.50000000000000 85.468 > 13 16 Rb 0.75000000000000 0.29248513156632 0.50000000000000 85.468 > 13 17 Rb 0.25000000000000 0.70751486843368 0.00000000000000 85.468 > 17 18 Rb 0.75000000000000 0.70751486843368 0.00000000000000 85.468 > 17 19 Rb 0.25000000000000 0.70751486843368 0.50000000000000 85.468 > 17 20 Rb 0.75000000000000 0.70751486843368 0.50000000000000 85.468 > 17 21 Rb 0.34134333965771 0.00000000000000 0.32522407338568 85.468 > 21 22 Rb 0.84134333965771 0.00000000000000 0.32522407338568 85.468 > 21 23 Rb 0.34134333965771 0.00000000000000 0.82522407338568 85.468 > 21 24 Rb 0.84134333965771 0.00000000000000 0.82522407338568 85.468 > 21 25 Rb 0.40865666034229 0.50000000000000 0.17477592661432 85.468 > 1 26 Rb 0.90865666034229 0.50000000000000 0.17477592661432 85.468 > 1 27 Rb 0.40865666034229 0.50000000000000 0.67477592661432 85.468 > 1 28 Rb 0.90865666034229 0.50000000000000 0.67477592661432 85.468 > 1 29 Rb 0.00000000000000 0.19158961873099 0.25000000000000 85.468 > 5 30 Rb 0.50000000000000 0.19158961873099 0.25000000000000 85.468 > 5 31 Rb 0.00000000000000 0.19158961873099 0.75000000000000 85.468 > 5 32 Rb 0.50000000000000 0.19158961873099 0.75000000000000 85.468 > 5 33 Rb 0.00000000000000 0.80841038126901 0.25000000000000 85.468 > 9 34 Rb 0.50000000000000 0.80841038126901 0.25000000000000 85.468 > 9 35 Rb 0.00000000000000 0.80841038126901 0.75000000000000 85.468 > 9 36 Rb 0.50000000000000 0.80841038126901 0.75000000000000 85.468 > 9 37 Rb 0.00000000000000 0.79248513156632 0.00000000000000 85.468 > 13 38 Rb 0.50000000000000 0.79248513156632 0.00000000000000 85.468 > 13 39 Rb 0.00000000000000 0.79248513156632 0.50000000000000 85.468 > 13 40 Rb 0.50000000000000 0.79248513156632 0.50000000000000 85.468 > 13 41 Rb 0.00000000000000 0.20751486843368 0.00000000000000 85.468 > 17 42 Rb 0.50000000000000 0.20751486843368 0.00000000000000 85.468 > 17 43 Rb 0.00000000000000 0.20751486843368 0.50000000000000 85.468 > 17 44 Rb 0.50000000000000 0.20751486843368 0.50000000000000 85.468 > 17 45 Rb 0.09134333965771 0.50000000000000 0.32522407338568 85.468 > 21 46 Rb 0.59134333965771 0.50000000000000 0.32522407338568 85.468 > 21 47 Rb 0.09134333965771 0.50000000000000 0.82522407338568 85.468 > 21 48 Rb 0.59134333965771 0.50000000000000 0.82522407338568 85.468 > 21 49 Sb 0.14117616916567 0.00000000000000 0.41571641208461 121.760 > 49 50 Sb 0.64117616916567 0.00000000000000 0.41571641208461 121.760 > 49 51 Sb 0.14117616916567 0.00000000000000 0.91571641208461 121.760 > 49 52 Sb 0.64117616916567 0.00000000000000 0.91571641208461 121.760 > 49 53 Sb 0.35882383083433 0.00000000000000 0.08428358791539 121.760 > 53 54 Sb 0.85882383083433 0.00000000000000 0.08428358791539 121.760 > 53 55 Sb 0.35882383083433 0.00000000000000 0.58428358791539 121.760 > 53 56 Sb 0.85882383083433 0.00000000000000 0.58428358791539 121.760 > 53 57 Sb 0.39117616916567 0.50000000000000 0.41571641208461 121.760 > 49 58 Sb 0.89117616916567 0.50000000000000 0.41571641208461 121.760 > 49 59 Sb 0.39117616916567 0.50000000000000 0.91571641208461 121.760 > 49 60 Sb 0.89117616916567 0.50000000000000 0.91571641208461 121.760 > 49 61 Sb 0.10882383083433 0.50000000000000 0.08428358791539 121.760 > 53 62 Sb 0.60882383083433 0.50000000000000 0.08428358791539 121.760 > 53 63 Sb 0.10882383083433 0.50000000000000 0.58428358791539 121.760 > 53 64 Sb 0.60882383083433 0.50000000000000 0.58428358791539 121.760 > 53 65 O 0.48185880644555 0.00000000000000 0.12006559701138 15.999 > 65 66 O 0.98185880644555 0.00000000000000 0.12006559701138 15.999 > 65 67 O 0.48185880644555 0.00000000000000 0.62006559701138 15.999 > 65 68 O 0.98185880644555 0.00000000000000 0.62006559701138 15.999 > 65 69 O 0.17579820142233 0.13699995336780 0.34818937407985 15.999 > 69 70 O 0.67579820142233 0.13699995336780 0.34818937407985 15.999 > 69 71 O 0.17579820142233 0.13699995336780 0.84818937407985 15.999 > 69 72 O 0.67579820142233 0.13699995336780 0.84818937407985 15.999 > 69 73 O 0.17579820142233 0.86300004663220 0.34818937407985 15.999 > 73 74 O 0.67579820142233 0.86300004663220 0.34818937407985 15.999 > 73 75 O 0.17579820142233 0.86300004663220 0.84818937407985 15.999 > 73 76 O 0.67579820142233 0.86300004663220 0.84818937407985 15.999 > 73 77 O 0.32420179857767 0.13699995336780 0.15181062592015 15.999 > 77 78 O 0.82420179857767 0.13699995336780 0.15181062592015 15.999 > 77 79 O 0.32420179857767 0.13699995336780 0.65181062592015 15.999 > 77 80 O 0.82420179857767 0.13699995336780 0.65181062592015 15.999 > 77 81 O 0.32420179857767 0.86300004663220 0.15181062592015 15.999 > 81 82 O 0.82420179857767 0.86300004663220 0.15181062592015 15.999 > 81 83 O 0.32420179857767 0.86300004663220 0.65181062592015 15.999 > 81 84 O 0.82420179857767 0.86300004663220 0.65181062592015 15.999 > 81 85 O 0.01814119355445 0.00000000000000 0.37993440298862 15.999 > 85 86 O 0.51814119355445 0.00000000000000 0.37993440298862 15.999 > 85 87 O 0.01814119355445 0.00000000000000 0.87993440298862 15.999 > 85 88 O 0.51814119355445 0.00000000000000 0.87993440298862 15.999 > 85 89 O 0.23185880644555 0.50000000000000 0.12006559701138 15.999 > 65 90 O 0.73185880644555 0.50000000000000 0.12006559701138 15.999 > 65 91 O 0.23185880644555 0.50000000000000 0.62006559701138 15.999 > 65 92 O 0.73185880644555 0.50000000000000 0.62006559701138 15.999 > 65 93 O 0.42579820142233 0.63699995336780 0.34818937407985 15.999 > 69 94 O 0.92579820142233 0.63699995336780 0.34818937407985 15.999 > 69 95 O 0.42579820142233 0.63699995336780 0.84818937407985 15.999 > 69 96 O 0.92579820142233 0.63699995336780 0.84818937407985 15.999 > 69 97 O 0.42579820142233 0.36300004663220 0.34818937407985 15.999 > 73 98 O 0.92579820142233 0.36300004663220 0.34818937407985 15.999 > 73 99 O 0.42579820142233 0.36300004663220 0.84818937407985 15.999 > 73 100 O 0.92579820142233 0.36300004663220 0.84818937407985 15.999 > 73 101 O 0.07420179857767 0.63699995336780 0.15181062592015 15.999 > 77 102 O 0.57420179857767 0.63699995336780 0.15181062592015 15.999 > 77 103 O 0.07420179857767 0.63699995336780 0.65181062592015 15.999 > 77 104 O 0.57420179857767 0.63699995336780 0.65181062592015 15.999 > 77 105 O 0.07420179857767 0.36300004663220 0.15181062592015 15.999 > 81 106 O 0.57420179857767 0.36300004663220 0.15181062592015 15.999 > 81 107 O 0.07420179857767 0.36300004663220 0.65181062592015 15.999 > 81 108 O 0.57420179857767 0.36300004663220 0.65181062592015 15.999 > 81 109 O 0.26814119355445 0.50000000000000 0.37993440298862 15.999 > 85 110 O 0.76814119355445 0.50000000000000 0.37993440298862 15.999 > 85 111 O 0.26814119355445 0.50000000000000 0.87993440298862 15.999 > 85 112 O 0.76814119355445 0.50000000000000 0.87993440298862 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3050443 0.0000000 0.0251646 0.0000000 3.2209362 0.0000000 0.0251652 0.0000000 3.1821341 -------------------------- Born effective charges -------------------------- 1 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 2 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 3 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 4 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 5 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 6 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 7 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 8 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 9 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 10 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 11 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 12 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 13 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 14 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 65, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 69, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) 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 23:18:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:18:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.017276130513788 -5.461952435000000 0.000000000000000 b 4.017276130513788 5.461952435000000 0.000000000000000 c -1.274599136603827 0.000000000000000 7.592092856175258 Atomic positions (fractional): 1 Rb 0.31731332068458 0.31731332068458 0.34955185322865 85.468 2 Rb 0.80841038126901 0.19158961873099 0.50000000000000 85.468 3 Rb 0.19158961873099 0.80841038126901 0.50000000000000 85.468 4 Rb 0.20751486843368 0.79248513156632 0.00000000000000 85.468 5 Rb 0.79248513156632 0.20751486843368 0.00000000000000 85.468 6 Rb 0.68268667931542 0.68268667931542 0.65044814677135 85.468 7 Sb 0.28235233833134 0.28235233833134 0.83143282416923 121.760 8 Sb 0.71764766166866 0.71764766166866 0.16856717583077 121.760 9 O 0.96371761289110 0.96371761289110 0.24013119402276 15.999 10 O 0.21459644947686 0.48859635621246 0.69637874815970 15.999 11 O 0.48859635621246 0.21459644947686 0.69637874815970 15.999 12 O 0.51140364378754 0.78540355052314 0.30362125184030 15.999 13 O 0.78540355052314 0.51140364378754 0.30362125184030 15.999 14 O 0.03628238710890 0.03628238710890 0.75986880597724 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.069104522055152 0.000000000000000 0.000000000000000 b 0.000000000000000 10.923904869999999 0.000000000000000 c -2.549198273207654 0.000000000000000 15.184185712350516 Atomic positions (fractional): 1 Rb 0.15865666034229 0.00000000000000 0.17477592661432 85.468 > 1 2 Rb 0.65865666034229 0.00000000000000 0.17477592661432 85.468 > 1 3 Rb 0.15865666034229 0.00000000000000 0.67477592661432 85.468 > 1 4 Rb 0.65865666034229 0.00000000000000 0.67477592661432 85.468 > 1 5 Rb 0.25000000000000 0.69158961873099 0.25000000000000 85.468 > 5 6 Rb 0.75000000000000 0.69158961873099 0.25000000000000 85.468 > 5 7 Rb 0.25000000000000 0.69158961873099 0.75000000000000 85.468 > 5 8 Rb 0.75000000000000 0.69158961873099 0.75000000000000 85.468 > 5 9 Rb 0.25000000000000 0.30841038126901 0.25000000000000 85.468 > 9 10 Rb 0.75000000000000 0.30841038126901 0.25000000000000 85.468 > 9 11 Rb 0.25000000000000 0.30841038126901 0.75000000000000 85.468 > 9 12 Rb 0.75000000000000 0.30841038126901 0.75000000000000 85.468 > 9 13 Rb 0.25000000000000 0.29248513156632 0.00000000000000 85.468 > 13 14 Rb 0.75000000000000 0.29248513156632 0.00000000000000 85.468 > 13 15 Rb 0.25000000000000 0.29248513156632 0.50000000000000 85.468 > 13 16 Rb 0.75000000000000 0.29248513156632 0.50000000000000 85.468 > 13 17 Rb 0.25000000000000 0.70751486843368 0.00000000000000 85.468 > 17 18 Rb 0.75000000000000 0.70751486843368 0.00000000000000 85.468 > 17 19 Rb 0.25000000000000 0.70751486843368 0.50000000000000 85.468 > 17 20 Rb 0.75000000000000 0.70751486843368 0.50000000000000 85.468 > 17 21 Rb 0.34134333965771 0.00000000000000 0.32522407338568 85.468 > 21 22 Rb 0.84134333965771 0.00000000000000 0.32522407338568 85.468 > 21 23 Rb 0.34134333965771 0.00000000000000 0.82522407338568 85.468 > 21 24 Rb 0.84134333965771 0.00000000000000 0.82522407338568 85.468 > 21 25 Rb 0.40865666034229 0.50000000000000 0.17477592661432 85.468 > 1 26 Rb 0.90865666034229 0.50000000000000 0.17477592661432 85.468 > 1 27 Rb 0.40865666034229 0.50000000000000 0.67477592661432 85.468 > 1 28 Rb 0.90865666034229 0.50000000000000 0.67477592661432 85.468 > 1 29 Rb 0.00000000000000 0.19158961873099 0.25000000000000 85.468 > 5 30 Rb 0.50000000000000 0.19158961873099 0.25000000000000 85.468 > 5 31 Rb 0.00000000000000 0.19158961873099 0.75000000000000 85.468 > 5 32 Rb 0.50000000000000 0.19158961873099 0.75000000000000 85.468 > 5 33 Rb 0.00000000000000 0.80841038126901 0.25000000000000 85.468 > 9 34 Rb 0.50000000000000 0.80841038126901 0.25000000000000 85.468 > 9 35 Rb 0.00000000000000 0.80841038126901 0.75000000000000 85.468 > 9 36 Rb 0.50000000000000 0.80841038126901 0.75000000000000 85.468 > 9 37 Rb 0.00000000000000 0.79248513156632 0.00000000000000 85.468 > 13 38 Rb 0.50000000000000 0.79248513156632 0.00000000000000 85.468 > 13 39 Rb 0.00000000000000 0.79248513156632 0.50000000000000 85.468 > 13 40 Rb 0.50000000000000 0.79248513156632 0.50000000000000 85.468 > 13 41 Rb 0.00000000000000 0.20751486843368 0.00000000000000 85.468 > 17 42 Rb 0.50000000000000 0.20751486843368 0.00000000000000 85.468 > 17 43 Rb 0.00000000000000 0.20751486843368 0.50000000000000 85.468 > 17 44 Rb 0.50000000000000 0.20751486843368 0.50000000000000 85.468 > 17 45 Rb 0.09134333965771 0.50000000000000 0.32522407338568 85.468 > 21 46 Rb 0.59134333965771 0.50000000000000 0.32522407338568 85.468 > 21 47 Rb 0.09134333965771 0.50000000000000 0.82522407338568 85.468 > 21 48 Rb 0.59134333965771 0.50000000000000 0.82522407338568 85.468 > 21 49 Sb 0.14117616916567 0.00000000000000 0.41571641208461 121.760 > 49 50 Sb 0.64117616916567 0.00000000000000 0.41571641208461 121.760 > 49 51 Sb 0.14117616916567 0.00000000000000 0.91571641208461 121.760 > 49 52 Sb 0.64117616916567 0.00000000000000 0.91571641208461 121.760 > 49 53 Sb 0.35882383083433 0.00000000000000 0.08428358791539 121.760 > 53 54 Sb 0.85882383083433 0.00000000000000 0.08428358791539 121.760 > 53 55 Sb 0.35882383083433 0.00000000000000 0.58428358791539 121.760 > 53 56 Sb 0.85882383083433 0.00000000000000 0.58428358791539 121.760 > 53 57 Sb 0.39117616916567 0.50000000000000 0.41571641208461 121.760 > 49 58 Sb 0.89117616916567 0.50000000000000 0.41571641208461 121.760 > 49 59 Sb 0.39117616916567 0.50000000000000 0.91571641208461 121.760 > 49 60 Sb 0.89117616916567 0.50000000000000 0.91571641208461 121.760 > 49 61 Sb 0.10882383083433 0.50000000000000 0.08428358791539 121.760 > 53 62 Sb 0.60882383083433 0.50000000000000 0.08428358791539 121.760 > 53 63 Sb 0.10882383083433 0.50000000000000 0.58428358791539 121.760 > 53 64 Sb 0.60882383083433 0.50000000000000 0.58428358791539 121.760 > 53 65 O 0.48185880644555 0.00000000000000 0.12006559701138 15.999 > 65 66 O 0.98185880644555 0.00000000000000 0.12006559701138 15.999 > 65 67 O 0.48185880644555 0.00000000000000 0.62006559701138 15.999 > 65 68 O 0.98185880644555 0.00000000000000 0.62006559701138 15.999 > 65 69 O 0.17579820142233 0.13699995336780 0.34818937407985 15.999 > 69 70 O 0.67579820142233 0.13699995336780 0.34818937407985 15.999 > 69 71 O 0.17579820142233 0.13699995336780 0.84818937407985 15.999 > 69 72 O 0.67579820142233 0.13699995336780 0.84818937407985 15.999 > 69 73 O 0.17579820142233 0.86300004663220 0.34818937407985 15.999 > 73 74 O 0.67579820142233 0.86300004663220 0.34818937407985 15.999 > 73 75 O 0.17579820142233 0.86300004663220 0.84818937407985 15.999 > 73 76 O 0.67579820142233 0.86300004663220 0.84818937407985 15.999 > 73 77 O 0.32420179857767 0.13699995336780 0.15181062592015 15.999 > 77 78 O 0.82420179857767 0.13699995336780 0.15181062592015 15.999 > 77 79 O 0.32420179857767 0.13699995336780 0.65181062592015 15.999 > 77 80 O 0.82420179857767 0.13699995336780 0.65181062592015 15.999 > 77 81 O 0.32420179857767 0.86300004663220 0.15181062592015 15.999 > 81 82 O 0.82420179857767 0.86300004663220 0.15181062592015 15.999 > 81 83 O 0.32420179857767 0.86300004663220 0.65181062592015 15.999 > 81 84 O 0.82420179857767 0.86300004663220 0.65181062592015 15.999 > 81 85 O 0.01814119355445 0.00000000000000 0.37993440298862 15.999 > 85 86 O 0.51814119355445 0.00000000000000 0.37993440298862 15.999 > 85 87 O 0.01814119355445 0.00000000000000 0.87993440298862 15.999 > 85 88 O 0.51814119355445 0.00000000000000 0.87993440298862 15.999 > 85 89 O 0.23185880644555 0.50000000000000 0.12006559701138 15.999 > 65 90 O 0.73185880644555 0.50000000000000 0.12006559701138 15.999 > 65 91 O 0.23185880644555 0.50000000000000 0.62006559701138 15.999 > 65 92 O 0.73185880644555 0.50000000000000 0.62006559701138 15.999 > 65 93 O 0.42579820142233 0.63699995336780 0.34818937407985 15.999 > 69 94 O 0.92579820142233 0.63699995336780 0.34818937407985 15.999 > 69 95 O 0.42579820142233 0.63699995336780 0.84818937407985 15.999 > 69 96 O 0.92579820142233 0.63699995336780 0.84818937407985 15.999 > 69 97 O 0.42579820142233 0.36300004663220 0.34818937407985 15.999 > 73 98 O 0.92579820142233 0.36300004663220 0.34818937407985 15.999 > 73 99 O 0.42579820142233 0.36300004663220 0.84818937407985 15.999 > 73 100 O 0.92579820142233 0.36300004663220 0.84818937407985 15.999 > 73 101 O 0.07420179857767 0.63699995336780 0.15181062592015 15.999 > 77 102 O 0.57420179857767 0.63699995336780 0.15181062592015 15.999 > 77 103 O 0.07420179857767 0.63699995336780 0.65181062592015 15.999 > 77 104 O 0.57420179857767 0.63699995336780 0.65181062592015 15.999 > 77 105 O 0.07420179857767 0.36300004663220 0.15181062592015 15.999 > 81 106 O 0.57420179857767 0.36300004663220 0.15181062592015 15.999 > 81 107 O 0.07420179857767 0.36300004663220 0.65181062592015 15.999 > 81 108 O 0.57420179857767 0.36300004663220 0.65181062592015 15.999 > 81 109 O 0.26814119355445 0.50000000000000 0.37993440298862 15.999 > 85 110 O 0.76814119355445 0.50000000000000 0.37993440298862 15.999 > 85 111 O 0.26814119355445 0.50000000000000 0.87993440298862 15.999 > 85 112 O 0.76814119355445 0.50000000000000 0.87993440298862 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3050443 0.0000000 0.0251646 0.0000000 3.2209362 0.0000000 0.0251652 0.0000000 3.1821341 -------------------------- Born effective charges -------------------------- 1 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 2 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 3 Rb 1.0834325 0.0000000 0.0765534 0.0000000 1.3440205 0.0000000 0.0369471 0.0000000 1.2601113 4 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 5 Rb 0.9598527 0.0000000 -0.0835767 0.0000000 1.5132119 0.0000000 -0.0446893 0.0000000 1.1579511 6 Rb 1.4862976 0.0000000 -0.0583723 0.0000000 0.9643018 0.0000000 -0.0564847 0.0000000 1.3293649 7 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 8 Sb 2.1917122 0.0000000 0.1132661 0.0000000 1.6521379 0.0000000 0.0216641 0.0000000 1.3344472 9 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 10 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 11 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 12 O -1.4685535 0.4213668 0.3097207 0.4211384 -2.0515487 -0.7029668 0.1292587 -0.3280533 -1.7687630 13 O -1.4685535 -0.4213668 0.3097207 -0.4211384 -2.0515487 0.7029668 0.1292587 0.3280533 -1.7687630 14 O -2.7841881 0.0000000 -0.6673119 0.0000000 -1.3705748 0.0000000 -0.2159546 0.0000000 -1.5443485 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.60, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 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 0.742 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 17.725 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.209 ( 0.000 0.000 0.000) 0.000 19.334 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( 12.719 -6.663 -0.233) 14.360 0.342 ( 15.339 -7.615 3.539) 17.487 0.654 ( 24.816 -21.926 0.352) 33.116 0.824 ( 2.235 -9.099 1.237) 9.451 1.479 ( 2.440 -0.231 -2.042) 3.190 1.658 ( -2.055 -0.334 4.956) 5.375 1.761 ( -5.750 -8.052 -0.483) 9.906 1.888 ( 5.723 0.993 -4.002) 7.054 1.943 ( 1.216 0.910 0.343) 1.557 2.052 ( -2.427 -1.480 -0.656) 2.918 2.146 ( -0.379 -1.627 -3.218) 3.626 2.371 ( -0.299 1.366 1.893) 2.353 2.474 ( -3.207 0.309 -3.595) 4.827 2.480 ( 0.512 4.165 4.419) 6.094 2.623 ( 0.545 -0.895 0.956) 1.418 2.653 ( -1.771 2.902 -0.495) 3.436 2.767 ( -0.722 0.365 -1.098) 1.364 2.876 ( 3.819 3.468 3.281) 6.114 3.058 ( -1.024 9.012 -0.326) 9.076 3.186 ( -0.337 0.180 0.722) 0.817 3.213 ( -0.242 -0.674 2.726) 2.818 3.339 ( -0.481 -0.337 -1.229) 1.362 3.379 ( 15.655 8.926 -9.887) 20.555 3.562 ( -7.780 0.309 -3.171) 8.407 3.739 ( -2.675 -1.783 -5.022) 5.963 3.868 ( 3.114 4.084 15.584) 16.408 4.382 ( -3.452 -7.199 3.411) 8.682 4.584 ( 1.449 2.357 -0.144) 2.770 4.843 ( -12.127 -6.418 -18.200) 22.792 5.182 ( 6.386 -4.875 -4.833) 9.376 7.620 ( 7.875 8.065 -6.036) 12.787 7.877 ( 0.599 -0.646 0.308) 0.934 8.044 ( -5.164 -2.734 0.537) 5.867 8.707 ( 1.518 2.981 1.400) 3.626 9.000 ( -11.241 -7.702 31.490) 34.312 9.636 ( -2.864 1.668 -1.043) 3.474 17.761 ( 2.173 -2.645 0.835) 3.524 17.988 ( 11.282 15.881 -2.255) 19.611 18.162 ( 9.410 4.375 -0.080) 10.378 19.189 ( -2.117 -10.888 -48.468) 49.721 19.400 ( -9.145 0.344 33.272) 34.508 19.801 ( 0.296 0.959 0.499) 1.121 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 10.673 -8.318 1.642) 13.631 0.663 ( 13.890 -6.933 2.598) 15.740 0.974 ( 2.015 -9.420 0.227) 9.636 1.257 ( 22.288 -17.856 0.208) 28.559 1.522 ( 3.509 0.457 -2.564) 4.370 1.649 ( -1.760 -0.113 3.670) 4.071 1.772 ( -3.321 -6.976 0.365) 7.734 1.836 ( -1.801 5.126 -1.135) 5.551 2.006 ( -0.394 -2.030 -1.148) 2.365 2.037 ( -1.764 -2.756 -1.154) 3.470 2.188 ( 4.588 -1.392 -3.872) 6.163 2.351 ( -0.543 2.759 2.096) 3.507 2.380 ( -1.977 4.126 -2.447) 5.188 2.467 ( 0.996 4.306 3.090) 5.393 2.553 ( -3.600 2.732 -1.184) 4.672 2.650 ( 1.485 -0.052 -0.579) 1.595 2.787 ( 2.315 0.267 0.441) 2.372 2.896 ( 3.991 3.888 2.201) 5.991 2.948 ( -1.425 5.227 -2.191) 5.844 3.150 ( -2.516 3.288 1.267) 4.330 3.232 ( -0.552 -1.674 2.137) 2.770 3.307 ( -2.642 0.227 -2.054) 3.354 3.436 ( -1.815 0.625 -5.439) 5.768 3.515 ( 3.991 -1.828 -0.041) 4.390 3.674 ( -2.700 2.007 -2.409) 4.138 3.893 ( 0.927 3.223 7.373) 8.100 4.423 ( -2.441 -5.827 2.585) 6.826 4.572 ( 2.068 4.659 -1.250) 5.248 4.696 ( -8.707 -3.122 -6.565) 11.343 5.312 ( 5.306 -2.827 -0.475) 6.031 7.641 ( 4.721 3.680 -2.046) 6.326 7.898 ( 0.608 -0.869 0.905) 1.394 7.985 ( -7.082 -3.863 0.381) 8.076 8.677 ( -1.711 1.329 -4.747) 5.218 9.019 ( 0.019 -0.202 17.903) 17.904 9.544 ( -4.804 2.735 -2.079) 5.906 17.842 ( 2.728 -3.674 1.300) 4.757 17.985 ( 4.240 5.035 -1.320) 6.713 18.286 ( 11.609 2.756 0.082) 11.932 19.120 ( -6.554 -3.622 -17.996) 19.492 19.341 ( -4.332 0.876 11.468) 12.291 19.790 ( -0.105 1.336 0.305) 1.374 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 7.165 -6.177 2.360) 9.749 0.933 ( 8.816 -6.150 1.871) 10.911 1.093 ( 3.778 -5.906 -1.659) 7.205 1.510 ( -3.062 4.312 -2.024) 5.662 1.617 ( -0.759 -0.715 -0.117) 1.049 1.677 ( 5.809 -0.309 0.993) 5.902 1.785 ( 5.497 -3.042 1.938) 6.575 1.867 ( 2.508 -11.924 0.087) 12.185 2.007 ( -0.869 -3.412 -1.809) 3.959 2.036 ( -0.389 0.408 -1.798) 1.884 2.231 ( 0.645 -0.667 -1.487) 1.752 2.266 ( -1.309 5.495 -0.149) 5.650 2.365 ( 0.982 0.904 0.097) 1.338 2.402 ( -3.360 2.719 2.072) 4.794 2.491 ( -2.529 4.214 2.027) 5.316 2.681 ( 3.478 0.213 -2.890) 4.527 2.793 ( -1.088 2.296 1.578) 2.991 2.921 ( 4.436 0.102 -4.047) 6.005 2.941 ( 3.097 0.103 1.716) 3.542 3.053 ( -2.279 4.058 0.298) 4.664 3.227 ( -2.691 -0.194 1.776) 3.230 3.282 ( -0.796 -1.054 0.371) 1.372 3.360 ( -3.374 3.474 -3.178) 5.792 3.568 ( -1.638 -3.015 0.008) 3.431 3.665 ( 4.097 -0.611 -2.368) 4.771 3.856 ( -2.322 3.606 4.364) 6.119 4.445 ( -2.682 -4.156 1.148) 5.077 4.531 ( -0.398 2.740 -2.353) 3.634 4.629 ( -1.774 -0.204 -0.707) 1.921 5.403 ( 3.005 -1.463 0.468) 3.375 7.668 ( 3.217 2.055 -0.630) 3.869 7.909 ( -2.393 -1.388 1.923) 3.369 7.933 ( -2.645 -2.214 -0.896) 3.564 8.616 ( -2.141 1.232 -3.198) 4.041 9.092 ( 3.682 -0.234 9.605) 10.289 9.426 ( -4.994 2.629 -2.825) 6.311 17.920 ( 1.659 -2.862 1.121) 3.493 17.992 ( 2.102 2.193 -0.862) 3.158 18.448 ( 10.877 0.711 0.361) 10.906 18.984 ( -8.877 -0.284 -5.549) 10.472 19.312 ( -1.159 0.192 2.622) 2.873 19.772 ( -0.384 0.945 -0.013) 1.020 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 -0.000 -0.000) 0.000 1.022 ( 0.000 -0.000 0.000) 0.000 1.254 ( 0.000 -0.000 0.000) 0.000 1.352 ( 0.000 -0.000 -0.000) 0.000 1.623 ( 0.000 -0.000 -0.000) 0.000 1.683 ( 0.000 -0.000 0.000) 0.000 1.871 ( 0.000 -0.000 0.000) 0.000 1.960 ( 0.000 -0.000 0.000) 0.000 2.015 ( 0.000 -0.000 0.000) 0.000 2.103 ( 0.000 -0.000 0.000) 0.000 2.217 ( 0.000 -0.000 0.000) 0.000 2.275 ( -0.000 0.000 -0.000) 0.000 2.331 ( 0.000 -0.000 -0.000) 0.000 2.368 ( 0.000 -0.000 0.000) 0.000 2.400 ( 0.000 -0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 -0.000) 0.000 2.740 ( -0.000 -0.000 0.000) 0.000 2.933 ( 0.000 -0.000 -0.000) 0.000 2.988 ( 0.000 -0.000 0.000) 0.000 3.065 ( 0.000 -0.000 0.000) 0.000 3.171 ( 0.000 -0.000 -0.000) 0.000 3.287 ( -0.000 -0.000 0.000) 0.000 3.294 ( 0.000 0.000 -0.000) 0.000 3.572 ( 0.000 -0.000 0.000) 0.000 3.726 ( 0.000 -0.000 0.000) 0.000 3.797 ( 0.000 -0.000 -0.000) 0.000 4.447 ( 0.000 -0.000 0.000) 0.000 4.508 ( 0.000 -0.000 -0.000) 0.000 4.617 ( 0.000 -0.000 0.000) 0.000 5.436 ( 0.000 -0.000 0.000) 0.000 7.682 ( 0.000 -0.000 0.000) 0.000 7.890 ( 0.000 -0.000 -0.000) 0.000 7.933 ( 0.000 -0.000 0.000) 0.000 8.586 ( 0.000 -0.000 -0.000) 0.000 9.150 ( 0.000 -0.000 0.000) 0.000 9.353 ( 0.000 -0.000 -0.000) 0.000 17.954 ( 0.000 -0.000 0.000) 0.000 17.993 ( 0.000 -0.000 0.000) 0.000 18.553 ( 0.000 -0.000 -0.000) 0.000 18.884 ( 0.000 -0.000 -0.000) 0.000 19.307 ( 0.000 -0.000 0.000) 0.000 19.762 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 16.321 0.000 0.323) 16.324 0.568 ( 15.810 0.000 -3.656) 16.227 0.863 ( 8.422 0.000 3.776) 9.230 0.960 ( 28.169 0.000 3.106) 28.339 1.508 ( 2.175 0.000 -1.014) 2.400 1.661 ( 0.830 0.000 4.936) 5.005 1.668 ( -1.406 -0.000 -1.885) 2.352 1.920 ( -3.207 -0.000 0.911) 3.334 1.977 ( -2.318 -0.000 -1.096) 2.564 2.000 ( 0.397 0.000 -1.737) 1.782 2.159 ( 6.177 0.000 -6.600) 9.040 2.373 ( -1.222 -0.000 3.189) 3.415 2.456 ( -0.004 -0.000 -6.014) 6.014 2.497 ( -0.348 -0.000 0.866) 0.933 2.606 ( -5.547 -0.000 -2.518) 6.092 2.650 ( 1.832 0.000 3.185) 3.674 2.781 ( 2.292 0.000 1.581) 2.784 2.966 ( 3.707 0.000 0.096) 3.709 3.011 ( -7.369 -0.000 0.994) 7.436 3.176 ( -3.003 -0.000 3.880) 4.906 3.196 ( 1.043 0.000 1.165) 1.564 3.327 ( -0.520 -0.000 -1.195) 1.304 3.425 ( -6.099 -0.000 -3.310) 6.940 3.622 ( -2.792 -0.000 -7.696) 8.187 3.644 ( 4.253 0.000 -2.174) 4.776 3.943 ( -0.726 -0.000 11.179) 11.202 4.295 ( -0.509 -0.000 -0.118) 0.523 4.640 ( 3.225 0.000 0.374) 3.246 4.651 ( -6.607 -0.000 -9.536) 11.601 5.269 ( 6.981 0.000 0.293) 6.988 7.718 ( 3.355 0.000 -7.466) 8.186 7.877 ( 0.338 0.000 1.151) 1.199 7.938 ( -6.204 -0.000 0.206) 6.208 8.715 ( -2.816 -0.000 -1.621) 3.249 8.967 ( 0.290 0.000 25.943) 25.944 9.583 ( -4.898 -0.000 -1.952) 5.273 17.797 ( 3.611 0.000 1.664) 3.976 18.058 ( -1.139 -0.000 -1.106) 1.588 18.373 ( 8.091 0.000 1.351) 8.203 19.030 ( 0.685 0.000 -29.623) 29.631 19.352 ( -5.664 -0.000 15.690) 16.681 19.807 ( -0.382 -0.000 0.194) 0.428 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 12.379 2.245 -0.392) 12.587 0.844 ( 13.981 -6.028 0.624) 15.238 1.030 ( 12.113 2.699 2.619) 12.683 1.446 ( 22.212 -10.974 0.581) 24.782 1.538 ( -1.755 -3.831 1.936) 4.637 1.629 ( 0.360 4.104 -2.822) 4.994 1.718 ( 2.327 -2.534 1.512) 3.758 1.832 ( -5.150 3.697 0.347) 6.349 1.935 ( -2.904 -3.797 -2.186) 5.256 2.003 ( -0.150 -1.117 -0.286) 1.163 2.227 ( 1.671 -0.187 -5.678) 5.922 2.353 ( -2.327 0.230 3.230) 3.988 2.407 ( 0.492 4.157 -5.186) 6.665 2.481 ( -7.122 1.920 -2.094) 7.668 2.542 ( 3.285 -0.017 1.948) 3.819 2.678 ( 1.369 0.790 0.897) 1.817 2.827 ( 1.221 -0.012 2.805) 3.059 2.896 ( -5.614 -0.908 0.887) 5.756 2.985 ( 1.383 2.553 -2.238) 3.666 3.138 ( -3.122 1.019 3.398) 4.726 3.215 ( -0.905 -0.632 1.588) 1.933 3.280 ( -1.672 2.537 -0.481) 3.077 3.386 ( -0.452 -2.887 -0.127) 2.925 3.535 ( -2.889 1.761 -5.835) 6.745 3.693 ( 3.299 1.472 -2.473) 4.378 3.922 ( -3.311 1.731 6.227) 7.262 4.315 ( -1.584 -4.850 -0.133) 5.104 4.547 ( -3.925 -0.082 -5.156) 6.481 4.686 ( 4.037 2.363 0.376) 4.693 5.367 ( 3.665 -1.272 3.664) 5.336 7.730 ( 1.754 2.651 -3.717) 4.891 7.872 ( -1.929 -0.977 0.510) 2.222 7.896 ( 0.239 -1.478 1.001) 1.801 8.651 ( -2.915 1.593 -2.477) 4.144 9.048 ( 0.750 -2.611 13.549) 13.818 9.481 ( -5.775 1.635 -2.471) 6.491 17.865 ( 2.905 -1.377 1.921) 3.745 18.037 ( 0.027 1.095 -1.133) 1.576 18.499 ( 10.258 2.651 0.765) 10.623 18.946 ( -6.817 -2.114 -12.163) 14.103 19.317 ( -1.959 0.167 4.930) 5.307 19.791 ( -1.064 0.542 -0.474) 1.285 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 7.787 0.022 2.011) 8.043 1.109 ( 13.012 0.521 2.061) 13.185 1.171 ( 11.017 1.868 -0.729) 11.198 1.485 ( -8.023 3.861 0.980) 8.957 1.582 ( 0.025 -0.046 -0.660) 0.662 1.684 ( -3.939 0.951 -2.405) 4.712 1.801 ( 3.284 -2.925 0.021) 4.398 1.859 ( 5.961 -7.882 1.850) 10.054 1.970 ( 1.403 -5.210 -2.745) 6.054 2.054 ( 7.017 -2.894 -0.384) 7.600 2.194 ( -2.638 -0.591 -4.080) 4.894 2.303 ( -2.781 2.670 1.685) 4.207 2.344 ( -6.290 0.184 0.018) 6.293 2.384 ( 1.020 1.467 -2.768) 3.295 2.538 ( -0.767 7.680 3.514) 8.480 2.679 ( -1.586 -2.426 -1.823) 3.424 2.752 ( -5.798 0.813 0.221) 5.859 2.937 ( -1.751 -1.690 0.401) 2.466 2.985 ( 4.287 -1.226 -0.130) 4.461 3.076 ( -1.160 2.787 2.245) 3.762 3.185 ( -2.839 0.503 1.081) 3.079 3.248 ( -2.248 -0.321 2.552) 3.416 3.381 ( 0.200 3.904 -4.274) 5.792 3.516 ( 0.919 -4.104 -0.180) 4.209 3.722 ( 3.072 0.952 -2.731) 4.219 3.846 ( -4.538 2.304 3.796) 6.349 4.347 ( -1.498 -5.312 -0.288) 5.527 4.508 ( -0.368 -0.438 -3.696) 3.740 4.710 ( 4.552 5.127 0.431) 6.870 5.425 ( 0.677 -0.907 4.512) 4.652 7.692 ( -2.514 0.824 -1.133) 2.878 7.896 ( 2.690 0.198 -0.288) 2.713 7.927 ( 2.933 -0.222 0.918) 3.081 8.591 ( -1.819 0.604 -2.098) 2.841 9.107 ( -1.409 -3.200 4.510) 5.707 9.376 ( -3.559 1.551 -0.917) 3.989 17.915 ( 0.400 -1.678 1.540) 2.312 18.026 ( 0.320 1.139 -0.948) 1.516 18.598 ( 3.634 3.715 -1.434) 5.391 18.846 ( -3.487 -3.197 -2.333) 5.275 19.309 ( -0.048 0.162 0.663) 0.684 19.767 ( -0.934 0.326 -0.719) 1.223 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.082 5.968 1.137) 6.812 1.163 ( 2.086 11.763 -0.446) 11.955 1.264 ( -2.059 9.345 0.810) 9.604 1.399 ( 8.873 -5.117 0.563) 10.258 1.577 ( -3.292 -3.184 1.271) 4.753 1.636 ( -2.521 -1.957 -2.430) 4.011 1.839 ( -3.578 0.731 -1.989) 4.158 1.938 ( 1.038 -4.888 3.291) 5.983 1.992 ( -0.741 -0.818 -1.075) 1.541 2.136 ( 0.202 1.641 -5.411) 5.658 2.215 ( -3.643 -0.411 1.150) 3.842 2.293 ( 0.124 -0.738 2.094) 2.224 2.328 ( 5.826 -6.063 -1.627) 8.564 2.382 ( -2.608 7.551 1.488) 8.126 2.401 ( 1.792 1.797 -1.450) 2.923 2.644 ( -5.407 -2.141 1.383) 5.978 2.717 ( -2.057 -4.672 -1.356) 5.282 2.915 ( -1.602 -0.904 0.053) 1.840 2.965 ( -5.618 3.246 -0.266) 6.493 3.025 ( -4.361 0.681 3.248) 5.480 3.218 ( 4.805 -1.127 -1.609) 5.191 3.246 ( 0.409 -2.734 4.751) 5.497 3.353 ( 2.588 2.023 -2.617) 4.200 3.582 ( 2.004 -1.812 0.436) 2.737 3.722 ( -2.322 2.555 -0.282) 3.464 3.790 ( 0.061 -1.090 -0.701) 1.297 4.393 ( -0.814 -5.721 0.092) 5.779 4.507 ( 0.608 0.041 -3.649) 3.700 4.727 ( 6.600 6.402 1.276) 9.283 5.429 ( -1.747 0.736 3.777) 4.225 7.642 ( -3.254 -0.344 -0.443) 3.302 7.915 ( -0.100 -0.418 0.081) 0.437 8.005 ( 8.390 3.365 -0.276) 9.044 8.584 ( 0.715 -1.638 0.378) 1.827 9.068 ( -6.861 -1.844 -4.728) 8.534 9.372 ( 2.325 -1.922 2.689) 4.041 17.919 ( -2.734 -1.713 1.114) 3.413 18.008 ( -0.068 2.146 -0.732) 2.269 18.477 ( -9.919 3.120 -2.300) 10.650 18.948 ( 8.539 -3.194 2.073) 9.349 19.311 ( 0.599 0.133 -0.769) 0.984 19.755 ( -0.412 -0.426 -0.661) 0.887 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.165 13.724 -1.743) 13.835 0.910 ( -9.063 13.969 -1.514) 16.720 1.210 ( 4.022 10.523 1.411) 11.353 1.509 ( -1.587 -0.159 2.044) 2.592 1.552 ( -10.405 4.027 -1.294) 11.232 1.619 ( 2.678 -3.443 0.160) 4.364 1.733 ( -2.000 -0.117 -0.751) 2.139 1.951 ( -1.262 5.269 0.068) 5.419 2.035 ( 2.596 -2.962 0.669) 3.995 2.107 ( 2.548 2.812 -0.561) 3.836 2.212 ( -2.281 4.214 0.630) 4.833 2.232 ( 0.198 -3.523 0.908) 3.643 2.308 ( -2.679 -3.281 -2.407) 4.872 2.396 ( -0.775 -1.603 0.655) 1.897 2.498 ( 3.846 -2.552 -2.303) 5.159 2.620 ( -1.840 -2.646 2.573) 4.124 2.741 ( -1.531 -4.835 -0.947) 5.160 2.822 ( -8.280 -1.141 1.139) 8.436 2.870 ( -4.436 -0.257 1.137) 4.586 3.059 ( 4.515 -3.604 0.534) 5.802 3.260 ( 1.036 -0.002 0.778) 1.296 3.300 ( 1.823 -0.646 0.462) 1.989 3.415 ( 4.710 -0.813 1.842) 5.122 3.613 ( -1.798 4.190 -1.176) 4.709 3.635 ( -0.296 -0.620 1.678) 1.813 3.816 ( -0.734 -3.064 -3.654) 4.825 4.442 ( -2.281 -5.923 0.086) 6.348 4.498 ( 1.025 1.267 -3.667) 4.013 4.796 ( 10.203 5.271 3.606) 12.037 5.377 ( -3.228 2.765 2.558) 4.961 7.594 ( -3.624 -0.687 -0.290) 3.700 7.908 ( -0.923 0.081 -0.254) 0.961 8.094 ( 9.191 5.155 -0.766) 10.566 8.647 ( 2.677 -2.286 5.166) 6.251 8.959 ( -6.754 -3.504 -10.864) 13.263 9.468 ( 3.893 -3.959 2.174) 5.963 17.875 ( -6.026 -2.043 1.181) 6.471 17.966 ( -0.791 4.181 -0.691) 4.311 18.277 ( -10.423 1.505 -1.453) 10.631 19.134 ( 9.103 -2.227 5.958) 11.105 19.323 ( 1.562 -0.429 -3.651) 3.994 19.758 ( -0.315 -1.202 -0.682) 1.418 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -7.844 14.487 -1.301) 16.526 0.641 ( 0.788 18.917 -3.115) 19.188 1.113 ( 1.038 13.902 -0.574) 13.952 1.188 ( -13.820 20.349 1.403) 24.638 1.474 ( -2.773 -0.301 2.350) 3.647 1.669 ( 2.164 0.284 -3.024) 3.729 1.784 ( 1.223 -4.184 1.652) 4.662 1.879 ( -1.524 2.401 -0.971) 3.005 2.032 ( -1.323 5.545 0.991) 5.786 2.121 ( 3.330 4.644 0.598) 5.746 2.163 ( -0.392 -1.191 1.656) 2.077 2.302 ( -0.520 -4.940 -1.048) 5.077 2.342 ( 0.887 -6.048 -0.887) 6.176 2.406 ( -0.995 -5.241 1.081) 5.443 2.577 ( 4.319 -2.068 -1.994) 5.187 2.628 ( -1.230 -1.550 0.527) 2.048 2.751 ( -2.507 -1.639 0.782) 3.096 2.777 ( -1.812 -4.876 -1.517) 5.419 2.840 ( -4.966 -5.922 2.451) 8.108 3.165 ( 4.125 -1.006 -0.771) 4.315 3.254 ( -0.439 1.735 0.028) 1.789 3.338 ( 0.298 -0.347 2.589) 2.629 3.436 ( -3.281 4.333 2.464) 5.968 3.553 ( 4.393 -0.110 1.172) 4.548 3.694 ( 2.508 -2.950 -0.398) 3.892 3.797 ( -4.285 -2.141 -5.081) 6.983 4.432 ( -2.860 -1.453 -1.797) 3.677 4.521 ( 1.239 -1.997 -1.084) 2.588 4.934 ( 11.090 2.661 5.795) 12.793 5.290 ( -2.993 4.378 1.828) 5.610 7.539 ( -4.383 -0.521 -0.196) 4.419 7.888 ( -1.012 0.415 -0.348) 1.148 8.154 ( 6.481 6.165 -0.800) 8.981 8.693 ( -1.302 0.339 6.450) 6.589 8.945 ( 1.484 -8.455 -12.868) 15.469 9.575 ( 3.110 -3.909 0.956) 5.086 17.783 ( -9.823 -2.694 1.397) 10.281 17.880 ( -1.617 6.557 -0.907) 6.814 18.143 ( -4.969 -0.028 -0.530) 4.998 19.285 ( 3.515 0.351 18.379) 18.716 19.364 ( 5.524 -2.666 -15.289) 16.473 19.767 ( -0.406 -1.635 -0.545) 1.771 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -0.000 16.126 -0.000) 16.126 0.432 ( -0.000 19.366 -0.000) 19.366 0.744 ( -0.000 30.188 -0.000) 30.188 0.957 ( -0.000 14.902 -0.000) 14.902 1.457 ( 0.000 -0.300 0.000) 0.300 1.683 ( -0.000 0.362 -0.000) 0.362 1.794 ( -0.000 0.852 -0.000) 0.852 1.888 ( 0.000 -5.141 0.000) 5.141 1.965 ( -0.000 5.047 -0.000) 5.047 2.104 ( -0.000 3.475 -0.000) 3.475 2.173 ( -0.000 0.764 -0.000) 0.764 2.339 ( 0.000 -3.265 0.000) 3.265 2.404 ( 0.000 -5.374 0.000) 5.374 2.506 ( 0.000 -8.048 0.000) 8.048 2.626 ( -0.000 0.127 -0.000) 0.127 2.650 ( 0.000 -2.526 0.000) 2.526 2.774 ( 0.000 -2.149 0.000) 2.149 2.797 ( 0.000 -2.432 0.000) 2.432 2.834 ( 0.000 -5.518 0.000) 5.518 3.191 ( -0.000 2.569 -0.000) 2.569 3.215 ( -0.000 2.172 -0.000) 2.172 3.290 ( -0.000 4.173 -0.000) 4.173 3.373 ( -0.000 2.976 -0.000) 2.976 3.682 ( 0.000 -4.632 0.000) 4.632 3.716 ( -0.000 0.940 -0.000) 0.940 3.756 ( 0.000 -3.798 0.000) 3.798 4.415 ( 0.000 -0.433 0.000) 0.433 4.555 ( 0.000 -2.275 0.000) 2.275 5.049 ( 0.000 -0.627 0.000) 0.627 5.218 ( -0.000 3.857 -0.000) 3.857 7.484 ( -0.000 0.941 -0.000) 0.941 7.873 ( -0.000 0.425 -0.000) 0.425 8.137 ( -0.000 5.462 -0.000) 5.462 8.676 ( -0.000 0.362 -0.000) 0.362 9.072 ( 0.000 -9.235 0.000) 9.235 9.643 ( 0.000 -2.638 0.000) 2.638 17.679 ( -0.000 0.497 -0.000) 0.497 17.791 ( -0.000 5.565 -0.000) 5.565 18.109 ( 0.000 -0.061 0.000) 0.061 19.332 ( 0.000 -0.144 0.000) 0.144 19.442 ( 0.000 -2.765 0.000) 2.765 19.782 ( 0.000 -1.578 0.000) 1.578 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 8.368 0.000 1.366) 8.479 1.010 ( 14.602 0.000 0.451) 14.609 1.310 ( 15.801 0.000 2.386) 15.980 1.456 ( -5.558 -0.000 3.675) 6.663 1.662 ( 10.804 0.000 -1.943) 10.978 1.683 ( 0.682 0.000 -3.638) 3.702 1.741 ( 2.599 0.000 2.024) 3.294 1.799 ( -1.821 -0.000 -2.873) 3.402 1.841 ( -1.489 -0.000 -2.070) 2.550 2.023 ( 4.580 0.000 1.777) 4.913 2.199 ( -2.388 -0.000 -6.898) 7.299 2.306 ( -4.577 -0.000 2.808) 5.369 2.355 ( -8.557 -0.000 -2.072) 8.804 2.424 ( -0.377 -0.000 -4.379) 4.395 2.586 ( 0.323 0.000 0.430) 0.537 2.709 ( 0.072 0.000 1.247) 1.249 2.776 ( -6.202 -0.000 1.087) 6.297 2.871 ( 2.487 0.000 5.448) 5.989 2.976 ( -2.405 -0.000 -3.049) 3.883 3.113 ( -2.166 -0.000 4.625) 5.107 3.191 ( -1.590 -0.000 0.412) 1.642 3.268 ( -3.312 -0.000 0.782) 3.403 3.407 ( 4.614 0.000 0.149) 4.617 3.471 ( -3.123 -0.000 -4.960) 5.861 3.743 ( 2.391 0.000 -2.835) 3.708 3.873 ( -5.307 -0.000 4.287) 6.822 4.276 ( -0.389 -0.000 -0.257) 0.466 4.500 ( -0.390 -0.000 -4.571) 4.588 4.778 ( 5.592 0.000 0.199) 5.595 5.409 ( 1.004 0.000 6.525) 6.602 7.707 ( -3.625 -0.000 -2.514) 4.412 7.894 ( 0.145 0.000 1.837) 1.843 7.928 ( 7.817 0.000 -0.942) 7.873 8.604 ( -3.329 -0.000 -2.423) 4.117 9.056 ( -1.398 -0.000 6.744) 6.887 9.398 ( -4.903 -0.000 -1.295) 5.072 17.895 ( 0.980 0.000 1.824) 2.071 18.036 ( -0.054 -0.000 -1.192) 1.194 18.676 ( 10.317 0.000 1.437) 10.416 18.776 ( -10.175 -0.000 -6.653) 12.158 19.311 ( -0.043 -0.000 0.862) 0.864 19.772 ( -1.324 -0.000 -0.978) 1.646 ======================= Grid point 20 (14/129) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 7.851 2.267 3.668) 8.957 1.257 ( 12.108 -4.550 0.601) 12.948 1.363 ( -6.388 0.649 1.595) 6.616 1.471 ( 7.473 7.830 3.576) 11.399 1.607 ( -3.505 6.579 -3.557) 8.260 1.643 ( -0.086 4.003 -2.196) 4.567 1.825 ( 0.605 -5.612 1.281) 5.788 1.833 ( 3.296 -1.145 -1.700) 3.881 1.896 ( 0.297 -6.969 -5.230) 8.718 2.132 ( -1.413 -1.088 -3.617) 4.033 2.174 ( 5.392 -0.919 -0.068) 5.470 2.224 ( -5.033 -0.887 -1.304) 5.275 2.247 ( -3.149 -2.474 0.780) 4.080 2.401 ( -0.534 0.456 -1.234) 1.420 2.560 ( -4.904 -2.298 0.889) 5.488 2.651 ( -4.610 -0.180 -0.361) 4.627 2.693 ( -0.381 9.045 1.114) 9.121 2.889 ( -1.415 -0.723 -0.993) 1.873 2.993 ( -1.131 -3.365 5.692) 6.708 3.063 ( -5.180 3.331 2.217) 6.545 3.180 ( 2.282 -1.691 -1.988) 3.467 3.218 ( -2.512 0.077 3.408) 4.234 3.396 ( -0.334 1.221 -3.795) 4.000 3.516 ( 3.311 -2.549 0.707) 4.238 3.756 ( 1.029 0.867 -2.906) 3.203 3.800 ( -4.199 0.638 2.820) 5.098 4.287 ( -0.303 -2.731 -0.183) 2.754 4.502 ( 1.380 -0.288 -4.715) 4.921 4.854 ( 6.717 3.545 0.297) 7.601 5.434 ( -0.385 -0.184 6.969) 6.982 7.645 ( -3.136 0.336 -1.435) 3.465 7.902 ( -0.143 -0.469 1.653) 1.724 8.066 ( 10.773 1.613 -1.405) 10.983 8.552 ( -2.499 -0.894 -2.155) 3.419 9.023 ( -5.717 -1.522 0.061) 5.917 9.346 ( -1.262 -0.386 1.407) 1.929 17.895 ( -1.954 -0.402 1.262) 2.361 18.033 ( 0.106 0.209 -0.993) 1.020 18.569 ( -10.448 3.689 -3.469) 11.610 18.861 ( 9.051 -3.414 1.292) 9.759 19.316 ( 0.523 0.144 -0.349) 0.645 19.751 ( -0.910 -0.031 -1.061) 1.398 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.658 6.881 5.300) 9.083 1.207 ( -5.025 8.550 -1.343) 10.008 1.426 ( 1.264 6.402 0.187) 6.529 1.467 ( 3.497 -5.220 -2.225) 6.666 1.523 ( -0.180 2.650 0.814) 2.778 1.597 ( 0.369 2.519 -2.041) 3.263 1.798 ( -1.980 4.223 -0.532) 4.694 1.930 ( 3.978 -4.334 1.598) 6.096 1.965 ( 1.223 -4.347 -2.083) 4.973 2.084 ( -4.968 -0.669 -3.006) 5.845 2.141 ( -1.244 -3.298 -1.462) 3.816 2.216 ( -3.398 -4.732 -0.568) 5.854 2.358 ( 1.403 -2.305 0.727) 2.794 2.420 ( 4.511 -0.831 -0.298) 4.597 2.494 ( -4.732 2.820 3.106) 6.324 2.572 ( -1.182 5.258 -0.911) 5.466 2.620 ( -1.529 -2.870 -0.965) 3.391 2.881 ( -10.077 4.234 2.703) 11.260 2.885 ( -1.939 1.674 -0.518) 2.613 2.995 ( 0.723 -2.591 0.770) 2.798 3.218 ( -0.068 -2.062 3.919) 4.428 3.283 ( 3.997 -2.246 -1.517) 4.830 3.404 ( 3.109 -0.408 -0.164) 3.140 3.579 ( 0.767 -2.858 0.186) 2.965 3.709 ( -3.521 2.850 0.426) 4.550 3.775 ( -0.180 -0.642 -1.512) 1.652 4.321 ( -0.673 -4.148 -0.120) 4.204 4.511 ( 0.912 0.089 -4.274) 4.371 4.918 ( 7.909 4.826 1.076) 9.327 5.431 ( -1.017 1.731 5.265) 5.635 7.595 ( -2.493 0.438 -0.881) 2.680 7.905 ( -0.579 -0.278 1.009) 1.196 8.201 ( 10.716 3.916 -1.425) 11.498 8.559 ( 0.231 -4.609 -0.536) 4.646 8.914 ( -8.576 -0.611 -3.500) 9.282 9.378 ( 1.487 -3.331 2.084) 4.201 17.850 ( -4.662 -0.213 0.820) 4.738 18.030 ( 0.536 0.895 -0.459) 1.139 18.353 ( -9.864 4.527 -2.391) 11.113 19.047 ( 8.377 -4.430 1.763) 9.639 19.322 ( 0.655 0.161 -0.619) 0.915 19.740 ( -0.589 -0.435 -0.999) 1.239 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -5.733 12.296 1.894) 13.698 1.062 ( 2.347 16.160 -2.945) 16.593 1.364 ( 0.657 6.779 -0.119) 6.812 1.441 ( -3.662 0.889 -3.262) 4.984 1.491 ( -4.956 2.068 4.530) 7.025 1.644 ( 3.395 -1.633 0.169) 3.772 1.762 ( 4.080 3.476 -0.916) 5.437 1.949 ( -4.185 2.171 0.404) 4.732 2.045 ( 3.293 -4.222 0.121) 5.356 2.094 ( 2.260 -4.877 -2.499) 5.928 2.187 ( 0.372 -6.354 -1.137) 6.465 2.199 ( -3.463 -1.076 1.098) 3.789 2.340 ( -0.125 9.045 -0.999) 9.101 2.346 ( -3.075 3.249 3.032) 5.404 2.501 ( 0.113 -5.264 -1.740) 5.545 2.590 ( 0.653 -2.914 2.238) 3.731 2.631 ( -2.351 -3.545 -1.309) 4.451 2.726 ( -3.310 -0.245 0.224) 3.327 2.803 ( -4.796 1.183 0.507) 4.965 3.114 ( 6.604 -3.936 1.343) 7.805 3.262 ( 0.436 -1.990 2.929) 3.568 3.310 ( -0.135 -0.386 -2.244) 2.281 3.476 ( 3.160 0.122 0.955) 3.304 3.600 ( -3.395 0.605 1.143) 3.633 3.633 ( 0.620 -0.794 -1.149) 1.528 3.768 ( -1.307 -0.398 -1.657) 2.148 4.353 ( -1.310 -4.067 -0.308) 4.284 4.509 ( 0.465 0.150 -2.528) 2.575 4.997 ( 7.022 2.995 1.912) 7.870 5.390 ( -1.129 4.153 2.523) 4.989 7.549 ( -2.059 0.981 -0.545) 2.345 7.896 ( -0.713 0.247 0.256) 0.797 8.294 ( 7.980 5.477 -0.790) 9.710 8.653 ( 1.881 -6.452 4.672) 8.185 8.781 ( -7.188 -2.106 -7.613) 10.680 9.462 ( 1.757 -5.450 1.100) 5.831 17.766 ( -5.498 0.598 0.595) 5.563 18.025 ( 1.890 3.788 0.186) 4.238 18.163 ( -7.117 3.290 -1.692) 8.021 19.222 ( 5.636 -5.310 3.276) 8.408 19.329 ( 0.709 -0.177 -2.100) 2.223 19.737 ( -0.437 -0.909 -0.712) 1.234 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.000 14.955 -0.000) 14.955 0.874 ( -0.000 18.662 -0.000) 18.662 1.275 ( -0.000 10.660 -0.000) 10.660 1.297 ( -0.000 15.623 -0.000) 15.623 1.448 ( 0.000 -0.327 0.000) 0.327 1.683 ( 0.000 -0.898 0.000) 0.898 1.801 ( 0.000 -0.635 0.000) 0.635 1.856 ( -0.000 3.818 -0.000) 3.818 2.088 ( -0.000 5.668 -0.000) 5.668 2.129 ( 0.000 -4.573 0.000) 4.573 2.223 ( 0.000 -7.005 0.000) 7.005 2.230 ( -0.000 8.158 -0.000) 8.158 2.292 ( 0.000 -9.413 0.000) 9.413 2.319 ( 0.000 -1.186 0.000) 1.186 2.559 ( 0.000 -5.997 0.000) 5.997 2.597 ( 0.000 -1.163 0.000) 1.163 2.690 ( 0.000 -6.101 0.000) 6.101 2.743 ( 0.000 -0.140 0.000) 0.140 2.747 ( 0.000 -2.618 0.000) 2.618 3.227 ( 0.000 -2.077 0.000) 2.077 3.248 ( -0.000 2.639 -0.000) 2.639 3.327 ( 0.000 -2.362 0.000) 2.362 3.459 ( -0.000 3.928 -0.000) 3.928 3.579 ( 0.000 -1.404 0.000) 1.404 3.680 ( 0.000 -3.674 0.000) 3.674 3.741 ( -0.000 1.087 -0.000) 1.087 4.378 ( 0.000 -2.917 0.000) 2.917 4.514 ( 0.000 -0.831 0.000) 0.831 5.046 ( -0.000 0.631 -0.000) 0.631 5.326 ( -0.000 5.193 -0.000) 5.193 7.513 ( -0.000 1.536 -0.000) 1.536 7.884 ( -0.000 0.525 -0.000) 0.525 8.289 ( -0.000 7.031 -0.000) 7.031 8.688 ( -0.000 0.634 -0.000) 0.634 8.816 ( 0.000 -11.989 0.000) 11.989 9.545 ( 0.000 -5.644 0.000) 5.644 17.700 ( -0.000 1.408 -0.000) 1.408 17.962 ( -0.000 8.837 -0.000) 8.837 18.097 ( 0.000 -1.127 0.000) 1.127 19.330 ( -0.000 0.014 -0.000) 0.014 19.344 ( 0.000 -5.708 0.000) 5.708 19.745 ( 0.000 -1.351 0.000) 1.351 ======================= Grid point 28 (18/129) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 3.668 0.000 6.027) 7.056 1.270 ( -4.355 -0.000 2.412) 4.978 1.400 ( 8.377 0.000 -0.172) 8.378 1.476 ( -5.356 -0.000 -1.098) 5.468 1.603 ( -3.330 -0.000 -2.685) 4.278 1.748 ( -4.029 -0.000 -1.561) 4.321 1.841 ( 6.450 0.000 -7.734) 10.071 1.855 ( 9.436 0.000 3.673) 10.125 1.865 ( 1.842 0.000 -2.279) 2.930 2.083 ( -6.814 -0.000 -0.372) 6.824 2.101 ( -0.853 -0.000 -2.400) 2.548 2.132 ( -5.656 -0.000 -0.627) 5.690 2.333 ( 6.912 0.000 0.689) 6.947 2.372 ( -2.656 -0.000 0.535) 2.710 2.478 ( -2.431 -0.000 -0.422) 2.468 2.567 ( -4.095 -0.000 -0.465) 4.121 2.782 ( 1.540 0.000 0.320) 1.573 2.881 ( 1.674 0.000 -1.353) 2.153 2.905 ( -8.614 -0.000 6.169) 10.596 3.013 ( -5.942 -0.000 0.415) 5.957 3.202 ( -0.813 -0.000 4.362) 4.437 3.205 ( 5.042 0.000 -1.725) 5.329 3.398 ( 0.694 0.000 -1.462) 1.618 3.542 ( 1.495 0.000 0.142) 1.502 3.745 ( -4.040 -0.000 2.027) 4.520 3.767 ( 0.557 0.000 -2.532) 2.592 4.271 ( 0.052 0.000 -0.078) 0.093 4.510 ( 1.201 0.000 -4.377) 4.539 4.981 ( 6.596 0.000 0.111) 6.597 5.451 ( 0.234 0.000 6.608) 6.613 7.602 ( -2.185 -0.000 -1.193) 2.490 7.900 ( -0.301 -0.000 1.610) 1.638 8.254 ( 12.076 0.000 -2.454) 12.323 8.493 ( -2.832 -0.000 -2.057) 3.500 8.909 ( -7.587 -0.000 -0.738) 7.623 9.337 ( 0.036 0.000 1.737) 1.738 17.851 ( -3.687 -0.000 0.741) 3.760 18.032 ( 0.036 0.000 -0.876) 0.877 18.421 ( -9.325 -0.000 -2.238) 9.589 18.984 ( 8.050 0.000 1.092) 8.123 19.324 ( 0.561 0.000 -0.294) 0.633 19.735 ( -0.698 -0.000 -1.088) 1.293 ======================= Grid point 29 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.235 3.085 4.171) 7.370 1.285 ( 3.439 3.058 2.773) 5.373 1.406 ( -1.475 -1.160 -5.036) 5.375 1.440 ( -3.260 -0.145 -1.152) 3.460 1.568 ( 0.687 5.180 -0.191) 5.229 1.661 ( 1.073 3.927 -0.308) 4.082 1.861 ( 1.299 1.957 -2.751) 3.618 1.911 ( 0.485 -4.617 -0.636) 4.686 1.990 ( -1.740 0.395 0.704) 1.918 2.004 ( 1.452 -1.012 2.311) 2.912 2.100 ( 0.018 -1.499 -1.830) 2.366 2.134 ( 3.495 -4.628 -2.815) 6.446 2.323 ( -3.634 -0.690 1.911) 4.163 2.387 ( -3.955 -3.491 2.183) 5.709 2.497 ( 4.794 0.416 -2.063) 5.236 2.552 ( 0.244 -2.785 -1.226) 3.053 2.701 ( -1.394 9.983 1.181) 10.149 2.776 ( -7.596 2.422 1.472) 8.108 2.884 ( -4.295 5.629 -0.064) 7.081 2.982 ( 3.909 -7.001 0.395) 8.028 3.210 ( 0.181 -1.074 2.758) 2.965 3.304 ( 3.100 -1.774 -1.543) 3.890 3.423 ( 1.485 -3.472 0.790) 3.858 3.558 ( 0.013 -0.482 -0.417) 0.638 3.679 ( -3.586 1.422 1.053) 3.998 3.768 ( 0.126 0.112 -1.352) 1.363 4.282 ( -0.047 -1.733 -0.047) 1.734 4.512 ( 0.289 0.077 -2.608) 2.625 5.058 ( 4.589 1.771 0.278) 4.927 5.462 ( 0.337 1.773 3.681) 4.099 7.570 ( -1.244 0.580 -0.660) 1.523 7.899 ( -0.353 0.042 0.860) 0.930 8.394 ( 7.897 3.487 -1.508) 8.763 8.494 ( 0.835 -5.427 -2.039) 5.858 8.784 ( -7.634 0.551 0.006) 7.654 9.361 ( 0.536 -2.642 1.042) 2.890 17.789 ( -3.442 0.925 0.317) 3.578 18.036 ( 0.302 -0.798 -0.355) 0.924 18.278 ( -5.315 4.039 -1.232) 6.788 19.107 ( 4.723 -3.451 0.770) 5.900 19.331 ( 0.412 0.117 -0.112) 0.442 19.725 ( -0.459 -0.222 -0.756) 0.911 ======================= Grid point 30 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 8.587 -0.000) 8.587 1.232 ( -0.000 10.363 -0.000) 10.363 1.400 ( -0.000 1.320 -0.000) 1.320 1.426 ( 0.000 -1.834 0.000) 1.834 1.480 ( -0.000 5.501 -0.000) 5.501 1.667 ( -0.000 0.401 -0.000) 0.401 1.859 ( -0.000 3.058 -0.000) 3.058 1.907 ( -0.000 0.277 -0.000) 0.277 2.009 ( 0.000 -5.306 0.000) 5.306 2.066 ( 0.000 -5.307 0.000) 5.307 2.129 ( 0.000 -3.267 0.000) 3.267 2.192 ( -0.000 1.966 -0.000) 1.966 2.305 ( 0.000 -1.609 0.000) 1.609 2.392 ( 0.000 -6.352 0.000) 6.352 2.504 ( -0.000 12.156 -0.000) 12.156 2.562 ( 0.000 -4.541 0.000) 4.541 2.630 ( -0.000 5.431 -0.000) 5.431 2.682 ( 0.000 -2.922 0.000) 2.922 2.787 ( -0.000 4.211 -0.000) 4.211 3.110 ( 0.000 -7.455 0.000) 7.455 3.244 ( 0.000 -3.269 0.000) 3.269 3.307 ( -0.000 2.177 -0.000) 2.177 3.521 ( 0.000 -6.691 0.000) 6.691 3.535 ( -0.000 2.432 -0.000) 2.432 3.635 ( -0.000 1.055 -0.000) 1.055 3.761 ( -0.000 0.646 -0.000) 0.646 4.306 ( 0.000 -2.699 0.000) 2.699 4.509 ( -0.000 0.086 -0.000) 0.086 5.078 ( -0.000 1.787 -0.000) 1.787 5.435 ( -0.000 3.853 -0.000) 3.853 7.547 ( -0.000 1.260 -0.000) 1.260 7.894 ( -0.000 0.305 -0.000) 0.305 8.422 ( -0.000 3.706 -0.000) 3.706 8.580 ( 0.000 -7.286 0.000) 7.286 8.702 ( -0.000 0.524 -0.000) 0.524 9.413 ( 0.000 -5.053 0.000) 5.053 17.741 ( -0.000 1.932 -0.000) 1.932 18.058 ( 0.000 -1.969 0.000) 1.969 18.162 ( -0.000 7.683 -0.000) 7.683 19.202 ( 0.000 -5.874 0.000) 5.874 19.332 ( -0.000 0.168 -0.000) 0.168 19.724 ( 0.000 -0.518 0.000) 0.518 ======================= Grid point 38 (21/129) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 -0.000 0.000) 0.000 1.341 ( 0.000 -0.000 0.000) 0.000 1.375 ( 0.000 -0.000 0.000) 0.000 1.404 ( 0.000 -0.000 0.000) 0.000 1.615 ( 0.000 -0.000 0.000) 0.000 1.696 ( 0.000 -0.000 0.000) 0.000 1.855 ( 0.000 -0.000 0.000) 0.000 1.905 ( 0.000 -0.000 0.000) 0.000 1.948 ( 0.000 -0.000 0.000) 0.000 1.996 ( 0.000 -0.000 0.000) 0.000 2.095 ( 0.000 -0.000 0.000) 0.000 2.212 ( 0.000 -0.000 0.000) 0.000 2.244 ( 0.000 -0.000 0.000) 0.000 2.347 ( 0.000 -0.000 0.000) 0.000 2.507 ( 0.000 -0.000 0.000) 0.000 2.611 ( 0.000 -0.000 0.000) 0.000 2.640 ( 0.000 -0.000 0.000) 0.000 2.804 ( 0.000 -0.000 0.000) 0.000 2.886 ( 0.000 -0.000 0.000) 0.000 2.954 ( 0.000 -0.000 0.000) 0.000 3.209 ( 0.000 -0.000 0.000) 0.000 3.334 ( 0.000 -0.000 0.000) 0.000 3.395 ( 0.000 -0.000 0.000) 0.000 3.563 ( 0.000 -0.000 0.000) 0.000 3.653 ( 0.000 -0.000 0.000) 0.000 3.769 ( 0.000 -0.000 0.000) 0.000 4.273 ( 0.000 -0.000 0.000) 0.000 4.510 ( 0.000 -0.000 0.000) 0.000 5.104 ( 0.000 -0.000 0.000) 0.000 5.483 ( 0.000 -0.000 0.000) 0.000 7.563 ( 0.000 -0.000 0.000) 0.000 7.898 ( 0.000 -0.000 0.000) 0.000 8.436 ( 0.000 -0.000 0.000) 0.000 8.523 ( 0.000 -0.000 0.000) 0.000 8.708 ( 0.000 -0.000 0.000) 0.000 9.349 ( 0.000 -0.000 0.000) 0.000 17.769 ( 0.000 -0.000 0.000) 0.000 18.030 ( 0.000 -0.000 0.000) 0.000 18.262 ( 0.000 -0.000 0.000) 0.000 19.124 ( 0.000 -0.000 0.000) 0.000 19.335 ( 0.000 -0.000 0.000) 0.000 19.719 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -6.086 -0.000 15.158) 16.334 0.310 ( 2.419 0.000 16.126) 16.306 0.578 ( -3.155 -0.000 30.116) 30.281 0.771 ( 1.109 0.000 2.819) 3.030 1.510 ( -2.195 -0.000 4.605) 5.101 1.586 ( 5.993 0.000 -7.379) 9.506 1.679 ( 0.361 0.000 -2.715) 2.739 1.889 ( -5.767 -0.000 6.231) 8.490 1.941 ( 0.631 0.000 -2.725) 2.797 2.077 ( -1.098 -0.000 1.059) 1.526 2.135 ( -3.320 -0.000 -1.552) 3.664 2.401 ( 2.026 0.000 1.754) 2.680 2.429 ( -2.878 -0.000 -2.033) 3.524 2.565 ( 7.850 0.000 -2.618) 8.275 2.621 ( -0.928 -0.000 -4.505) 4.600 2.672 ( 0.656 0.000 4.597) 4.644 2.831 ( 1.583 0.000 2.029) 2.574 2.930 ( 10.998 0.000 1.799) 11.144 3.006 ( -17.596 -0.000 -5.099) 18.320 3.098 ( 1.845 0.000 -3.427) 3.892 3.237 ( 3.005 0.000 0.404) 3.032 3.261 ( -3.590 -0.000 3.994) 5.370 3.351 ( -2.568 -0.000 1.781) 3.125 3.565 ( -1.465 -0.000 0.272) 1.490 3.711 ( 0.214 0.000 -1.229) 1.248 4.140 ( 18.204 0.000 0.738) 18.219 4.298 ( 0.082 0.000 -0.353) 0.362 4.575 ( 0.441 0.000 -1.058) 1.146 4.652 ( -31.592 -0.000 1.345) 31.621 5.048 ( 0.386 0.000 -1.335) 1.390 7.487 ( -0.227 -0.000 1.401) 1.419 7.911 ( -0.031 -0.000 4.562) 4.562 8.058 ( -0.291 -0.000 -1.131) 1.168 8.727 ( -0.307 -0.000 -4.329) 4.340 9.660 ( 0.314 0.000 -1.007) 1.055 9.959 ( 21.260 0.000 0.406) 21.264 17.663 ( -4.339 -0.000 -1.250) 4.515 17.738 ( -3.132 -0.000 1.005) 3.289 18.112 ( -1.996 -0.000 0.382) 2.032 18.204 ( 2.190 0.000 -0.500) 2.246 19.788 ( 1.583 0.000 -1.266) 2.027 19.876 ( -2.686 -0.000 0.640) 2.761 ======================= Grid point 68 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 5.737 -9.421 11.571) 15.986 0.522 ( 8.930 -8.472 13.071) 17.954 0.808 ( 11.365 -8.084 10.371) 17.380 0.895 ( 8.106 -11.009 10.034) 16.959 1.503 ( 0.352 0.245 3.907) 3.930 1.678 ( 4.796 -1.015 -4.210) 6.462 1.708 ( -2.225 -6.342 -3.880) 7.760 1.863 ( 0.452 1.582 2.408) 2.916 1.950 ( 2.474 -1.354 -0.218) 2.828 2.042 ( -3.990 -1.033 -1.000) 4.241 2.086 ( -2.459 -0.975 -1.700) 3.144 2.370 ( -2.952 1.356 -4.525) 5.570 2.423 ( 1.086 1.534 3.345) 3.837 2.563 ( -0.956 2.262 1.573) 2.917 2.640 ( -0.878 1.568 -2.158) 2.808 2.687 ( 1.603 2.296 3.820) 4.737 2.723 ( -5.082 0.592 -1.600) 5.361 2.896 ( 2.329 2.888 -0.744) 3.784 3.028 ( 2.208 7.394 -2.719) 8.181 3.158 ( 3.443 -3.267 -3.612) 5.964 3.251 ( 3.529 3.726 0.118) 5.133 3.277 ( 2.681 0.934 2.100) 3.532 3.331 ( -2.636 -2.713 1.725) 4.157 3.545 ( -1.562 1.562 0.222) 2.220 3.676 ( -4.289 -2.660 -2.608) 5.681 4.091 ( -0.735 9.623 6.681) 11.738 4.455 ( -11.669 -14.240 -0.369) 18.414 4.519 ( 6.772 -0.810 -3.240) 7.551 4.597 ( 2.790 -1.899 -2.483) 4.190 5.108 ( 5.945 -4.235 -2.809) 7.821 7.545 ( 5.205 0.225 -0.693) 5.256 7.925 ( 0.235 -0.194 4.749) 4.759 8.039 ( -4.047 -2.724 -1.000) 4.980 8.676 ( -1.602 3.413 -4.321) 5.734 9.592 ( -5.428 8.028 3.607) 10.340 9.667 ( -17.841 9.734 16.443) 26.142 17.770 ( 3.929 -1.762 0.040) 4.306 17.891 ( 18.082 11.138 -7.441) 22.503 18.135 ( 4.688 -1.695 -2.090) 5.405 18.475 ( 7.402 -25.294 -17.902) 31.860 19.728 ( -9.237 4.631 6.852) 12.398 19.799 ( 0.448 1.381 -0.454) 1.521 ======================= Grid point 69 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 6.928 -9.516 9.508) 15.131 0.791 ( 10.846 -5.639 10.811) 16.319 0.982 ( 1.875 -7.982 0.757) 8.234 1.313 ( 16.127 -11.271 4.741) 20.238 1.553 ( 4.623 -2.103 4.939) 7.084 1.694 ( -2.763 -0.839 0.178) 2.893 1.744 ( -0.893 -6.918 -2.152) 7.299 1.819 ( -0.538 5.383 -0.650) 5.449 1.986 ( -3.081 -1.636 -1.434) 3.771 2.032 ( -1.809 -1.592 0.935) 2.585 2.119 ( 6.249 -3.724 -1.999) 7.545 2.293 ( -1.440 2.763 -4.633) 5.583 2.416 ( -0.361 2.295 3.517) 4.215 2.538 ( -5.370 2.178 1.398) 5.961 2.550 ( 0.496 -0.674 3.014) 3.128 2.669 ( -0.327 4.359 1.512) 4.625 2.741 ( 5.711 1.104 -4.357) 7.267 2.910 ( 2.004 2.404 0.640) 3.194 2.938 ( -0.732 5.602 -0.899) 5.721 3.160 ( -1.836 4.512 -0.385) 4.887 3.207 ( -0.871 1.449 -3.933) 4.281 3.315 ( 0.549 0.789 2.270) 2.465 3.369 ( 0.123 -4.047 0.162) 4.052 3.535 ( 0.769 -2.102 1.120) 2.503 3.617 ( -3.204 1.115 -3.436) 4.829 4.013 ( -1.833 4.995 4.513) 6.976 4.440 ( -6.309 -7.511 -2.823) 10.208 4.550 ( 1.218 1.489 1.998) 2.774 4.633 ( -0.516 -1.352 -0.831) 1.669 5.265 ( 8.262 -2.604 -3.737) 9.434 7.614 ( 4.571 0.914 -0.384) 4.677 7.946 ( 0.281 -0.389 4.108) 4.136 7.990 ( -6.567 -3.745 -0.007) 7.560 8.600 ( -1.514 2.748 -4.320) 5.339 9.368 ( -7.182 7.698 16.429) 19.513 9.498 ( -6.352 2.795 -2.841) 7.499 17.861 ( 3.960 -2.347 0.584) 4.640 17.953 ( 5.871 4.682 -2.255) 7.840 18.255 ( 9.931 0.306 -3.343) 10.484 18.728 ( 2.777 -13.346 -17.199) 21.946 19.556 ( -8.145 4.691 8.434) 12.628 19.783 ( -0.388 1.118 -0.981) 1.538 ======================= Grid point 70 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 4.935 -4.355 6.785) 9.452 1.018 ( 4.673 -3.427 5.692) 8.123 1.096 ( 5.866 -6.556 3.470) 9.457 1.500 ( 0.968 0.026 0.501) 1.090 1.619 ( -2.754 3.681 0.163) 4.600 1.681 ( -1.562 -2.215 -1.306) 3.009 1.794 ( 3.302 -0.959 -2.063) 4.010 1.909 ( 8.684 -13.509 5.598) 17.007 1.983 ( -0.264 -1.938 -1.869) 2.705 1.990 ( -1.692 1.736 -1.355) 2.777 2.202 ( 0.488 -1.151 -1.680) 2.094 2.263 ( 0.424 0.488 0.716) 0.964 2.382 ( -1.776 1.204 1.132) 2.426 2.454 ( -4.046 0.487 3.288) 5.236 2.554 ( -3.792 7.077 3.945) 8.945 2.644 ( 4.976 -0.920 -0.085) 5.061 2.824 ( -0.305 2.201 -3.577) 4.211 2.842 ( 4.696 -0.046 0.959) 4.793 2.961 ( 2.865 0.128 -0.255) 2.879 3.056 ( -1.371 4.892 -0.324) 5.091 3.194 ( 0.918 0.447 -4.009) 4.137 3.296 ( -2.978 2.615 1.366) 4.192 3.368 ( -2.683 -1.185 3.100) 4.268 3.554 ( -1.963 -1.599 -2.193) 3.350 3.613 ( 3.967 -1.660 -2.550) 4.999 3.923 ( -3.811 4.453 2.401) 6.334 4.424 ( -2.706 -3.754 -2.479) 5.250 4.552 ( -1.637 -1.353 3.120) 3.774 4.631 ( -0.227 0.305 1.416) 1.466 5.376 ( 5.675 0.963 -3.031) 6.506 7.663 ( 3.238 1.186 0.136) 3.451 7.925 ( -5.947 -3.139 -0.089) 6.725 7.965 ( 0.246 0.413 3.911) 3.940 8.559 ( -0.252 -0.004 -3.016) 3.027 9.253 ( -5.593 3.496 5.493) 8.584 9.380 ( -2.092 2.913 -0.656) 3.645 17.932 ( 2.614 -0.383 -0.022) 2.642 17.980 ( 2.098 0.641 -0.430) 2.236 18.401 ( 8.722 -1.072 -4.981) 10.102 18.811 ( -0.485 -5.729 -9.476) 11.084 19.423 ( -5.301 3.111 6.621) 9.034 19.763 ( -0.541 0.394 -0.898) 1.120 ======================= Grid point 71 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.412 2.061 4.053) 5.147 1.044 ( -0.545 2.110 2.195) 3.093 1.318 ( -0.190 -2.286 6.023) 6.445 1.380 ( 0.333 1.561 2.671) 3.111 1.614 ( 2.745 1.681 -0.898) 3.342 1.675 ( -2.093 -3.767 -0.939) 4.410 1.843 ( -1.102 -2.642 -2.744) 3.965 1.914 ( 0.062 5.123 -3.647) 6.289 2.022 ( 0.869 -2.447 1.124) 2.830 2.151 ( 0.713 -5.482 3.661) 6.630 2.239 ( 2.136 -2.383 -0.798) 3.298 2.262 ( 1.819 0.162 1.874) 2.617 2.338 ( -4.803 5.339 0.838) 7.230 2.392 ( -2.353 2.414 2.533) 4.217 2.422 ( -1.443 -1.848 2.306) 3.289 2.735 ( 3.568 -0.637 0.929) 3.741 2.759 ( -2.682 -0.199 0.640) 2.765 2.935 ( 2.430 -3.272 0.541) 4.112 2.968 ( -2.359 1.983 -1.782) 3.559 3.071 ( 6.162 0.586 -0.881) 6.252 3.170 ( -6.029 2.535 1.034) 6.622 3.220 ( 4.441 1.087 -2.940) 5.435 3.367 ( -1.157 -2.284 3.186) 4.087 3.552 ( 0.761 0.235 -2.357) 2.488 3.679 ( 1.828 -2.626 -3.267) 4.572 3.824 ( -3.025 3.152 1.834) 4.738 4.427 ( 0.404 -0.106 -1.189) 1.261 4.551 ( -2.843 -3.683 1.480) 4.882 4.638 ( 1.328 0.535 3.971) 4.221 5.403 ( 2.466 3.725 -3.290) 5.549 7.685 ( 0.169 -0.299 0.174) 0.385 7.883 ( -1.856 -0.663 -0.445) 2.020 7.971 ( 0.519 1.091 3.824) 4.010 8.581 ( 2.117 -2.228 -0.721) 3.157 9.109 ( -7.720 3.096 -3.460) 9.009 9.385 ( 3.229 -0.248 2.643) 4.180 17.942 ( 0.572 2.542 -1.143) 2.845 18.002 ( -0.419 -1.895 0.664) 2.051 18.479 ( -0.605 -2.170 -6.271) 6.663 18.841 ( 3.881 -0.405 -4.622) 6.049 19.363 ( -1.848 0.151 5.076) 5.404 19.757 ( -0.166 -0.622 -0.577) 0.864 ======================= Grid point 72 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -8.802 3.494 4.782) 10.609 0.940 ( -7.553 7.493 2.174) 10.859 1.140 ( -5.712 8.063 3.164) 10.376 1.556 ( 4.775 -3.329 0.892) 5.888 1.612 ( 0.137 3.037 -0.542) 3.088 1.696 ( -4.226 -3.230 3.156) 6.185 1.749 ( -4.467 3.268 -1.549) 5.747 1.868 ( -1.597 7.076 1.134) 7.342 2.046 ( -0.986 4.699 2.004) 5.203 2.071 ( -2.347 -1.455 2.046) 3.437 2.226 ( -0.491 -0.051 -0.808) 0.947 2.295 ( 1.135 -4.618 1.224) 4.911 2.360 ( 0.116 -2.291 0.023) 2.294 2.404 ( 1.491 -3.028 2.839) 4.410 2.470 ( 2.045 -2.800 -0.633) 3.525 2.719 ( -2.228 -0.665 0.333) 2.349 2.796 ( 0.049 -1.185 1.876) 2.220 2.875 ( -4.033 1.292 -3.841) 5.717 3.006 ( -2.388 -0.641 3.321) 4.140 3.049 ( 1.710 -1.552 -0.199) 2.318 3.177 ( 3.144 -0.381 -2.099) 3.799 3.281 ( 3.777 0.184 -0.120) 3.783 3.409 ( 2.548 -1.003 0.899) 2.882 3.558 ( 0.801 -0.933 -2.094) 2.428 3.686 ( -2.482 -0.712 -0.333) 2.604 3.800 ( 1.155 -0.439 -0.042) 1.236 4.418 ( 1.237 3.575 -1.316) 4.005 4.558 ( -3.273 -5.582 -0.549) 6.494 4.697 ( 5.660 0.488 6.863) 8.909 5.358 ( -0.148 5.188 -3.966) 6.532 7.679 ( -3.403 -3.218 0.363) 4.698 7.880 ( 1.973 1.465 -1.123) 2.702 7.981 ( 1.825 1.949 4.284) 5.048 8.667 ( 5.176 -2.407 0.951) 5.787 8.942 ( -7.634 2.751 -4.718) 9.387 9.472 ( 4.593 -2.462 1.973) 5.572 17.894 ( -1.372 3.822 -1.622) 4.373 18.009 ( -2.347 -2.849 0.793) 3.776 18.403 ( -8.997 -1.942 -3.491) 9.844 18.914 ( 8.122 2.903 -10.168) 13.333 19.389 ( 1.233 -2.854 7.503) 8.122 19.766 ( -0.091 -1.404 -0.501) 1.493 ======================= Grid point 73 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -12.604 1.372 8.279) 15.142 0.690 ( -12.238 8.292 5.459) 15.758 0.972 ( -2.926 11.733 0.343) 12.097 1.335 ( -19.795 15.945 7.798) 26.588 1.578 ( -0.912 0.842 -3.571) 3.781 1.608 ( -1.473 2.540 4.008) 4.968 1.743 ( 2.015 5.541 -1.157) 6.008 1.851 ( 2.004 -4.189 0.957) 4.741 2.040 ( 0.719 0.854 2.089) 2.368 2.066 ( 0.460 1.311 1.908) 2.360 2.233 ( -2.806 -2.651 0.625) 3.911 2.327 ( -1.271 -0.182 0.109) 1.289 2.390 ( 0.675 -5.176 -1.091) 5.333 2.467 ( -0.015 -2.603 2.255) 3.444 2.551 ( 3.283 -5.181 -0.504) 6.154 2.686 ( -2.381 0.206 1.606) 2.879 2.758 ( -1.063 1.288 -2.721) 3.193 2.855 ( -2.761 -4.123 -0.494) 4.987 2.995 ( 0.576 -1.352 1.917) 2.416 3.106 ( 1.818 -1.213 -3.077) 3.774 3.207 ( 1.435 1.172 -0.448) 1.906 3.345 ( 3.004 -0.968 1.964) 3.717 3.451 ( 4.948 2.296 -1.585) 5.681 3.559 ( -4.298 -3.297 0.039) 5.417 3.677 ( -0.412 -2.249 -2.380) 3.300 3.827 ( 0.930 -0.946 2.635) 2.950 4.381 ( 0.903 4.654 -1.812) 5.076 4.568 ( -2.530 -4.237 -1.073) 5.050 4.837 ( 9.767 -0.094 6.793) 11.897 5.267 ( -2.109 5.488 -4.738) 7.551 7.656 ( -5.866 -5.019 -0.686) 7.750 7.892 ( 1.183 0.780 0.233) 1.436 8.011 ( 4.071 2.633 3.200) 5.809 8.765 ( 0.456 1.359 -8.857) 8.972 8.833 ( 3.548 0.337 11.634) 12.168 9.578 ( 4.101 -2.827 1.624) 5.239 17.813 ( -2.202 4.112 -1.794) 4.998 18.003 ( -4.730 -5.593 0.401) 7.336 18.266 ( -10.089 -2.270 -1.475) 10.446 18.917 ( 3.631 8.173 -21.085) 22.904 19.508 ( 4.971 -5.066 11.157) 13.223 19.781 ( -0.164 -1.685 -0.223) 1.708 ======================= Grid point 74 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -12.322 4.637 9.826) 16.428 0.464 ( -11.598 3.419 13.792) 18.342 0.767 ( -10.926 10.746 6.645) 16.704 0.881 ( -10.573 15.878 11.476) 22.262 1.546 ( -0.289 0.674 -3.185) 3.268 1.560 ( -1.311 2.400 1.995) 3.385 1.713 ( 2.816 5.710 -3.959) 7.497 1.919 ( 1.334 -2.346 -0.765) 2.805 1.992 ( -6.082 1.777 4.697) 7.887 2.075 ( 1.076 0.673 1.895) 2.280 2.185 ( -3.247 0.192 0.748) 3.338 2.354 ( 2.161 -1.497 -0.130) 2.632 2.445 ( 1.063 -3.215 -1.011) 3.534 2.483 ( -0.640 -0.556 -0.040) 0.849 2.629 ( -0.822 -4.067 -2.290) 4.740 2.665 ( -0.819 -0.045 2.032) 2.191 2.776 ( 2.603 -2.188 -0.301) 3.414 2.848 ( -0.990 -1.317 2.043) 2.625 3.045 ( 2.673 -2.161 -1.718) 3.842 3.138 ( -0.627 -3.246 -3.574) 4.868 3.196 ( 1.242 2.159 -0.616) 2.566 3.368 ( -1.839 -0.175 2.196) 2.870 3.417 ( -9.801 -2.722 -2.162) 10.399 3.621 ( 6.993 0.031 0.957) 7.058 3.642 ( -1.969 1.140 -5.360) 5.823 3.897 ( 4.390 -3.275 7.870) 9.588 4.339 ( 1.668 5.357 -1.584) 5.830 4.572 ( -1.107 -2.042 -1.148) 2.591 4.990 ( 4.848 -0.534 -0.167) 4.880 5.124 ( -7.382 6.458 -8.391) 12.908 7.582 ( -9.607 -3.124 -4.064) 10.889 7.900 ( -0.045 -0.104 3.256) 3.258 8.051 ( 2.884 1.545 0.166) 3.276 8.717 ( -0.446 -1.638 -3.049) 3.490 9.125 ( 29.852 -3.215 27.844) 40.948 9.660 ( 2.473 -1.551 1.989) 3.532 17.737 ( -1.501 2.660 -1.759) 3.524 17.982 ( -14.972 -15.452 -3.068) 21.733 18.151 ( -6.304 -1.092 -0.386) 6.409 18.631 ( -10.598 26.026 -31.748) 42.398 19.702 ( 7.454 -5.251 6.137) 10.991 19.807 ( 1.106 -2.678 2.806) 4.034 ======================= Grid point 76 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 12.787 0.000 5.045) 13.746 0.654 ( 11.663 0.000 11.914) 16.672 0.924 ( 8.803 0.000 2.539) 9.162 1.129 ( 20.755 0.000 13.546) 24.784 1.538 ( 2.552 0.000 3.863) 4.630 1.619 ( -3.340 -0.000 -2.759) 4.332 1.711 ( 1.659 0.000 -1.599) 2.304 1.928 ( -1.226 -0.000 -0.704) 1.414 1.960 ( -4.581 -0.000 -0.263) 4.589 1.991 ( 4.751 0.000 1.272) 4.919 2.059 ( 3.101 0.000 -2.564) 4.024 2.328 ( -1.656 -0.000 -5.785) 6.017 2.446 ( -0.678 -0.000 4.065) 4.121 2.513 ( -5.474 -0.000 0.803) 5.533 2.580 ( -3.059 -0.000 -0.893) 3.187 2.738 ( 1.280 0.000 5.077) 5.236 2.751 ( 4.577 0.000 -5.078) 6.836 2.948 ( 2.590 0.000 -1.010) 2.780 3.005 ( -6.341 -0.000 -1.321) 6.477 3.191 ( 2.686 0.000 -3.141) 4.133 3.263 ( -2.847 -0.000 5.022) 5.773 3.297 ( 0.626 0.000 -2.292) 2.376 3.356 ( 0.520 0.000 -0.471) 0.701 3.529 ( -5.632 -0.000 -2.632) 6.216 3.608 ( 3.360 0.000 -1.362) 3.625 4.096 ( -5.979 -0.000 4.042) 7.217 4.290 ( -0.509 -0.000 -0.366) 0.627 4.563 ( -1.643 -0.000 0.535) 1.728 4.632 ( 3.342 0.000 -1.137) 3.530 5.226 ( 11.434 0.000 -3.680) 12.012 7.629 ( 5.330 0.000 -1.504) 5.538 7.938 ( 0.000 0.000 5.242) 5.242 7.942 ( -5.721 -0.000 -0.139) 5.722 8.648 ( -2.736 -0.000 -5.341) 6.001 9.461 ( -16.591 -0.000 19.580) 25.664 9.542 ( -5.648 -0.000 -1.321) 5.801 17.827 ( 4.512 0.000 1.593) 4.785 18.048 ( -1.242 -0.000 0.061) 1.243 18.385 ( 8.248 0.000 -0.128) 8.249 18.391 ( 18.739 0.000 -28.949) 34.485 19.616 ( -10.124 -0.000 9.130) 13.633 19.798 ( -1.000 -0.000 -1.026) 1.433 ======================= Grid point 77 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 10.332 -1.064 5.674) 11.836 0.923 ( 11.711 -7.031 7.891) 15.775 1.075 ( 11.686 4.176 2.144) 12.593 1.478 ( 13.110 -2.315 2.813) 13.607 1.562 ( -3.985 -2.379 -3.585) 5.865 1.632 ( 6.015 -5.631 7.056) 10.848 1.734 ( 1.612 -0.406 -1.105) 1.996 1.845 ( -4.622 4.592 0.579) 6.541 1.921 ( -2.387 -2.873 1.541) 4.041 2.006 ( 0.206 -0.238 -0.070) 0.323 2.153 ( 2.219 -2.271 -0.900) 3.300 2.292 ( 0.488 1.396 -6.597) 6.760 2.416 ( -4.007 1.256 1.908) 4.612 2.437 ( -5.297 -1.334 0.232) 5.467 2.584 ( 3.000 -1.325 2.024) 3.854 2.727 ( -0.305 5.149 2.631) 5.790 2.826 ( 5.940 -1.396 -3.570) 7.070 2.883 ( -6.774 1.541 -0.720) 6.984 2.965 ( -0.721 0.393 0.082) 0.825 3.192 ( -0.995 3.640 0.612) 3.823 3.204 ( -1.599 2.418 -2.407) 3.768 3.302 ( 0.120 -1.621 2.845) 3.277 3.364 ( 0.405 0.136 -0.619) 0.752 3.470 ( -3.046 -3.023 -1.247) 4.469 3.644 ( 2.889 1.818 -2.380) 4.161 4.001 ( -5.596 1.972 1.877) 6.223 4.306 ( -1.284 -4.067 -0.678) 4.319 4.522 ( -3.640 -1.040 2.168) 4.362 4.677 ( 4.001 1.923 -1.232) 4.607 5.381 ( 8.234 -0.250 -1.786) 8.429 7.692 ( 3.027 0.917 -0.215) 3.170 7.876 ( -2.755 -1.038 0.011) 2.944 7.955 ( -0.111 -0.756 4.974) 5.032 8.581 ( -2.515 1.267 -5.011) 5.748 9.293 ( -10.277 0.402 8.983) 13.656 9.444 ( -4.357 1.925 0.332) 4.775 17.901 ( 3.129 -0.883 2.012) 3.823 18.027 ( 0.243 1.469 -0.010) 1.489 18.442 ( 9.901 5.385 -10.185) 15.191 18.627 ( 5.819 -9.379 -11.841) 16.188 19.484 ( -8.007 1.657 8.437) 11.749 19.772 ( -1.428 0.286 -1.401) 2.021 ======================= Grid point 78 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 6.286 -0.235 4.705) 7.856 1.173 ( 10.534 2.922 1.178) 10.995 1.201 ( 10.785 0.071 7.752) 13.282 1.481 ( -4.901 0.468 -1.256) 5.081 1.573 ( -2.598 0.307 -0.954) 2.784 1.659 ( -1.311 3.225 -0.110) 3.483 1.790 ( 0.271 -1.815 -1.866) 2.617 1.922 ( 4.694 -9.345 4.090) 11.229 1.946 ( -0.699 -4.955 1.030) 5.109 2.033 ( 5.455 0.959 -1.588) 5.761 2.171 ( -0.794 -2.164 0.933) 2.487 2.295 ( 2.120 0.920 -2.436) 3.358 2.327 ( -4.496 -0.941 -0.683) 4.644 2.375 ( -5.350 -1.438 2.203) 5.962 2.614 ( -2.193 9.871 3.814) 10.807 2.665 ( 0.254 -3.656 0.862) 3.765 2.765 ( -6.422 0.560 0.551) 6.469 2.905 ( -0.630 -0.069 -1.926) 2.028 2.980 ( 5.001 -2.357 -2.041) 5.893 3.099 ( -0.531 4.148 -0.380) 4.199 3.198 ( -1.383 0.353 -0.115) 1.432 3.297 ( -1.620 3.215 -0.956) 3.725 3.334 ( -0.961 -0.466 3.961) 4.103 3.511 ( 1.838 -4.114 -0.699) 4.560 3.658 ( 2.372 1.322 -3.838) 4.702 3.893 ( -5.207 2.227 1.166) 5.782 4.339 ( -0.572 -4.727 -0.274) 4.770 4.497 ( -2.683 -1.939 1.955) 3.844 4.707 ( 4.808 4.074 -0.570) 6.328 5.467 ( 3.960 1.602 -0.182) 4.276 7.687 ( -2.358 0.166 0.648) 2.451 7.889 ( 3.633 1.091 -0.524) 3.830 7.977 ( 0.461 -0.673 4.243) 4.321 8.538 ( -0.767 -1.084 -3.618) 3.853 9.151 ( -9.114 0.696 -0.165) 9.142 9.391 ( -0.774 0.544 2.570) 2.739 17.943 ( 0.227 -0.945 1.554) 1.833 18.019 ( 0.588 1.520 0.070) 1.632 18.470 ( 1.196 1.698 -10.904) 11.100 18.773 ( 6.366 -4.964 -3.951) 8.988 19.386 ( -4.424 1.371 5.708) 7.351 19.747 ( -1.077 -0.186 -1.253) 1.663 ======================= Grid point 79 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 1.006 8.464 1.966) 8.747 1.183 ( -0.388 11.952 2.020) 12.128 1.314 ( -0.599 6.437 4.335) 7.784 1.453 ( 7.168 -3.086 4.279) 8.901 1.544 ( -2.657 -7.657 -2.662) 8.531 1.658 ( -0.681 0.031 2.670) 2.756 1.787 ( -2.051 0.085 -2.900) 3.553 1.970 ( 1.703 0.909 -2.003) 2.782 1.996 ( -0.462 -3.226 1.147) 3.455 2.092 ( -2.286 -3.309 3.140) 5.102 2.228 ( -3.682 -1.176 0.069) 3.866 2.260 ( 1.966 -1.650 -3.622) 4.439 2.337 ( -1.583 -4.227 1.223) 4.677 2.390 ( 5.091 -0.367 0.794) 5.166 2.443 ( -3.014 10.504 4.310) 11.747 2.679 ( -5.117 -2.232 1.435) 5.764 2.720 ( -1.640 -5.419 1.672) 5.903 2.901 ( -2.768 -1.175 -1.031) 3.179 2.949 ( -1.449 1.798 -1.209) 2.606 3.090 ( -7.759 2.477 2.863) 8.633 3.166 ( 5.780 -1.058 -3.203) 6.692 3.290 ( 2.508 0.622 -1.027) 2.780 3.367 ( 3.037 -1.431 4.120) 5.315 3.562 ( 1.062 -0.412 -3.065) 3.269 3.670 ( 0.577 -0.524 -3.190) 3.284 3.813 ( -2.408 1.275 1.871) 3.305 4.393 ( -0.013 -5.179 0.164) 5.182 4.480 ( -2.399 -1.032 0.192) 2.619 4.750 ( 7.275 4.048 1.420) 8.445 5.468 ( 0.550 4.028 0.221) 4.071 7.641 ( -3.653 -0.595 0.370) 3.720 7.921 ( 2.163 1.904 -0.059) 2.882 8.020 ( 4.631 1.388 2.670) 5.523 8.574 ( 2.026 -4.840 -1.965) 5.603 8.994 ( -8.474 1.809 -2.437) 9.002 9.417 ( 1.847 -2.232 1.940) 3.486 17.939 ( -2.571 -1.028 0.998) 2.943 18.001 ( 0.073 2.779 -0.252) 2.792 18.383 ( -7.051 0.446 -6.496) 9.597 18.926 ( 8.917 -1.986 -4.337) 10.113 19.350 ( -0.962 -0.408 4.224) 4.351 19.737 ( -0.742 -0.966 -1.122) 1.656 ======================= Grid point 80 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -1.302 13.734 1.558) 13.884 0.944 ( -8.982 12.746 3.895) 16.072 1.246 ( 1.890 10.929 2.327) 11.333 1.530 ( -5.689 -0.248 1.439) 5.874 1.597 ( 0.485 0.485 -1.253) 1.428 1.629 ( -3.001 -1.181 5.119) 6.050 1.756 ( 0.967 -0.918 2.869) 3.164 1.947 ( -1.104 7.115 -0.070) 7.201 2.035 ( 0.993 -2.195 -0.331) 2.432 2.084 ( 0.977 -0.458 -0.347) 1.134 2.177 ( -2.310 0.469 -2.370) 3.343 2.266 ( -0.538 -5.247 -0.226) 5.280 2.326 ( -1.658 2.334 4.750) 5.546 2.421 ( 0.454 -1.151 1.960) 2.318 2.472 ( 3.296 -3.023 -0.769) 4.538 2.651 ( -3.272 -2.920 0.482) 4.412 2.755 ( -1.769 -4.492 2.040) 5.240 2.783 ( -6.296 0.684 -3.334) 7.157 2.939 ( -5.846 -1.869 4.352) 7.524 3.064 ( 4.575 -2.348 -0.205) 5.146 3.221 ( 2.834 0.270 -2.529) 3.808 3.326 ( 1.790 -0.950 0.548) 2.099 3.462 ( 4.138 -2.162 1.721) 4.976 3.544 ( -0.471 2.146 -5.785) 6.188 3.651 ( -1.966 -0.081 -0.068) 1.969 3.805 ( 0.056 -0.852 2.749) 2.878 4.442 ( -3.533 -2.943 -0.197) 4.602 4.455 ( 1.489 -1.402 -0.916) 2.241 4.855 ( 9.458 1.868 2.472) 9.952 5.401 ( -1.710 5.784 -0.140) 6.033 7.592 ( -3.914 -0.932 0.099) 4.025 7.918 ( -0.062 1.169 0.820) 1.429 8.090 ( 7.043 3.923 1.126) 8.140 8.687 ( 2.828 -7.279 -4.876) 9.206 8.855 ( -4.550 1.856 3.653) 6.123 9.497 ( 2.863 -4.102 1.001) 5.102 17.895 ( -5.200 -1.432 0.876) 5.465 17.948 ( -1.309 4.863 -1.434) 5.237 18.241 ( -8.454 -0.303 -1.742) 8.637 19.040 ( 7.265 2.257 -11.224) 13.559 19.397 ( 2.276 -3.934 6.789) 8.170 19.739 ( -0.592 -1.666 -1.082) 2.073 ======================= Grid point 81 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.479 14.499 4.755) 15.330 0.690 ( -4.642 14.071 7.470) 16.594 1.112 ( -0.912 15.165 1.015) 15.226 1.285 ( -11.827 15.185 7.463) 20.644 1.563 ( -4.501 0.760 3.533) 5.773 1.613 ( 2.417 2.689 -0.207) 3.622 1.824 ( 0.247 -2.604 0.420) 2.650 1.848 ( 0.599 3.542 -0.746) 3.669 2.041 ( -1.849 1.338 0.587) 2.357 2.110 ( 2.299 2.537 -0.551) 3.467 2.176 ( -0.292 -2.054 -0.697) 2.189 2.293 ( -0.814 -3.686 -0.281) 3.785 2.365 ( 2.282 -3.448 3.023) 5.122 2.418 ( -2.861 -4.028 0.558) 4.972 2.543 ( 2.004 -1.361 -1.264) 2.732 2.633 ( -2.756 -3.250 -0.339) 4.274 2.736 ( 0.384 -1.641 -1.459) 2.229 2.788 ( -0.535 -3.607 1.950) 4.135 2.912 ( -5.493 -6.378 4.200) 9.407 3.133 ( 3.674 1.525 -2.595) 4.750 3.245 ( 0.841 1.070 -0.645) 1.506 3.356 ( -1.536 -1.844 -0.179) 2.407 3.443 ( -4.252 2.891 -2.158) 5.576 3.579 ( 5.859 -2.088 0.284) 6.227 3.640 ( -0.013 -0.955 -2.847) 3.003 3.831 ( 0.221 -1.942 6.567) 6.852 4.411 ( -0.682 0.537 -0.452) 0.978 4.503 ( 0.887 -3.042 -0.762) 3.259 4.978 ( 5.387 -0.118 -1.148) 5.509 5.289 ( -2.951 7.025 -1.648) 7.796 7.538 ( -4.059 -0.360 0.260) 4.083 7.905 ( -0.497 0.509 1.970) 2.095 8.138 ( 5.299 5.418 -0.238) 7.582 8.680 ( -4.443 -2.101 -6.568) 8.203 8.980 ( 10.416 -8.025 13.175) 18.614 9.592 ( 2.201 -4.444 0.818) 5.026 17.803 ( -10.581 -2.585 0.398) 10.899 17.853 ( -0.195 6.920 -1.651) 7.117 18.146 ( -3.944 -0.316 0.971) 4.074 19.014 ( 2.377 9.061 -19.972) 22.060 19.539 ( 4.231 -7.317 8.381) 11.903 19.752 ( -0.250 -2.155 -0.678) 2.273 ======================= Grid point 82 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.509 10.635 11.525) 15.690 0.535 ( 2.836 15.739 9.738) 18.724 0.860 ( -1.814 21.824 9.989) 24.070 1.003 ( -2.240 15.544 6.271) 16.910 1.509 ( -2.791 -0.155 3.721) 4.654 1.628 ( 4.859 2.999 -3.405) 6.648 1.781 ( -0.466 2.423 -3.800) 4.531 1.906 ( 1.675 -2.902 1.433) 3.644 1.953 ( -5.245 4.299 1.102) 6.870 2.098 ( -0.338 2.336 -0.096) 2.362 2.150 ( -2.793 1.252 -2.377) 3.875 2.353 ( 1.598 -4.025 0.846) 4.412 2.411 ( -2.117 -3.293 -3.483) 5.240 2.479 ( 3.346 -4.989 4.554) 7.538 2.579 ( 2.400 -2.156 -4.719) 5.716 2.646 ( 0.030 -2.216 0.625) 2.303 2.793 ( 1.740 -2.542 1.746) 3.540 2.843 ( -0.054 -5.576 0.230) 5.581 2.895 ( -6.081 -5.700 4.967) 9.703 3.148 ( 3.408 3.351 -3.266) 5.789 3.225 ( -0.545 1.431 -0.115) 1.535 3.284 ( -3.849 0.966 0.030) 3.969 3.389 ( -0.988 2.362 1.481) 2.958 3.584 ( -3.142 -0.188 -3.161) 4.461 3.709 ( 2.410 -1.208 -1.347) 3.013 3.928 ( 3.993 -6.533 9.463) 12.173 4.424 ( 3.836 0.833 0.670) 3.982 4.547 ( 1.245 -1.970 -0.797) 2.463 4.904 ( -12.724 6.906 -11.732) 18.634 5.150 ( -0.429 8.567 -2.456) 8.923 7.497 ( 0.284 0.878 1.300) 1.595 7.909 ( 0.253 -0.115 3.725) 3.735 8.119 ( 0.368 5.107 -1.320) 5.287 8.657 ( -1.344 -3.917 -3.030) 5.132 9.363 ( 9.422 -20.930 17.100) 28.623 9.662 ( -0.509 -4.796 2.650) 5.503 17.678 ( -2.183 1.057 -0.162) 2.431 17.789 ( 1.109 4.889 -0.159) 5.016 18.120 ( -0.112 0.297 1.169) 1.212 18.787 ( -0.451 22.018 -25.955) 34.039 19.703 ( 0.295 -9.448 6.851) 11.674 19.773 ( -0.219 -1.976 -0.544) 2.061 ======================= Grid point 85 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 9.494 0.000 2.219) 9.750 1.095 ( 12.623 0.000 8.206) 15.056 1.319 ( 12.721 0.000 -0.639) 12.737 1.473 ( -3.124 -0.000 -4.293) 5.309 1.653 ( 5.337 0.000 0.581) 5.369 1.679 ( 3.412 0.000 6.311) 7.174 1.756 ( 2.450 0.000 -3.330) 4.134 1.816 ( -5.642 -0.000 3.154) 6.464 1.826 ( -3.453 -0.000 2.985) 4.564 2.051 ( 5.240 0.000 -0.457) 5.260 2.136 ( -1.195 -0.000 2.033) 2.358 2.303 ( 2.255 0.000 -7.811) 8.130 2.317 ( -6.931 -0.000 -1.095) 7.017 2.363 ( -6.177 -0.000 3.208) 6.961 2.610 ( -0.421 -0.000 1.899) 1.945 2.755 ( -4.943 -0.000 2.377) 5.485 2.794 ( -2.535 -0.000 1.306) 2.852 2.892 ( 3.265 0.000 -5.845) 6.695 2.928 ( 0.809 0.000 0.472) 0.937 3.179 ( -4.306 -0.000 1.090) 4.442 3.200 ( -0.556 -0.000 -0.175) 0.583 3.309 ( 0.069 0.000 4.401) 4.401 3.359 ( -2.892 -0.000 -2.415) 3.768 3.435 ( 3.670 0.000 -0.522) 3.707 3.685 ( 1.775 0.000 -3.182) 3.644 3.918 ( -6.156 -0.000 0.495) 6.176 4.278 ( -0.059 -0.000 0.543) 0.547 4.471 ( -2.230 -0.000 1.305) 2.583 4.762 ( 5.666 0.000 -1.853) 5.961 5.481 ( 4.704 0.000 1.048) 4.819 7.689 ( -3.133 -0.000 0.674) 3.204 7.912 ( 6.857 0.000 -0.719) 6.895 7.958 ( -0.533 -0.000 4.826) 4.856 8.530 ( -2.764 -0.000 -5.222) 5.908 9.155 ( -9.238 -0.000 2.363) 9.535 9.399 ( -2.853 -0.000 2.030) 3.502 17.934 ( 0.617 0.000 2.405) 2.483 18.032 ( -0.102 -0.000 0.708) 0.715 18.522 ( -0.273 -0.000 -16.763) 16.765 18.681 ( 10.365 0.000 -0.937) 10.408 19.405 ( -5.480 -0.000 6.478) 8.485 19.746 ( -1.412 -0.000 -1.616) 2.146 ======================= Grid point 86 (38/129) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 8.508 1.459 2.164) 8.899 1.324 ( 10.189 -3.639 5.910) 12.328 1.355 ( -3.823 1.128 -1.422) 4.232 1.495 ( 8.980 7.544 -2.102) 11.915 1.564 ( -6.312 8.434 -0.836) 10.567 1.665 ( -3.582 0.452 4.713) 5.937 1.783 ( 1.840 -0.394 -3.872) 4.305 1.847 ( -1.135 -6.975 0.345) 7.075 1.887 ( 2.905 -7.433 5.400) 9.636 2.070 ( -1.059 0.092 -1.217) 1.616 2.199 ( 0.263 -2.086 -0.653) 2.201 2.220 ( -0.395 1.457 2.430) 2.860 2.268 ( -5.972 -1.152 0.312) 6.091 2.347 ( 3.613 -3.081 -2.506) 5.369 2.587 ( -4.749 -2.949 2.014) 5.942 2.660 ( -5.718 -0.379 0.779) 5.783 2.724 ( -1.217 9.500 1.837) 9.752 2.868 ( -0.212 -1.686 -0.691) 1.835 3.028 ( 0.551 2.907 -2.601) 3.939 3.118 ( 2.086 -2.297 -2.336) 3.884 3.132 ( -8.392 0.792 3.299) 9.052 3.309 ( -0.493 0.912 2.976) 3.152 3.344 ( 1.896 -0.890 0.841) 2.257 3.512 ( 2.833 -2.477 -1.118) 3.926 3.691 ( 1.371 1.400 -3.937) 4.398 3.831 ( -4.571 0.184 0.346) 4.588 4.296 ( 0.027 -2.496 1.161) 2.753 4.457 ( -0.644 -0.687 0.011) 0.942 4.840 ( 6.991 2.671 -1.742) 7.684 5.530 ( 1.635 1.264 2.819) 3.495 7.637 ( -3.382 0.020 0.630) 3.440 7.954 ( -0.415 0.759 3.430) 3.538 8.042 ( 9.090 0.477 -0.722) 9.131 8.488 ( -1.696 -2.037 -4.368) 5.109 9.021 ( -7.906 0.534 -0.247) 7.928 9.378 ( -0.937 -0.978 1.757) 2.218 17.926 ( -2.406 -0.005 2.116) 3.204 18.034 ( 0.205 0.144 1.123) 1.151 18.425 ( -5.192 2.274 -10.493) 11.926 18.855 ( 9.595 -2.854 -1.884) 10.186 19.355 ( -2.239 0.364 3.800) 4.425 19.724 ( -1.016 -0.245 -1.672) 1.971 ======================= Grid point 87 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.068 10.946 -0.526) 12.074 1.215 ( -7.538 8.476 2.561) 11.629 1.375 ( -3.702 -0.649 -3.280) 4.989 1.511 ( 1.226 1.791 4.263) 4.783 1.558 ( 8.991 0.251 3.140) 9.526 1.611 ( -4.000 -0.591 2.730) 4.878 1.783 ( 0.354 2.185 -0.024) 2.214 1.934 ( 1.822 -6.655 -1.138) 6.993 1.993 ( 2.233 -2.510 4.324) 5.476 2.039 ( -2.499 0.925 -0.819) 2.787 2.156 ( -2.256 -2.345 2.323) 3.998 2.195 ( -5.046 -3.586 -1.777) 6.441 2.334 ( 5.710 -3.908 -2.298) 7.291 2.421 ( 0.270 -0.646 -0.135) 0.713 2.560 ( -5.011 -3.099 3.130) 6.672 2.573 ( -0.157 10.554 1.252) 10.629 2.621 ( -3.030 -4.301 1.122) 5.380 2.860 ( -5.889 6.097 -1.527) 8.613 2.931 ( -3.113 -0.031 1.971) 3.684 3.012 ( -1.615 -2.084 1.100) 2.857 3.218 ( 3.947 -1.286 -3.467) 5.409 3.302 ( -1.064 -0.725 2.803) 3.085 3.416 ( 3.904 -2.176 0.935) 4.566 3.554 ( 0.430 -1.641 -2.997) 3.444 3.670 ( -0.877 2.209 -2.741) 3.628 3.788 ( -1.517 -1.006 1.533) 2.380 4.333 ( -0.607 -3.784 1.511) 4.119 4.459 ( 0.342 -0.174 -1.076) 1.143 4.917 ( 7.823 3.050 -1.161) 8.476 5.515 ( -0.839 3.756 3.117) 4.952 7.589 ( -2.635 0.317 0.405) 2.684 7.940 ( -1.163 0.703 2.477) 2.826 8.170 ( 9.794 2.726 -1.314) 10.251 8.514 ( -0.001 -6.439 -3.997) 7.579 8.898 ( -6.120 1.565 1.538) 6.501 9.404 ( 0.509 -3.512 0.724) 3.622 17.874 ( -4.890 0.037 1.781) 5.204 18.038 ( 0.928 1.365 1.249) 2.070 18.272 ( -7.024 3.309 -5.594) 9.569 19.022 ( 7.990 -2.984 -4.152) 9.486 19.347 ( 0.001 -0.621 2.919) 2.984 19.712 ( -0.616 -0.692 -1.732) 1.965 ======================= Grid point 88 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -5.459 12.558 1.350) 13.760 1.052 ( 3.034 16.033 2.810) 16.558 1.336 ( -1.148 2.283 -2.113) 3.316 1.461 ( -4.957 2.240 3.663) 6.558 1.579 ( -3.173 0.219 4.007) 5.116 1.671 ( 4.680 1.575 2.204) 5.407 1.779 ( 2.172 1.379 3.472) 4.321 1.959 ( -4.223 2.727 0.953) 5.116 2.044 ( 2.916 -2.061 -1.950) 4.068 2.057 ( 1.993 -4.894 0.458) 5.304 2.170 ( -1.250 -2.185 -1.796) 3.093 2.194 ( 0.971 -2.875 0.856) 3.153 2.366 ( -4.962 0.327 1.100) 5.093 2.399 ( 0.054 7.914 3.691) 8.732 2.479 ( 1.385 -5.195 -0.409) 5.392 2.582 ( -2.094 -0.366 -1.774) 2.769 2.665 ( -0.594 -6.925 3.479) 7.772 2.708 ( -3.355 0.849 -1.625) 3.823 2.838 ( -5.997 0.214 2.718) 6.588 3.134 ( 6.405 -3.694 0.701) 7.427 3.240 ( 0.462 0.602 -3.763) 3.839 3.306 ( -1.602 -1.933 0.351) 2.535 3.480 ( 1.567 0.029 -1.360) 2.075 3.577 ( 2.436 -1.280 -3.274) 4.278 3.606 ( -3.325 0.600 -0.322) 3.394 3.800 ( -0.076 -1.200 3.849) 4.033 4.364 ( -1.159 -3.395 1.590) 3.924 4.473 ( 1.879 -0.160 -1.075) 2.171 4.995 ( 5.163 1.621 -2.113) 5.809 5.439 ( -2.447 5.838 2.355) 6.754 7.549 ( -1.699 0.981 0.565) 2.041 7.919 ( -1.181 0.576 1.984) 2.380 8.265 ( 7.865 5.004 -1.725) 9.480 8.578 ( -1.807 -6.843 -7.115) 10.036 8.849 ( -0.107 -2.437 8.913) 9.241 9.470 ( 0.698 -5.624 -0.231) 5.672 17.787 ( -5.867 0.708 1.640) 6.133 18.026 ( 2.002 6.443 -0.728) 6.786 18.135 ( -5.053 0.392 -0.492) 5.092 19.118 ( 3.949 0.609 -9.696) 10.487 19.397 ( 1.579 -4.458 4.945) 6.843 19.713 ( 0.061 -1.148 -1.533) 1.916 ======================= Grid point 89 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.895 12.177 4.949) 13.175 0.926 ( 3.473 17.323 5.446) 18.488 1.258 ( 0.993 10.286 -0.495) 10.345 1.337 ( -3.148 9.939 2.933) 10.830 1.520 ( -3.095 1.449 5.976) 6.884 1.694 ( 1.329 2.181 1.174) 2.811 1.812 ( -0.871 0.594 0.594) 1.210 1.874 ( 0.986 2.339 2.282) 3.414 2.053 ( 1.060 3.972 -2.519) 4.821 2.129 ( -1.355 -2.154 0.211) 2.553 2.171 ( -0.000 0.672 -2.733) 2.814 2.243 ( 0.773 -3.989 0.409) 4.084 2.310 ( -3.543 -3.775 0.638) 5.217 2.387 ( 2.044 -1.058 6.245) 6.655 2.538 ( -0.636 -3.100 -2.767) 4.203 2.569 ( 1.726 -3.279 -0.812) 3.793 2.721 ( 0.747 -3.785 -1.060) 4.001 2.753 ( -0.848 -6.048 4.135) 7.375 2.772 ( -2.562 -0.452 1.882) 3.211 3.211 ( -2.526 -0.076 -3.440) 4.268 3.229 ( 1.239 -1.261 -0.107) 1.771 3.286 ( -0.664 0.608 -3.346) 3.465 3.459 ( 0.257 3.412 -0.108) 3.423 3.570 ( -2.117 -0.844 -1.120) 2.539 3.650 ( 2.532 -3.683 -1.504) 4.716 3.834 ( 0.993 -2.142 6.698) 7.102 4.396 ( 0.698 -2.814 1.909) 3.472 4.514 ( 2.656 -0.635 0.113) 2.733 4.985 ( -3.663 2.445 -6.042) 7.477 5.330 ( -2.215 6.736 0.475) 7.107 7.525 ( 0.477 1.466 1.113) 1.901 7.909 ( -0.182 0.065 2.455) 2.462 8.264 ( 0.926 6.756 -2.294) 7.194 8.581 ( -1.220 -3.215 -5.757) 6.706 9.007 ( 4.383 -11.459 13.176) 18.004 9.538 ( -1.098 -6.257 -0.741) 6.396 17.710 ( -1.249 1.826 1.040) 2.445 17.947 ( 0.860 8.283 -1.555) 8.471 18.118 ( 0.733 -0.659 2.126) 2.343 19.076 ( 0.024 6.087 -15.103) 16.284 19.502 ( -0.206 -7.780 6.194) 9.947 19.732 ( 0.866 -1.456 -1.168) 2.057 ======================= Grid point 90 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 4.803 9.787 7.317) 13.130 0.776 ( 1.187 16.521 9.952) 19.323 1.119 ( -1.403 13.646 0.632) 13.733 1.236 ( 10.365 15.154 4.975) 19.021 1.507 ( 1.334 1.044 5.116) 5.389 1.696 ( 0.528 -0.114 -0.034) 0.541 1.775 ( -0.883 -0.572 -0.398) 1.125 1.889 ( -2.181 3.030 0.383) 3.753 2.012 ( 4.042 5.738 0.106) 7.019 2.098 ( -3.261 1.241 -0.496) 3.524 2.109 ( -1.654 1.729 -4.400) 5.009 2.286 ( -1.863 -4.856 -2.767) 5.891 2.362 ( 1.630 -3.983 2.687) 5.074 2.468 ( 1.045 -5.030 6.346) 8.165 2.585 ( 0.982 -2.745 -2.949) 4.147 2.631 ( 1.232 -2.779 1.211) 3.272 2.703 ( -3.643 -0.744 -1.855) 4.155 2.806 ( 3.750 -5.097 0.565) 6.353 2.852 ( 1.998 -5.226 2.347) 6.067 3.162 ( -3.801 -2.974 -1.575) 5.077 3.222 ( -0.779 0.304 -2.735) 2.860 3.287 ( 2.806 1.784 -1.245) 3.550 3.422 ( -0.184 3.952 0.939) 4.066 3.541 ( -1.200 0.196 -0.694) 1.400 3.674 ( -2.875 -1.474 -1.639) 3.623 3.929 ( 2.109 -5.501 6.720) 8.937 4.466 ( 2.697 -3.621 1.186) 4.668 4.554 ( 0.639 0.504 2.970) 3.079 4.786 ( -9.601 7.678 -8.794) 15.115 5.243 ( 1.820 6.016 -2.407) 6.730 7.546 ( 3.394 0.473 0.721) 3.502 7.925 ( 0.761 -0.347 3.544) 3.641 8.146 ( -5.060 5.970 -1.567) 7.981 8.593 ( -0.312 -2.699 -4.327) 5.110 9.246 ( 0.298 -14.316 15.308) 20.961 9.557 ( -4.923 -4.902 -0.869) 7.002 17.755 ( 8.079 -0.984 -1.440) 8.265 17.886 ( 2.575 5.831 -0.126) 6.376 18.160 ( 4.275 0.944 1.178) 4.533 18.916 ( -0.805 11.949 -18.455) 22.000 19.571 ( -5.159 -7.707 7.293) 11.798 19.763 ( 0.996 -1.570 -0.939) 2.083 ======================= Grid point 94 (43/129) ======================= q-point: ( 0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 5.208 0.000 -0.499) 5.232 1.288 ( -2.966 -0.000 -0.584) 3.022 1.443 ( 2.750 0.000 3.510) 4.459 1.502 ( -9.632 -0.000 4.726) 10.729 1.574 ( -0.579 -0.000 0.351) 0.677 1.708 ( 8.448 0.000 -5.937) 10.326 1.746 ( -2.411 -0.000 1.511) 2.846 1.828 ( 2.225 0.000 -1.110) 2.487 1.964 ( 8.563 0.000 7.333) 11.274 2.048 ( -1.901 -0.000 -0.538) 1.976 2.132 ( -2.834 -0.000 2.586) 3.837 2.133 ( -7.807 -0.000 0.532) 7.825 2.336 ( 0.775 0.000 -3.782) 3.861 2.346 ( 6.831 0.000 0.554) 6.854 2.490 ( -5.927 -0.000 1.467) 6.106 2.572 ( -4.676 -0.000 0.685) 4.726 2.802 ( 0.373 0.000 1.610) 1.652 2.863 ( 3.395 0.000 -0.578) 3.444 2.982 ( -11.113 -0.000 1.695) 11.241 3.006 ( -6.121 -0.000 -1.163) 6.231 3.164 ( 6.930 0.000 -1.951) 7.199 3.299 ( -2.915 -0.000 5.552) 6.271 3.377 ( 3.004 0.000 -1.098) 3.198 3.525 ( 1.012 0.000 -1.744) 2.016 3.718 ( 2.008 0.000 -2.753) 3.407 3.759 ( -4.395 -0.000 -0.471) 4.420 4.288 ( 0.127 0.000 2.000) 2.004 4.455 ( 0.811 0.000 -1.180) 1.431 4.959 ( 6.848 0.000 -2.378) 7.249 5.559 ( -0.202 -0.000 4.248) 4.253 7.595 ( -2.223 -0.000 0.519) 2.283 7.948 ( -1.490 -0.000 3.294) 3.615 8.203 ( 10.857 0.000 -2.475) 11.136 8.435 ( -1.507 -0.000 -3.821) 4.108 8.917 ( -6.267 -0.000 1.267) 6.394 9.360 ( -0.688 -0.000 0.680) 0.967 17.880 ( -4.222 -0.000 2.376) 4.845 18.040 ( 0.154 0.000 1.697) 1.704 18.329 ( -5.430 -0.000 -6.944) 8.815 18.972 ( 7.891 0.000 -2.232) 8.201 19.344 ( -0.563 -0.000 2.185) 2.257 19.705 ( -0.571 -0.000 -1.973) 2.054 ======================= Grid point 96 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.951 3.105 0.870) 7.663 1.305 ( 1.495 -0.820 -5.172) 5.446 1.345 ( 1.066 8.193 3.493) 8.970 1.460 ( -3.954 -2.305 3.473) 5.745 1.600 ( 0.243 2.290 2.983) 3.769 1.704 ( 3.312 2.916 4.410) 6.239 1.818 ( 2.587 -0.218 -1.021) 2.790 1.897 ( 3.036 -5.854 -0.764) 6.638 1.994 ( -3.749 0.781 0.097) 3.831 2.046 ( -3.646 -1.344 0.017) 3.886 2.106 ( 6.441 -0.519 3.061) 7.150 2.138 ( 0.655 -1.622 3.699) 4.092 2.329 ( -1.633 -1.821 -1.223) 2.735 2.402 ( -4.442 0.417 -1.104) 4.597 2.475 ( 4.554 -4.542 0.117) 6.433 2.541 ( -1.703 -2.985 0.266) 3.447 2.722 ( 0.411 11.358 1.523) 11.467 2.799 ( -9.105 3.337 0.463) 9.708 2.886 ( -4.668 3.984 0.370) 6.148 2.991 ( 3.623 -7.550 0.470) 8.387 3.260 ( -0.383 0.090 -0.754) 0.850 3.267 ( 1.987 -1.284 1.043) 2.586 3.427 ( 1.099 -3.671 -0.762) 3.907 3.534 ( 0.474 -0.438 -2.006) 2.107 3.668 ( -3.057 2.907 -1.781) 4.579 3.761 ( 0.830 -2.090 0.209) 2.259 4.303 ( -0.192 -1.508 2.390) 2.833 4.472 ( 1.755 -0.029 -1.281) 2.173 5.036 ( 4.623 1.341 -2.582) 5.462 5.537 ( -2.335 2.353 3.740) 4.998 7.569 ( -0.903 0.547 0.642) 1.236 7.929 ( -1.633 0.244 2.184) 2.738 8.348 ( 9.507 2.114 -2.881) 10.157 8.438 ( 0.177 -3.948 -3.403) 5.215 8.833 ( -4.944 0.067 4.355) 6.589 9.367 ( -0.479 -2.680 -0.400) 2.751 17.814 ( -3.948 1.056 2.287) 4.683 18.055 ( 0.429 -1.057 2.305) 2.572 18.226 ( -2.810 4.090 -4.117) 6.448 19.078 ( 4.395 -2.361 -3.666) 6.191 19.347 ( 0.008 -0.515 1.683) 1.760 19.698 ( 0.267 -0.260 -1.860) 1.897 ======================= Grid point 97 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -3.444 7.390 0.584) 8.174 1.249 ( -0.736 6.404 1.063) 6.534 1.368 ( 6.411 4.508 -1.346) 7.953 1.436 ( -1.021 1.186 2.073) 2.597 1.560 ( -2.287 2.025 5.475) 6.269 1.719 ( -1.358 0.861 5.058) 5.307 1.865 ( 3.784 1.764 0.675) 4.229 1.907 ( -3.720 0.742 0.480) 3.823 2.029 ( 3.167 -6.462 0.654) 7.226 2.037 ( -1.366 -2.684 -1.064) 3.194 2.174 ( -0.072 -1.732 3.610) 4.004 2.193 ( 3.173 1.460 0.106) 3.494 2.301 ( -2.443 -0.408 -0.349) 2.502 2.376 ( -1.760 -6.243 -1.121) 6.583 2.520 ( 0.369 6.838 1.173) 6.948 2.562 ( -0.336 -1.364 -0.514) 1.496 2.646 ( 1.463 3.372 1.841) 4.111 2.679 ( -1.310 -0.922 0.235) 1.619 2.803 ( -0.416 3.062 1.505) 3.437 3.098 ( -1.730 -6.819 -1.309) 7.156 3.223 ( -2.602 -0.893 -1.296) 3.041 3.315 ( 2.707 1.252 -0.035) 2.983 3.492 ( -0.689 -6.484 -2.741) 7.073 3.528 ( 0.376 2.213 -0.685) 2.347 3.607 ( 0.050 0.922 -2.080) 2.275 3.797 ( 0.609 -1.530 2.560) 3.044 4.328 ( -0.192 -2.526 2.436) 3.515 4.507 ( 2.863 -0.174 -0.103) 2.870 5.043 ( -0.552 2.480 -3.572) 4.383 5.457 ( -3.767 4.099 2.081) 5.943 7.557 ( 0.526 1.231 1.022) 1.684 7.910 ( -0.966 0.036 1.586) 1.857 8.395 ( 0.768 3.924 -2.829) 4.898 8.500 ( 2.882 -3.260 -4.695) 6.401 8.827 ( 0.236 -4.463 9.278) 10.298 9.399 ( -1.080 -5.095 -1.461) 5.409 17.759 ( -0.808 2.196 1.894) 3.010 18.079 ( -1.431 -1.053 1.865) 2.576 18.144 ( 3.175 6.633 -1.611) 7.529 19.123 ( -0.092 -1.328 -6.916) 7.043 19.371 ( -0.225 -3.030 2.870) 4.179 19.710 ( 1.117 -0.540 -1.361) 1.841 ======================= Grid point 98 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.893 8.138 0.731) 8.387 1.137 ( -0.927 12.137 4.289) 12.906 1.368 ( -1.188 7.715 0.852) 7.852 1.423 ( 5.161 3.822 -2.527) 6.901 1.556 ( 3.273 1.357 7.376) 8.182 1.679 ( -4.370 -0.565 3.545) 5.656 1.788 ( -4.178 2.502 1.610) 5.129 1.956 ( 4.407 1.122 1.612) 4.825 2.035 ( -3.574 -3.985 -0.742) 5.404 2.123 ( -0.118 -2.243 -0.598) 2.324 2.170 ( 1.173 2.483 -0.768) 2.852 2.213 ( 1.389 -0.698 0.746) 1.724 2.300 ( 2.820 0.564 0.170) 2.881 2.395 ( -2.075 -0.226 3.400) 3.990 2.524 ( 4.548 -2.511 -1.283) 5.351 2.558 ( -1.130 -1.909 0.767) 2.347 2.673 ( 0.495 -3.659 2.959) 4.731 2.698 ( 1.658 -0.101 -1.961) 2.570 2.822 ( 4.292 1.164 1.864) 4.822 3.082 ( -5.627 -3.686 -2.130) 7.056 3.203 ( -1.726 -1.900 -2.490) 3.577 3.330 ( 1.208 1.234 -0.409) 1.775 3.461 ( -3.822 -0.481 -0.659) 3.908 3.562 ( 2.971 0.850 -2.745) 4.134 3.625 ( 0.370 -2.173 -0.957) 2.402 3.836 ( 0.676 -2.558 3.965) 4.767 4.374 ( 0.598 -3.939 1.845) 4.391 4.560 ( 2.847 -0.101 2.685) 3.915 4.929 ( -6.671 5.379 -5.006) 9.925 5.358 ( -2.402 3.972 -0.545) 4.674 7.566 ( 2.078 1.158 1.120) 2.630 7.912 ( 0.176 -0.682 1.922) 2.047 8.282 ( -6.281 5.472 -2.088) 8.588 8.552 ( 1.600 -1.539 -4.450) 4.973 8.980 ( 4.486 -8.798 11.382) 15.070 9.428 ( -2.941 -5.690 -2.455) 6.859 17.765 ( 4.187 1.416 0.522) 4.451 18.024 ( -0.674 4.730 -0.130) 4.779 18.189 ( 6.753 2.307 1.189) 7.234 19.068 ( -3.196 2.121 -10.153) 10.854 19.414 ( -2.148 -5.215 4.563) 7.255 19.735 ( 1.251 -0.860 -0.918) 1.774 ======================= Grid point 99 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 2.319 6.719 3.003) 7.716 1.017 ( 4.712 13.406 8.147) 16.380 1.200 ( -4.796 10.124 0.503) 11.214 1.465 ( 5.032 2.245 -2.120) 5.904 1.629 ( -4.041 -3.844 2.172) 5.985 1.651 ( 6.385 3.105 6.277) 9.476 1.750 ( 0.452 -0.628 0.158) 0.790 1.966 ( 2.453 7.567 2.559) 8.356 2.013 ( -4.153 -3.322 -1.199) 5.452 2.057 ( -2.134 6.190 -4.497) 7.943 2.186 ( 3.358 1.020 -1.768) 3.930 2.243 ( 1.456 -0.302 0.696) 1.642 2.360 ( 1.358 -1.682 2.787) 3.527 2.431 ( 0.526 -5.169 4.493) 6.869 2.552 ( -4.448 -5.359 0.681) 6.998 2.586 ( 1.979 0.979 1.933) 2.934 2.743 ( 6.682 1.649 -4.133) 8.028 2.780 ( 2.389 -7.015 1.301) 7.524 2.885 ( 4.553 0.237 0.952) 4.658 3.046 ( -3.661 -4.042 -1.014) 5.547 3.193 ( -0.794 -1.344 -3.661) 3.980 3.320 ( -1.319 0.533 0.785) 1.625 3.412 ( -3.186 -0.386 1.008) 3.364 3.575 ( 2.258 1.690 -3.871) 4.790 3.623 ( -1.196 1.236 -0.373) 1.760 3.894 ( -0.712 -4.884 3.694) 6.165 4.438 ( 0.369 -4.499 -0.419) 4.533 4.587 ( -0.246 2.028 5.250) 5.633 4.726 ( -6.797 6.472 -3.343) 9.963 5.317 ( 2.586 1.719 -3.383) 4.592 7.602 ( 3.172 0.065 0.548) 3.220 7.937 ( 0.714 -1.108 2.919) 3.202 8.095 ( -8.535 5.070 -0.869) 9.965 8.565 ( 0.224 -0.492 -3.478) 3.520 9.173 ( 2.482 -8.339 10.915) 13.959 9.415 ( -5.047 -4.230 -3.387) 7.405 17.851 ( 5.994 -1.390 -1.407) 6.312 17.977 ( 1.300 4.216 0.400) 4.430 18.285 ( 8.859 2.351 -0.386) 9.173 18.939 ( -3.595 5.030 -11.474) 13.034 19.436 ( -4.311 -4.865 6.058) 8.886 19.758 ( 0.492 -0.923 -0.759) 1.292 ======================= Grid point 104 (48/129) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -4.564 -0.000 -0.143) 4.566 1.269 ( -1.892 -0.000 -4.525) 4.905 1.438 ( 1.283 -0.000 3.907) 4.112 1.447 ( 3.185 -0.000 4.128) 5.213 1.639 ( 0.757 -0.000 2.128) 2.258 1.747 ( -1.321 -0.000 5.163) 5.329 1.873 ( 3.979 0.000 1.256) 4.172 1.899 ( 2.452 -0.000 0.260) 2.465 1.957 ( -1.628 -0.000 0.711) 1.777 1.979 ( -1.180 -0.000 -1.607) 1.994 2.149 ( 0.273 -0.000 4.767) 4.775 2.211 ( 4.483 -0.000 0.248) 4.490 2.256 ( -5.726 -0.000 1.047) 5.821 2.339 ( -2.380 -0.000 -0.944) 2.561 2.518 ( 0.773 -0.000 1.210) 1.436 2.558 ( 7.762 -0.000 -3.526) 8.525 2.679 ( -7.750 -0.000 2.302) 8.084 2.812 ( 0.275 -0.000 0.746) 0.795 2.881 ( -0.177 -0.000 -0.563) 0.591 2.955 ( 0.044 0.000 0.071) 0.084 3.212 ( -3.101 -0.000 0.612) 3.160 3.328 ( 1.768 -0.000 -0.719) 1.908 3.379 ( -0.981 -0.000 -1.496) 1.789 3.554 ( 1.675 -0.000 -1.014) 1.958 3.632 ( -1.929 -0.000 -2.124) 2.869 3.772 ( 1.565 -0.000 -0.084) 1.567 4.297 ( -0.425 -0.000 2.713) 2.746 4.505 ( 2.758 -0.000 -0.484) 2.800 5.076 ( 0.368 -0.000 -2.803) 2.827 5.506 ( -4.473 -0.000 2.227) 4.997 7.573 ( 0.592 -0.000 1.043) 1.199 7.910 ( -1.343 -0.000 1.289) 1.861 8.421 ( 1.678 -0.000 -1.516) 2.261 8.476 ( 4.276 0.000 -3.923) 5.803 8.781 ( -1.891 -0.000 6.454) 6.725 9.336 ( -0.985 -0.000 -1.403) 1.714 17.790 ( -0.738 -0.000 2.234) 2.353 18.056 ( 0.108 -0.000 2.709) 2.711 18.236 ( 1.714 -0.000 -2.714) 3.210 19.088 ( -0.114 -0.000 -3.620) 3.622 19.345 ( -0.214 -0.000 1.036) 1.058 19.704 ( 1.162 -0.000 -1.402) 1.821 ======================= Grid point 106 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.062 2.338 -3.446) 4.165 1.233 ( -2.034 -0.605 -2.764) 3.485 1.460 ( 1.197 1.007 1.695) 2.306 1.517 ( 3.273 -0.424 5.679) 6.568 1.610 ( -0.262 5.854 3.616) 6.886 1.708 ( -1.524 3.782 4.236) 5.880 1.885 ( -2.598 4.275 0.015) 5.002 1.940 ( 3.265 -0.664 2.335) 4.068 1.968 ( -2.453 -1.893 -0.601) 3.156 2.010 ( 3.102 -4.986 2.147) 6.253 2.169 ( 0.728 -0.139 4.536) 4.596 2.200 ( -3.678 -3.748 3.738) 6.446 2.271 ( 3.304 -0.962 -3.040) 4.592 2.341 ( 2.422 -2.656 -2.229) 4.230 2.540 ( -1.231 0.138 2.342) 2.650 2.580 ( -2.330 0.053 1.590) 2.821 2.652 ( 4.140 3.177 -3.794) 6.452 2.771 ( 2.486 5.325 0.941) 5.952 2.886 ( 4.317 4.058 0.113) 5.926 2.977 ( -3.279 -5.245 -0.111) 6.186 3.171 ( -2.122 -0.435 -0.954) 2.366 3.305 ( -3.650 -3.533 -1.639) 5.338 3.417 ( 0.889 -1.905 0.270) 2.119 3.549 ( -0.703 -0.080 -1.342) 1.517 3.636 ( 3.322 1.154 -3.089) 4.680 3.798 ( 0.741 -0.945 1.129) 1.648 4.306 ( -0.494 -1.679 2.560) 3.101 4.554 ( 3.034 -0.250 1.468) 3.379 5.026 ( -4.133 2.549 -3.021) 5.718 5.420 ( -5.110 1.375 -0.337) 5.302 7.590 ( 1.721 0.709 1.423) 2.343 7.899 ( -0.590 -0.334 0.882) 1.113 8.394 ( -5.128 4.507 -1.607) 7.014 8.494 ( 0.745 -3.660 -1.767) 4.132 8.851 ( 5.926 -2.564 6.609) 9.240 9.328 ( -1.389 -2.462 -2.331) 3.663 17.801 ( 2.356 1.166 1.483) 3.018 18.066 ( -0.393 -0.047 2.622) 2.652 18.271 ( 6.407 3.178 -1.935) 7.409 19.053 ( -4.386 -1.741 -4.606) 6.594 19.350 ( -0.212 -0.839 1.707) 1.914 19.723 ( 1.391 -0.195 -0.877) 1.656 ======================= Grid point 107 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.731 3.577 -3.569) 5.106 1.220 ( 2.567 1.846 -0.603) 3.219 1.413 ( -4.031 6.673 -0.272) 7.800 1.516 ( -4.438 -0.315 2.421) 5.065 1.577 ( -0.520 4.185 6.131) 7.442 1.678 ( 1.032 1.964 5.646) 6.067 1.784 ( 0.650 3.102 -1.474) 3.496 1.930 ( -3.695 -2.684 1.032) 4.682 2.023 ( 2.095 -0.521 3.825) 4.393 2.107 ( 3.719 -2.346 -0.242) 4.404 2.210 ( 2.799 -0.003 0.448) 2.835 2.229 ( 0.226 -2.950 4.592) 5.462 2.328 ( 2.619 -2.596 -0.979) 3.816 2.408 ( 0.192 -0.677 -1.629) 1.774 2.475 ( -4.191 2.081 0.905) 4.766 2.593 ( 4.127 1.095 0.785) 4.341 2.658 ( 1.279 -1.951 2.973) 3.779 2.810 ( 7.104 3.028 -3.560) 8.504 2.910 ( 3.163 1.643 1.356) 3.813 2.979 ( -1.246 -2.168 -0.930) 2.668 3.155 ( -0.575 -1.010 -2.160) 2.453 3.288 ( -4.095 -3.384 -0.949) 5.396 3.423 ( -0.225 1.014 1.149) 1.549 3.556 ( -0.788 -2.788 -1.908) 3.469 3.664 ( 3.469 1.945 -3.131) 5.062 3.819 ( -0.522 -1.574 1.852) 2.486 4.337 ( -0.068 -3.654 1.678) 4.021 4.602 ( 1.342 -0.220 4.726) 4.917 4.879 ( -6.872 5.908 -2.947) 9.529 5.342 ( -2.124 0.458 -3.487) 4.109 7.617 ( 2.545 1.047 1.326) 3.054 7.907 ( 0.164 -1.233 1.321) 1.815 8.210 ( -9.805 4.697 -0.666) 10.892 8.545 ( 1.514 -1.800 -1.554) 2.819 9.013 ( 5.745 -5.270 6.107) 9.903 9.329 ( -1.618 -2.733 -2.865) 4.278 17.842 ( 3.634 0.355 0.032) 3.651 18.053 ( -0.375 1.914 1.782) 2.642 18.356 ( 9.649 3.532 -1.760) 10.425 18.969 ( -6.792 -1.587 -5.872) 9.117 19.364 ( -0.688 -1.370 3.314) 3.651 19.744 ( 1.083 -0.284 -0.546) 1.245 ======================= Grid point 108 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.816 1.585 1.087) 2.644 1.192 ( -7.899 9.802 2.003) 12.747 1.274 ( 7.766 6.064 1.146) 9.919 1.433 ( -10.201 -4.907 3.605) 11.880 1.558 ( 2.677 1.260 0.697) 3.040 1.699 ( 0.094 -0.777 3.060) 3.158 1.832 ( 5.179 0.782 -2.217) 5.688 1.907 ( -3.891 -3.645 -0.021) 5.331 2.041 ( 0.679 2.429 3.032) 3.944 2.164 ( 3.677 3.637 -1.779) 5.469 2.231 ( 3.227 3.313 -2.004) 5.040 2.259 ( -0.820 -0.347 3.406) 3.520 2.358 ( -6.812 -6.455 1.587) 9.517 2.386 ( -0.727 -0.159 1.335) 1.528 2.435 ( 1.272 0.583 2.832) 3.159 2.655 ( 4.359 -0.016 2.344) 4.949 2.751 ( 1.730 -3.953 1.323) 4.513 2.885 ( 7.073 1.780 -1.831) 7.520 2.961 ( 3.747 1.216 -0.954) 4.054 2.987 ( 1.082 -2.001 -1.184) 2.565 3.165 ( 0.987 -1.624 -2.935) 3.497 3.239 ( -5.347 -1.544 0.646) 5.603 3.405 ( -0.417 2.333 1.972) 3.083 3.555 ( -1.332 -1.313 -2.314) 2.975 3.681 ( 3.043 2.682 -2.932) 5.005 3.827 ( -2.413 -3.002 1.819) 4.260 4.390 ( 0.346 -4.385 -0.059) 4.399 4.612 ( -1.239 1.600 6.291) 6.609 4.700 ( -5.166 6.005 -1.028) 7.988 5.340 ( 2.042 -2.004 -5.157) 5.898 7.653 ( 2.967 0.561 0.623) 3.083 7.936 ( 0.319 -1.787 2.402) 3.011 8.009 ( -8.613 3.870 0.011) 9.442 8.571 ( 1.471 0.445 -1.007) 1.837 9.138 ( -1.092 -6.031 1.689) 6.358 9.334 ( 1.119 -0.874 -0.487) 1.501 17.897 ( 2.453 -1.550 -1.253) 3.160 18.028 ( 0.147 2.655 1.186) 2.911 18.458 ( 8.492 3.522 -3.535) 9.850 18.867 ( -5.028 -0.806 -5.985) 7.858 19.371 ( -1.559 -0.988 4.739) 5.086 19.758 ( 0.558 -0.012 -0.405) 0.689 ======================= Grid point 114 (52/129) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -1.427 -0.000 -5.498) 5.680 1.210 ( 1.980 0.000 -3.562) 4.076 1.453 ( -10.370 -0.000 4.668) 11.372 1.503 ( 2.292 0.000 1.380) 2.676 1.662 ( 3.239 0.000 3.269) 4.602 1.789 ( 2.562 0.000 2.552) 3.617 1.822 ( -10.064 -0.000 0.116) 10.065 1.907 ( -1.514 -0.000 2.189) 2.661 1.994 ( -0.017 -0.000 7.685) 7.685 2.064 ( 6.678 0.000 -0.777) 6.723 2.157 ( 1.522 0.000 1.922) 2.452 2.211 ( 2.640 0.000 7.061) 7.538 2.322 ( 4.798 0.000 -4.057) 6.283 2.330 ( -2.393 -0.000 0.641) 2.478 2.507 ( -1.480 -0.000 2.684) 3.065 2.587 ( 3.464 0.000 1.294) 3.698 2.761 ( 5.164 0.000 -8.696) 10.113 2.789 ( -1.992 -0.000 0.810) 2.150 2.916 ( -0.951 -0.000 2.141) 2.343 2.990 ( 4.256 0.000 -1.923) 4.671 3.153 ( 0.758 0.000 -0.435) 0.874 3.215 ( -2.401 -0.000 -0.602) 2.475 3.432 ( 1.311 0.000 1.770) 2.203 3.520 ( -1.809 -0.000 -2.111) 2.780 3.688 ( 3.233 0.000 -3.706) 4.918 3.804 ( 0.254 0.000 0.955) 0.988 4.292 ( -0.635 -0.000 2.338) 2.423 4.596 ( 1.539 0.000 3.890) 4.183 4.955 ( -6.050 -0.000 -2.579) 6.577 5.344 ( -4.204 -0.000 -3.715) 5.610 7.633 ( 2.695 0.000 1.955) 3.329 7.891 ( -0.279 -0.000 0.670) 0.725 8.279 ( -11.567 -0.000 -0.038) 11.567 8.507 ( 3.648 0.000 -0.631) 3.702 8.950 ( 5.592 0.000 3.373) 6.531 9.299 ( 0.418 0.000 -2.135) 2.175 17.850 ( 2.471 0.000 0.585) 2.539 18.070 ( -0.247 -0.000 3.013) 3.023 18.408 ( 9.710 0.000 -3.390) 10.285 18.935 ( -7.659 -0.000 -3.784) 8.543 19.353 ( 0.374 0.000 2.445) 2.473 19.742 ( 1.285 0.000 -0.447) 1.361 ======================= Grid point 115 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -4.612 1.297 -2.453) 5.383 1.277 ( 2.741 -2.031 -4.808) 5.895 1.295 ( -9.544 -3.230 2.482) 10.377 1.446 ( -8.499 6.946 0.805) 11.006 1.687 ( -1.545 3.107 2.288) 4.156 1.697 ( 2.733 3.256 5.285) 6.783 1.821 ( 1.013 -1.443 0.622) 1.869 1.868 ( -3.258 0.966 1.833) 3.861 2.023 ( -2.495 -4.717 7.805) 9.454 2.141 ( -1.214 -1.449 0.611) 1.987 2.214 ( 2.902 -1.829 -1.674) 3.817 2.255 ( -2.268 -0.983 1.443) 2.862 2.286 ( 2.835 0.594 7.193) 7.755 2.391 ( 4.189 0.157 -1.242) 4.372 2.544 ( 3.491 2.889 -1.029) 4.647 2.667 ( 4.952 -0.595 -0.275) 4.995 2.694 ( 0.672 3.683 1.735) 4.126 2.840 ( -0.378 -5.395 -5.502) 7.714 2.943 ( 3.240 -1.101 0.613) 3.477 3.015 ( 2.278 1.451 -2.712) 3.827 3.169 ( 1.377 2.171 -0.563) 2.632 3.218 ( 0.462 -1.241 0.861) 1.579 3.451 ( -0.039 0.999 0.400) 1.077 3.500 ( -0.482 -2.057 0.246) 2.127 3.722 ( 3.386 0.873 -4.430) 5.644 3.802 ( -1.074 0.124 1.082) 1.530 4.303 ( -0.266 -2.398 1.567) 2.877 4.619 ( -0.543 -0.260 6.844) 6.870 4.828 ( -6.151 3.744 -2.294) 7.558 5.296 ( -0.879 -1.438 -6.603) 6.814 7.682 ( 3.586 1.278 2.124) 4.359 7.898 ( 0.011 -1.175 1.216) 1.692 8.085 ( -10.788 2.229 0.510) 11.028 8.566 ( 3.228 -0.588 -0.628) 3.341 9.018 ( -0.184 -3.370 -0.530) 3.416 9.332 ( 4.190 0.272 0.080) 4.200 17.878 ( 0.927 -0.276 -0.578) 1.127 18.068 ( -0.394 0.799 2.556) 2.707 18.543 ( 10.303 3.066 -5.396) 12.028 18.809 ( -8.285 -2.783 -3.930) 9.583 19.369 ( 0.530 0.272 4.417) 4.456 19.760 ( 1.225 0.107 -0.130) 1.236 ======================= Grid point 116 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -5.146 -0.690 2.118) 5.607 1.105 ( -13.648 3.525 1.294) 14.155 1.208 ( -12.193 -3.253 3.179) 13.014 1.427 ( 8.773 -2.854 -4.286) 10.172 1.630 ( -0.373 4.972 2.966) 5.801 1.735 ( 2.819 2.300 3.017) 4.726 1.803 ( -4.958 -1.865 0.474) 5.318 1.856 ( -2.833 -3.551 1.462) 4.772 2.027 ( -6.244 -5.893 3.446) 9.252 2.104 ( -5.009 -3.811 5.050) 8.069 2.222 ( 1.731 1.372 -2.874) 3.625 2.315 ( 4.164 3.674 -0.659) 5.592 2.329 ( 4.003 1.721 3.159) 5.382 2.427 ( 1.209 1.981 1.985) 3.054 2.493 ( 0.011 4.811 -1.296) 4.983 2.715 ( 2.367 -0.972 0.927) 2.722 2.768 ( 3.577 -0.025 2.034) 4.115 2.877 ( -1.788 -6.321 -3.785) 7.581 3.008 ( 2.920 0.321 0.347) 2.958 3.035 ( 1.758 -0.039 -2.004) 2.666 3.154 ( 1.162 1.708 -1.094) 2.338 3.236 ( 2.286 1.400 0.477) 2.723 3.416 ( -2.075 0.143 -0.629) 2.173 3.539 ( 2.423 0.316 1.604) 2.923 3.735 ( 0.303 2.240 -2.580) 3.430 3.785 ( 0.140 -0.209 -0.496) 0.556 4.350 ( 0.899 -4.474 0.115) 4.564 4.629 ( -0.114 0.892 7.906) 7.957 4.690 ( -4.020 4.647 -1.204) 6.261 5.312 ( 0.901 -3.794 -6.799) 7.838 7.718 ( 2.839 2.654 1.302) 4.099 7.906 ( -4.477 0.490 0.313) 4.514 7.940 ( -1.633 -0.887 2.707) 3.284 8.615 ( 3.334 0.519 0.156) 3.378 9.015 ( -5.143 -4.507 -4.298) 8.077 9.407 ( 5.675 1.441 1.995) 6.186 17.885 ( -0.865 -1.794 -1.484) 2.483 18.053 ( -0.575 1.792 1.692) 2.530 18.552 ( -2.958 4.007 -5.030) 7.079 18.794 ( 3.915 -3.961 -6.968) 8.920 19.383 ( 0.569 1.433 6.522) 6.702 19.773 ( 0.822 0.656 -0.114) 1.058 ======================= Grid point 123 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.874 -0.000 -0.291) 4.883 1.058 ( -14.984 -0.000 4.518) 15.650 1.248 ( -11.300 -0.000 -3.318) 11.777 1.404 ( 2.538 0.000 -1.514) 2.956 1.693 ( -6.893 -0.000 -0.687) 6.927 1.720 ( 2.383 0.000 1.026) 2.595 1.752 ( -11.425 -0.000 4.868) 12.419 1.884 ( 3.618 0.000 2.835) 4.596 1.937 ( -4.890 -0.000 9.990) 11.122 2.028 ( -4.420 -0.000 2.600) 5.128 2.251 ( 3.337 0.000 -3.419) 4.778 2.344 ( 2.124 0.000 7.781) 8.065 2.368 ( 8.886 0.000 -0.804) 8.922 2.460 ( 3.609 0.000 0.120) 3.611 2.584 ( -2.032 -0.000 -0.638) 2.129 2.718 ( -1.712 -0.000 -0.273) 1.734 2.750 ( 0.634 0.000 -6.267) 6.299 2.760 ( 6.059 0.000 1.362) 6.211 3.001 ( 3.626 0.000 -0.541) 3.666 3.036 ( 1.957 0.000 -3.273) 3.813 3.189 ( -0.096 -0.000 -0.002) 0.096 3.269 ( 4.054 0.000 1.084) 4.196 3.383 ( -4.968 -0.000 -1.804) 5.285 3.561 ( 5.256 0.000 3.358) 6.237 3.773 ( 3.965 0.000 -5.231) 6.564 3.783 ( -2.276 -0.000 1.081) 2.520 4.288 ( -0.122 -0.000 1.131) 1.138 4.632 ( 0.507 0.000 8.481) 8.496 4.755 ( -5.248 -0.000 -2.225) 5.700 5.260 ( 0.069 0.000 -8.116) 8.116 7.767 ( 5.181 0.000 3.242) 6.112 7.891 ( -0.199 -0.000 1.513) 1.526 7.945 ( -8.557 -0.000 0.774) 8.592 8.616 ( 3.535 0.000 -1.175) 3.725 8.952 ( -4.337 -0.000 -3.435) 5.533 9.428 ( 6.465 0.000 1.702) 6.685 17.865 ( -1.727 -0.000 -1.302) 2.163 18.073 ( -0.376 -0.000 2.527) 2.554 18.632 ( -9.803 -0.000 -3.050) 10.266 18.712 ( 10.226 0.000 -10.695) 14.797 19.403 ( 1.565 0.000 7.604) 7.764 19.781 ( 1.233 0.000 0.052) 1.234 ======================= Grid point 124 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -8.360 1.847 5.298) 10.068 0.878 ( -14.409 -2.846 3.646) 15.133 0.999 ( -13.591 -0.495 0.196) 13.602 1.463 ( -6.700 -5.323 0.231) 8.560 1.530 ( -9.441 -9.008 2.563) 13.298 1.632 ( -4.140 1.019 -1.573) 4.545 1.742 ( -2.546 -0.940 2.607) 3.763 1.860 ( 1.604 5.415 4.401) 7.160 1.985 ( 2.899 -2.075 3.069) 4.704 2.037 ( -0.411 -2.921 3.276) 4.408 2.274 ( 2.087 2.470 -2.506) 4.091 2.358 ( -2.606 -0.436 4.930) 5.594 2.448 ( 1.726 5.061 -3.688) 6.496 2.484 ( 1.564 2.671 1.911) 3.637 2.533 ( 3.227 2.816 0.570) 4.321 2.705 ( -2.259 -2.026 2.253) 3.779 2.758 ( -0.913 -2.365 -3.986) 4.724 2.869 ( 6.065 -0.174 -0.848) 6.126 3.002 ( -2.424 0.759 -0.682) 2.630 3.077 ( 3.256 -0.642 -3.083) 4.530 3.194 ( 0.798 0.568 -0.486) 1.093 3.299 ( 3.336 2.269 1.292) 4.236 3.371 ( 1.159 -3.122 -1.062) 3.495 3.624 ( 2.904 3.125 1.335) 4.470 3.726 ( -3.167 1.981 0.770) 3.814 3.811 ( 2.189 0.180 -3.167) 3.854 4.314 ( 0.703 -3.797 -0.025) 3.861 4.661 ( -3.515 2.693 -1.438) 4.656 4.697 ( 4.801 -0.014 8.745) 9.976 5.254 ( -0.645 -3.060 -7.293) 7.935 7.794 ( -2.570 5.806 1.832) 6.608 7.860 ( 1.166 -0.084 -0.255) 1.197 7.926 ( 1.448 -3.187 3.719) 5.107 8.674 ( 4.148 -1.122 -0.662) 4.348 8.876 ( -5.834 -2.156 -2.700) 6.780 9.522 ( 5.727 1.473 1.896) 6.210 17.829 ( -2.999 -1.498 -1.753) 3.783 18.067 ( -0.416 1.564 1.893) 2.490 18.460 ( -9.390 2.386 -2.901) 10.114 18.827 ( 6.350 -3.396 -16.610) 18.104 19.454 ( 3.196 2.003 10.900) 11.534 19.792 ( 0.551 0.694 -0.115) 0.893 ======================= Grid point 132 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -15.986 -0.000 6.484) 17.251 0.699 ( -15.748 -0.000 9.313) 18.296 0.804 ( -5.514 -0.000 -1.815) 5.805 1.053 ( -26.387 -0.000 12.548) 29.219 1.533 ( 2.407 0.000 0.193) 2.415 1.567 ( -2.620 -0.000 -4.489) 5.198 1.700 ( -3.077 -0.000 1.444) 3.399 1.914 ( 1.199 0.000 0.979) 1.548 2.018 ( 1.501 0.000 2.664) 3.058 2.049 ( 0.611 0.000 3.927) 3.974 2.263 ( -7.636 -0.000 3.852) 8.553 2.326 ( 2.647 0.000 -1.851) 3.231 2.469 ( 0.025 0.000 -2.487) 2.487 2.502 ( -0.913 -0.000 -0.216) 0.939 2.651 ( 3.940 0.000 0.580) 3.982 2.665 ( -1.508 -0.000 3.521) 3.830 2.740 ( 1.864 0.000 -1.666) 2.500 2.929 ( -5.792 -0.000 -2.362) 6.255 2.969 ( 6.550 0.000 -2.629) 7.058 3.123 ( 4.066 0.000 -1.867) 4.474 3.186 ( -1.030 -0.000 -0.992) 1.430 3.359 ( 1.094 0.000 2.411) 2.648 3.433 ( 8.707 0.000 -1.583) 8.850 3.654 ( -2.592 -0.000 -6.485) 6.984 3.676 ( -4.486 -0.000 0.840) 4.564 3.843 ( 2.427 0.000 3.506) 4.264 4.295 ( 0.209 0.000 -0.040) 0.213 4.619 ( -2.728 -0.000 -1.700) 3.215 4.841 ( 9.837 0.000 8.090) 12.736 5.190 ( -2.896 -0.000 -6.938) 7.518 7.751 ( -5.549 -0.000 -4.276) 7.005 7.895 ( -0.231 -0.000 3.068) 3.077 7.977 ( 5.980 0.000 2.122) 6.346 8.706 ( 2.586 0.000 -2.584) 3.656 8.821 ( 1.235 0.000 12.083) 12.146 9.615 ( 4.253 0.000 1.685) 4.574 17.764 ( -3.137 -0.000 -1.776) 3.605 18.087 ( 0.758 0.000 1.838) 1.988 18.338 ( -7.583 -0.000 -2.209) 7.899 18.759 ( -5.875 -0.000 -29.563) 30.142 19.580 ( 7.095 0.000 12.858) 14.686 19.803 ( 0.305 0.000 0.510) 0.595 ======================= Grid point 133 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -4.475 -0.000 13.833) 14.539 0.599 ( 1.185 0.000 14.385) 14.433 0.834 ( 0.699 0.000 3.670) 3.736 1.120 ( -2.132 -0.000 26.933) 27.017 1.429 ( 4.766 0.000 -9.071) 10.247 1.577 ( -0.880 -0.000 0.495) 1.010 1.615 ( 1.012 0.000 -4.078) 4.202 1.897 ( -1.631 -0.000 0.197) 1.643 1.997 ( -4.151 -0.000 4.119) 5.848 2.088 ( -4.134 -0.000 -0.584) 4.175 2.127 ( -2.046 -0.000 2.395) 3.149 2.405 ( -0.981 -0.000 0.432) 1.072 2.461 ( 0.223 0.000 2.861) 2.870 2.477 ( 5.441 0.000 -6.107) 8.179 2.511 ( -0.819 -0.000 -8.894) 8.931 2.722 ( 2.278 0.000 0.233) 2.290 2.845 ( 0.061 0.000 -2.700) 2.701 2.883 ( -1.352 -0.000 1.572) 2.073 3.049 ( 1.157 0.000 -1.254) 1.707 3.052 ( -1.644 -0.000 4.273) 4.579 3.226 ( 2.374 0.000 -0.998) 2.575 3.312 ( -1.341 -0.000 1.489) 2.004 3.405 ( -2.049 -0.000 3.329) 3.909 3.563 ( -1.455 -0.000 -0.559) 1.559 3.682 ( 0.235 0.000 -1.688) 1.705 4.154 ( 8.574 0.000 0.670) 8.600 4.289 ( 0.052 0.000 -0.493) 0.496 4.550 ( 0.598 0.000 -1.392) 1.515 4.689 ( -13.988 -0.000 2.511) 14.212 5.012 ( 0.954 0.000 -2.288) 2.479 7.520 ( -0.001 -0.000 1.975) 1.975 8.031 ( -0.348 -0.000 -1.595) 1.633 8.032 ( 0.043 0.000 7.947) 7.947 8.612 ( -0.463 -0.000 -7.653) 7.667 9.637 ( 0.362 0.000 -1.268) 1.319 9.968 ( 8.400 0.000 0.474) 8.414 17.640 ( -0.387 -0.000 -1.063) 1.131 17.755 ( -2.147 -0.000 0.748) 2.274 18.122 ( -3.352 -0.000 0.688) 3.422 18.191 ( 3.594 0.000 -0.836) 3.690 19.763 ( 1.573 0.000 -1.236) 2.000 19.887 ( -1.294 -0.000 0.456) 1.372 ======================= Grid point 134 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.889 -9.005 12.418) 15.609 0.764 ( 8.374 -7.470 12.034) 16.454 0.894 ( 2.619 -3.887 2.853) 5.488 1.238 ( 6.150 -2.959 18.857) 20.054 1.497 ( 5.203 1.058 -8.024) 9.621 1.617 ( 0.283 -6.008 -0.829) 6.072 1.644 ( 2.332 -4.280 -0.728) 4.928 1.869 ( -1.704 1.627 -0.159) 2.361 1.996 ( 1.964 -2.576 3.278) 4.608 2.024 ( -2.953 -0.060 1.244) 3.205 2.108 ( -2.621 -0.831 3.479) 4.434 2.331 ( -4.695 2.763 -0.417) 5.463 2.480 ( 1.559 1.531 0.825) 2.336 2.507 ( 1.271 -1.949 -6.054) 6.486 2.543 ( 5.390 1.287 -6.170) 8.293 2.719 ( -7.524 2.414 0.986) 7.963 2.758 ( 0.701 1.376 1.208) 1.961 2.870 ( 1.523 1.646 -0.100) 2.245 3.012 ( -1.463 3.954 0.343) 4.230 3.123 ( 3.355 -1.923 -0.446) 3.892 3.222 ( -0.382 2.797 -1.865) 3.384 3.333 ( 3.541 2.290 2.635) 4.973 3.390 ( -2.152 -1.602 3.620) 4.506 3.551 ( 0.260 1.071 0.297) 1.141 3.626 ( -6.054 -2.061 -2.663) 6.928 4.151 ( -1.406 5.393 0.617) 5.607 4.355 ( -2.645 -8.701 -4.405) 10.105 4.562 ( 1.664 0.622 -1.288) 2.194 4.621 ( 1.707 -0.996 6.882) 7.160 5.060 ( 3.795 -3.873 -2.466) 5.957 7.558 ( 3.555 -0.088 1.390) 3.818 8.009 ( -2.618 -1.361 -0.548) 3.001 8.053 ( -0.660 -0.343 7.028) 7.068 8.564 ( -1.517 1.794 -7.234) 7.606 9.573 ( -4.631 2.990 -1.700) 5.769 9.863 ( -10.055 10.160 4.163) 14.888 17.734 ( 9.988 0.894 -3.697) 10.688 17.811 ( 6.552 -0.675 -0.377) 6.598 18.116 ( -0.582 -4.451 0.170) 4.493 18.317 ( 5.347 -9.497 -3.831) 11.553 19.758 ( -1.573 1.027 -1.409) 2.348 19.823 ( -3.358 3.633 2.181) 5.407 ======================= Grid point 135 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 4.912 -8.408 10.203) 14.104 0.996 ( 3.551 -3.921 3.039) 6.101 1.027 ( 7.710 -8.846 10.371) 15.660 1.401 ( 7.186 0.986 3.042) 7.865 1.555 ( 3.847 -4.439 -6.868) 9.037 1.645 ( -2.329 -4.484 -4.296) 6.632 1.781 ( 1.422 -1.247 1.711) 2.551 1.826 ( 1.839 -2.718 7.456) 8.147 1.994 ( -1.032 -0.840 2.985) 3.268 2.054 ( -4.905 1.321 1.471) 5.289 2.147 ( 6.361 -3.597 4.030) 8.345 2.243 ( -1.898 0.199 -0.341) 1.938 2.472 ( -1.021 3.041 2.156) 3.865 2.538 ( -0.848 -3.190 -3.346) 4.700 2.570 ( 1.656 -1.316 -2.804) 3.512 2.613 ( 0.675 3.117 -1.641) 3.587 2.760 ( 1.624 3.704 2.576) 4.795 2.891 ( 4.108 2.517 -1.668) 5.099 2.932 ( -2.930 2.853 0.993) 4.208 3.123 ( -1.002 5.982 -3.586) 7.046 3.166 ( -1.778 0.222 -0.104) 1.795 3.357 ( 1.596 2.197 2.229) 3.513 3.406 ( -1.363 -3.882 2.221) 4.675 3.546 ( 1.160 1.516 -0.294) 1.931 3.555 ( -4.303 -0.967 -2.387) 5.015 4.057 ( -3.857 3.973 0.416) 5.553 4.368 ( -3.195 -5.558 -3.350) 7.233 4.573 ( 1.216 1.116 -0.911) 1.885 4.686 ( -0.081 -2.930 6.293) 6.942 5.193 ( 7.737 -2.888 -3.638) 9.025 7.622 ( 4.324 0.770 0.924) 4.488 7.972 ( -5.248 -3.093 -0.811) 6.146 8.059 ( -0.306 0.953 6.589) 6.664 8.507 ( -1.060 0.798 -5.425) 5.585 9.437 ( -7.380 3.307 -3.510) 8.816 9.592 ( -9.186 9.802 7.248) 15.264 17.849 ( 7.627 1.698 -2.625) 8.243 17.912 ( 5.322 -0.041 -0.913) 5.400 18.199 ( 3.712 -5.080 -1.394) 6.444 18.511 ( 5.178 -10.615 -7.251) 13.859 19.659 ( -6.139 4.299 2.650) 7.949 19.765 ( -0.800 1.676 -0.334) 1.887 ======================= Grid point 136 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 2.314 -3.317 8.059) 9.017 1.078 ( 1.464 -2.396 2.382) 3.682 1.252 ( 8.488 -3.426 9.662) 13.309 1.492 ( 5.618 -1.823 -2.090) 6.265 1.607 ( -3.881 1.523 -2.579) 4.903 1.641 ( -3.533 -6.931 -3.103) 8.376 1.728 ( 0.880 1.679 -1.980) 2.741 1.935 ( -2.255 1.692 -1.397) 3.147 1.991 ( 2.165 0.071 1.473) 2.619 2.077 ( 4.657 -8.899 9.409) 13.763 2.180 ( -1.004 -0.046 -0.047) 1.006 2.303 ( 1.930 -0.948 2.710) 3.459 2.400 ( -3.258 1.186 1.203) 3.669 2.516 ( -3.984 -1.884 2.910) 5.281 2.586 ( -0.197 5.438 -0.133) 5.443 2.698 ( 6.224 -4.419 2.648) 8.080 2.744 ( 2.388 2.958 -2.358) 4.473 2.867 ( 0.006 0.709 0.926) 1.166 2.939 ( 2.209 0.385 -1.712) 2.821 3.026 ( 0.054 4.620 -2.954) 5.484 3.141 ( -0.767 0.132 -0.943) 1.223 3.328 ( -3.046 3.323 1.669) 4.807 3.417 ( -1.809 -1.258 0.634) 2.293 3.487 ( 0.533 2.934 -3.521) 4.614 3.586 ( 1.154 -3.326 -0.407) 3.544 3.946 ( -4.525 3.657 0.189) 5.821 4.384 ( -0.691 -3.635 -1.543) 4.008 4.564 ( -0.618 0.829 -1.170) 1.562 4.724 ( -1.775 -3.919 7.323) 8.493 5.304 ( 6.244 1.588 -4.209) 7.696 7.670 ( 3.183 1.705 0.431) 3.636 7.918 ( -5.341 -2.662 -0.726) 6.011 8.061 ( 0.175 1.220 6.076) 6.200 8.498 ( 0.537 -2.033 -3.482) 4.068 9.242 ( -9.900 4.088 -3.947) 11.415 9.443 ( -1.585 4.789 4.513) 6.768 17.913 ( 4.379 2.598 -2.092) 5.505 17.975 ( 1.964 -1.576 -0.033) 2.518 18.313 ( 3.760 -4.507 -2.809) 6.507 18.659 ( 3.832 -5.832 -6.941) 9.842 19.527 ( -5.196 3.702 4.103) 7.585 19.744 ( -0.330 0.282 -0.921) 1.018 ======================= Grid point 137 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -4.395 0.659 6.915) 8.220 1.098 ( 0.318 3.855 3.345) 5.113 1.421 ( 1.907 0.700 2.522) 3.239 1.430 ( -2.552 5.727 2.384) 6.708 1.593 ( 1.511 -0.255 -1.523) 2.160 1.666 ( -0.824 -9.101 0.930) 9.185 1.781 ( 2.520 -3.246 -2.512) 4.817 1.868 ( -2.267 2.687 -1.336) 3.761 2.026 ( 1.578 -1.232 -1.068) 2.269 2.186 ( 1.664 -1.616 -0.718) 2.428 2.268 ( 0.963 -0.794 3.933) 4.126 2.276 ( 0.351 -3.761 0.551) 3.817 2.403 ( -0.789 0.454 5.448) 5.524 2.462 ( -3.402 7.107 4.701) 9.175 2.477 ( -5.214 -2.272 3.189) 6.520 2.712 ( 0.117 1.848 -2.632) 3.218 2.808 ( 0.729 -2.053 4.101) 4.644 2.904 ( -0.377 0.538 -3.599) 3.659 2.951 ( 0.414 -1.927 -1.171) 2.292 3.041 ( 6.418 -0.172 -1.536) 6.602 3.174 ( 4.917 -0.986 -1.708) 5.298 3.206 ( -5.976 3.686 1.928) 7.281 3.397 ( -0.326 0.738 -0.057) 0.809 3.478 ( 0.424 -0.288 -4.959) 4.985 3.643 ( 1.440 -2.781 -0.502) 3.172 3.855 ( -2.123 2.615 1.380) 3.640 4.409 ( 0.889 0.017 -0.730) 1.150 4.539 ( -2.383 -1.972 -1.492) 3.434 4.769 ( -0.149 -3.150 8.220) 8.804 5.325 ( 3.472 5.598 -4.627) 8.050 7.685 ( 0.280 -0.010 -0.142) 0.314 7.875 ( -2.196 -0.717 -0.378) 2.341 8.070 ( 0.736 1.228 6.430) 6.588 8.545 ( 2.256 -3.403 -3.413) 5.322 9.050 ( -7.374 3.533 -2.303) 8.495 9.431 ( 2.117 0.204 1.984) 2.908 17.915 ( 0.880 3.242 -1.669) 3.751 18.009 ( -0.464 -2.339 -0.019) 2.385 18.380 ( -0.787 -3.737 -3.190) 4.975 18.724 ( 3.412 1.115 -7.184) 8.031 19.460 ( -1.590 -0.120 4.539) 4.811 19.743 ( -0.026 -0.888 -0.827) 1.213 ======================= Grid point 138 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -8.682 0.199 8.512) 12.161 1.003 ( -4.671 7.877 4.255) 10.098 1.212 ( -7.248 9.594 4.605) 12.876 1.519 ( 5.495 2.883 -3.597) 7.172 1.586 ( -0.311 0.825 -2.525) 2.674 1.673 ( -6.837 1.670 -4.260) 8.227 1.826 ( 1.154 -5.357 7.007) 8.896 1.914 ( 4.129 -2.850 2.301) 5.520 2.060 ( -0.282 -0.673 -1.856) 1.994 2.128 ( -7.997 6.059 5.127) 11.267 2.247 ( -3.952 2.900 3.592) 6.077 2.278 ( 3.261 -4.123 -1.237) 5.400 2.404 ( -1.386 -1.249 2.841) 3.399 2.457 ( 1.321 -2.937 0.051) 3.220 2.484 ( 1.712 -2.080 4.431) 5.186 2.689 ( -0.381 0.523 -3.149) 3.215 2.803 ( -6.077 2.884 -2.766) 7.272 2.846 ( -0.476 -3.054 2.209) 3.799 3.000 ( 1.982 -1.623 -2.905) 3.873 3.066 ( -0.936 4.024 0.805) 4.209 3.168 ( 2.816 -1.633 0.624) 3.314 3.273 ( 4.630 -1.661 -0.571) 4.952 3.405 ( 2.610 1.252 -0.670) 2.972 3.481 ( -0.951 -4.253 -4.557) 6.305 3.670 ( -1.083 -1.117 -1.289) 2.020 3.846 ( 2.360 0.407 3.533) 4.268 4.394 ( 0.452 3.601 -1.253) 3.839 4.537 ( -2.346 -4.311 -1.109) 5.031 4.837 ( 2.810 -1.730 6.815) 7.572 5.272 ( 1.292 7.491 -4.611) 8.891 7.681 ( -3.525 -3.371 -0.083) 4.878 7.869 ( 1.871 1.051 -0.018) 2.146 8.083 ( 1.038 2.165 6.014) 6.475 8.607 ( 2.207 -2.247 -6.419) 7.150 8.953 ( -0.756 0.723 4.555) 4.673 9.501 ( 4.015 -2.797 1.129) 5.022 17.863 ( -1.612 3.819 -1.534) 4.420 18.015 ( -2.857 -3.256 -0.353) 4.346 18.351 ( -6.119 -2.097 -1.415) 6.622 18.702 ( 2.779 7.188 -11.001) 13.432 19.505 ( 2.398 -3.887 4.373) 6.323 19.757 ( 0.023 -1.875 -0.479) 1.935 ======================= Grid point 139 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -11.328 1.979 9.945) 15.204 0.854 ( -6.626 3.162 10.487) 12.801 1.001 ( -4.237 13.478 3.035) 14.451 1.438 ( -8.714 6.916 -0.719) 11.149 1.535 ( -5.544 0.072 -0.987) 5.631 1.596 ( 5.621 5.742 -3.509) 8.768 1.797 ( -8.735 9.834 7.478) 15.130 1.912 ( -0.358 -4.048 5.255) 6.643 2.065 ( 1.038 -0.901 0.180) 1.386 2.106 ( 0.768 -2.731 2.130) 3.548 2.220 ( -0.832 -2.455 -1.577) 3.034 2.344 ( -2.351 -0.039 0.973) 2.544 2.374 ( 0.698 -2.020 0.050) 2.137 2.497 ( -0.812 -1.735 0.824) 2.086 2.557 ( 1.070 -2.399 -0.349) 2.650 2.678 ( 0.461 0.438 -4.565) 4.609 2.699 ( -1.809 -1.221 0.241) 2.196 2.873 ( -1.737 -3.401 1.365) 4.056 3.002 ( 0.950 1.549 -1.663) 2.464 3.067 ( 1.727 -0.783 -0.364) 1.931 3.196 ( 0.945 2.025 -0.760) 2.360 3.373 ( 5.172 -2.005 0.359) 5.559 3.436 ( 3.055 1.443 1.095) 3.552 3.504 ( -1.869 -4.630 -3.597) 6.154 3.641 ( -2.981 -1.096 -1.922) 3.712 3.914 ( 4.071 -0.702 4.805) 6.337 4.351 ( 0.360 3.899 -1.443) 4.173 4.546 ( -1.776 -3.008 -1.021) 3.640 4.921 ( 3.801 -0.882 1.878) 4.330 5.172 ( -1.668 7.724 -4.432) 9.060 7.641 ( -6.352 -2.848 -0.440) 6.975 7.913 ( 3.396 -0.891 1.587) 3.853 8.078 ( 0.845 3.581 3.848) 5.324 8.618 ( 0.191 -0.900 -7.397) 7.454 9.079 ( 12.075 -4.022 12.290) 17.693 9.610 ( 4.329 -3.688 1.897) 5.995 17.779 ( -2.637 3.776 -1.616) 4.881 17.993 ( -6.441 -5.648 -1.524) 8.701 18.253 ( -7.185 -0.189 0.315) 7.194 18.569 ( -1.674 12.892 -14.574) 19.530 19.620 ( 4.234 -4.276 2.284) 6.437 19.789 ( 0.759 -3.054 0.781) 3.242 ======================= Grid point 140 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -7.345 3.437 13.345) 15.616 0.716 ( -10.092 6.727 12.510) 17.424 0.848 ( -0.496 5.208 4.140) 6.672 1.201 ( -10.161 7.274 16.008) 20.308 1.443 ( -2.451 2.105 -4.003) 5.144 1.602 ( 2.830 4.635 -1.075) 5.537 1.644 ( -2.327 3.289 -2.756) 4.881 1.925 ( -2.414 -0.952 2.654) 3.711 2.053 ( -2.090 0.630 1.110) 2.448 2.131 ( -2.426 -0.886 3.154) 4.077 2.183 ( -5.147 -0.019 0.340) 5.159 2.354 ( 3.412 -1.710 -0.125) 3.819 2.419 ( 2.620 -1.043 -2.968) 4.094 2.486 ( -2.574 -0.565 1.332) 2.953 2.551 ( -1.975 -1.427 -6.690) 7.120 2.682 ( 0.772 -2.221 -0.551) 2.415 2.776 ( 5.076 -1.781 -0.068) 5.380 2.878 ( -0.810 -1.492 0.762) 1.861 3.017 ( 2.345 0.051 -0.979) 2.542 3.094 ( -1.512 -1.338 0.143) 2.024 3.185 ( 2.626 1.980 -0.326) 3.305 3.390 ( -7.567 -1.273 -0.279) 7.679 3.425 ( -0.684 0.210 2.980) 3.065 3.587 ( 2.252 -1.775 -1.837) 3.406 3.611 ( 3.502 0.084 -1.542) 3.827 4.010 ( 5.724 -1.349 4.556) 7.439 4.314 ( 0.982 3.784 -1.080) 4.056 4.547 ( -0.740 -1.414 -1.265) 2.036 4.927 ( -8.602 -0.082 -4.032) 9.500 5.032 ( -0.523 6.261 -2.628) 6.810 7.560 ( -5.391 -0.432 0.613) 5.443 7.984 ( 1.798 -2.269 3.927) 4.879 8.054 ( 0.681 3.554 1.735) 4.013 8.619 ( 0.457 -1.447 -6.874) 7.040 9.454 ( 19.540 -7.377 7.495) 22.190 9.733 ( 6.797 -3.588 5.606) 9.513 17.698 ( -2.458 2.285 -2.065) 3.940 17.903 ( -14.826 -6.384 -3.930) 16.614 18.163 ( -2.774 1.356 1.411) 3.395 18.301 ( -3.828 15.863 -8.250) 18.285 19.718 ( 3.348 -1.716 -0.587) 3.808 19.855 ( 1.566 -3.664 1.272) 4.182 ======================= Grid point 142 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 7.224 0.000 7.704) 10.561 0.895 ( 9.860 0.000 12.482) 15.906 0.971 ( 7.892 0.000 3.050) 8.461 1.401 ( 10.283 0.000 9.538) 14.025 1.527 ( -3.358 -0.000 -3.573) 4.903 1.607 ( 5.293 0.000 -2.967) 6.068 1.660 ( 3.680 0.000 3.420) 5.024 1.893 ( 1.376 0.000 -0.952) 1.673 1.981 ( -1.311 -0.000 1.612) 2.078 2.061 ( -1.453 -0.000 2.082) 2.538 2.073 ( 4.721 0.000 7.040) 8.476 2.265 ( -5.462 -0.000 -1.097) 5.571 2.484 ( 1.398 0.000 -6.367) 6.519 2.517 ( -0.323 -0.000 3.081) 3.098 2.551 ( -5.748 -0.000 -1.596) 5.965 2.649 ( 2.495 0.000 -3.710) 4.471 2.808 ( 1.983 0.000 1.303) 2.373 2.921 ( 3.710 0.000 -1.460) 3.987 2.976 ( -5.374 -0.000 -1.026) 5.471 3.153 ( 1.202 0.000 -0.225) 1.223 3.238 ( 0.259 0.000 -3.640) 3.649 3.358 ( -1.787 -0.000 4.844) 5.163 3.381 ( -2.316 -0.000 1.519) 2.770 3.492 ( -3.694 -0.000 -1.317) 3.922 3.595 ( 2.462 0.000 -0.164) 2.468 4.109 ( -6.091 -0.000 -1.804) 6.353 4.284 ( -0.134 -0.000 -0.156) 0.206 4.601 ( 2.988 0.000 -1.969) 3.578 4.637 ( -2.222 -0.000 6.106) 6.498 5.155 ( 11.091 0.000 -3.566) 11.650 7.633 ( 5.283 0.000 1.231) 5.425 7.935 ( -4.715 -0.000 -0.353) 4.728 8.065 ( -0.695 -0.000 7.830) 7.861 8.524 ( -2.239 -0.000 -7.484) 7.812 9.477 ( -8.519 -0.000 -3.196) 9.099 9.720 ( -14.190 -0.000 6.825) 15.746 17.856 ( 6.318 0.000 1.097) 6.412 18.003 ( 14.576 0.000 -12.804) 19.401 18.060 ( -0.978 -0.000 1.211) 1.556 18.369 ( 7.924 0.000 -1.540) 8.072 19.707 ( -5.686 -0.000 0.730) 5.732 19.792 ( -3.046 -0.000 1.247) 3.292 ======================= Grid point 143 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 6.295 -4.974 4.145) 9.031 1.084 ( 9.529 0.436 6.429) 11.503 1.151 ( 11.057 -3.742 7.778) 14.027 1.458 ( -3.896 -0.678 -4.201) 5.770 1.551 ( 5.416 -2.479 -5.464) 8.083 1.637 ( 3.827 4.808 2.383) 6.591 1.807 ( 2.989 -3.676 3.728) 6.029 1.880 ( 2.470 0.920 6.402) 6.923 1.985 ( -3.124 0.129 4.468) 5.454 2.008 ( -0.234 -0.024 0.787) 0.821 2.173 ( -2.196 0.151 -0.845) 2.358 2.218 ( 2.678 -4.349 2.827) 5.838 2.420 ( -6.809 -0.330 0.560) 6.840 2.490 ( -3.209 0.595 2.733) 4.257 2.592 ( 7.547 -3.312 -3.028) 8.781 2.676 ( 2.722 1.812 -4.797) 5.806 2.816 ( 0.204 2.079 0.259) 2.105 2.877 ( -5.576 0.277 0.850) 5.648 2.954 ( 0.228 0.553 -1.293) 1.425 3.140 ( -0.868 0.349 -2.047) 2.250 3.171 ( -1.674 6.082 -3.439) 7.185 3.361 ( 0.678 -1.720 -0.415) 1.895 3.380 ( 0.279 -0.536 4.032) 4.077 3.471 ( -2.329 -2.508 1.772) 3.855 3.607 ( 1.195 2.751 -1.644) 3.420 3.999 ( -6.288 1.021 -1.676) 6.587 4.300 ( 0.199 -2.398 0.226) 2.417 4.592 ( -3.318 0.216 3.368) 4.732 4.653 ( 2.209 -1.128 0.123) 2.483 5.322 ( 10.233 0.146 -3.983) 10.982 7.710 ( 4.049 1.238 1.788) 4.596 7.874 ( -3.167 -0.985 -0.140) 3.320 8.071 ( -1.025 -0.127 6.808) 6.886 8.471 ( -1.792 -0.317 -6.169) 6.432 9.305 ( -10.768 1.400 -3.711) 11.475 9.539 ( -8.012 2.676 5.630) 10.152 17.943 ( 3.864 0.243 2.334) 4.521 18.021 ( 2.821 4.405 -1.818) 5.538 18.195 ( 6.219 -5.096 -9.711) 12.607 18.525 ( 8.741 -4.239 -3.267) 10.250 19.596 ( -7.157 1.806 3.303) 8.086 19.752 ( -1.917 0.285 -0.276) 1.958 ======================= Grid point 144 (68/129) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 3.326 -1.668 2.383) 4.419 1.224 ( 9.666 4.075 4.205) 11.301 1.363 ( 3.413 -1.163 4.605) 5.849 1.428 ( 0.806 -8.613 -0.794) 8.687 1.572 ( -3.757 3.528 -1.286) 5.312 1.654 ( 4.712 4.197 1.529) 6.493 1.758 ( -0.198 1.474 -0.489) 1.565 1.924 ( -0.789 1.599 -1.761) 2.506 2.023 ( -0.705 -1.007 3.212) 3.440 2.078 ( 5.082 -7.700 6.677) 11.389 2.145 ( -0.339 -1.061 -2.492) 2.730 2.295 ( -3.547 -2.315 0.594) 4.277 2.352 ( -0.503 -2.509 4.694) 5.346 2.427 ( -5.021 -0.830 2.970) 5.893 2.643 ( -1.064 5.810 -0.706) 5.949 2.720 ( 1.030 -3.478 3.471) 5.020 2.758 ( -3.818 1.303 -0.918) 4.138 2.880 ( 3.001 -2.265 -1.534) 4.061 2.920 ( -1.126 -1.107 -2.934) 3.332 3.068 ( -1.504 4.275 -2.633) 5.241 3.159 ( 3.578 0.049 -2.680) 4.470 3.315 ( -4.911 3.942 1.961) 6.596 3.407 ( 1.684 -0.135 1.145) 2.041 3.501 ( 0.169 -1.077 0.975) 1.463 3.587 ( 1.440 0.277 -3.248) 3.564 3.895 ( -4.836 0.753 -0.809) 4.961 4.345 ( 0.944 -3.470 0.901) 3.708 4.544 ( -3.643 -0.017 1.945) 4.130 4.709 ( 3.409 -0.798 1.648) 3.870 5.427 ( 6.472 2.883 -3.750) 8.017 7.709 ( -2.375 1.253 1.452) 3.053 7.879 ( 3.303 1.133 -0.403) 3.515 8.077 ( -0.498 -0.577 6.007) 6.055 8.459 ( -0.281 -3.178 -4.393) 5.429 9.117 ( -8.963 2.134 -2.775) 9.622 9.446 ( -2.802 0.862 2.604) 3.921 17.976 ( 0.470 0.668 1.934) 2.099 18.013 ( 1.973 3.475 -1.552) 4.287 18.282 ( 0.907 -4.266 -6.729) 8.019 18.693 ( 8.255 -3.029 -4.686) 9.964 19.483 ( -5.339 1.623 4.135) 6.946 19.727 ( -1.252 -0.467 -0.715) 1.515 ======================= Grid point 145 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.259 5.647 3.375) 6.698 1.223 ( -1.563 9.494 2.005) 9.828 1.408 ( -2.608 6.470 5.245) 8.727 1.434 ( 0.492 -6.368 -4.948) 8.079 1.598 ( 3.287 -4.378 5.127) 7.501 1.690 ( 4.353 3.501 0.627) 5.621 1.765 ( -0.186 -1.128 2.050) 2.348 1.911 ( 3.418 2.617 -2.906) 5.194 2.016 ( -1.239 -1.625 0.232) 2.056 2.168 ( -1.238 -4.500 -0.804) 4.736 2.212 ( -0.023 -3.743 -0.593) 3.790 2.244 ( -3.438 -0.418 5.457) 6.463 2.364 ( -2.649 -5.003 2.009) 6.007 2.435 ( 1.077 -0.442 3.619) 3.802 2.523 ( -2.210 8.528 3.728) 9.566 2.686 ( -3.923 -0.584 -0.383) 3.985 2.762 ( -2.324 -4.849 2.212) 5.814 2.864 ( -5.852 2.561 -3.164) 7.128 2.937 ( 3.269 -2.563 -0.250) 4.161 3.094 ( 3.031 -3.294 -2.029) 4.915 3.149 ( -5.012 2.445 1.404) 5.750 3.258 ( 4.806 0.947 -2.077) 5.321 3.429 ( 1.680 1.155 1.957) 2.826 3.464 ( -1.088 1.679 -6.505) 6.806 3.638 ( 1.539 -2.119 -0.373) 2.646 3.844 ( -1.248 -0.649 1.245) 1.879 4.405 ( 1.040 -3.498 1.086) 3.808 4.489 ( -3.132 0.810 0.424) 3.263 4.790 ( 4.654 -1.242 2.873) 5.609 5.439 ( 3.194 6.218 -3.158) 7.671 7.652 ( -3.685 0.225 0.615) 3.743 7.913 ( 3.647 2.838 -0.403) 4.638 8.106 ( 1.461 -0.227 5.792) 5.978 8.506 ( 0.725 -5.594 -4.859) 7.446 8.983 ( -4.439 1.622 0.928) 4.817 9.442 ( 0.468 -2.219 0.609) 2.348 17.958 ( -1.483 1.552 0.838) 2.305 17.984 ( -0.395 3.194 -1.763) 3.669 18.287 ( -4.059 -3.351 -2.429) 5.797 18.809 ( 6.899 1.612 -7.309) 10.180 19.437 ( -1.362 -1.520 4.358) 4.812 19.718 ( -1.045 -1.384 -0.841) 1.928 ======================= Grid point 146 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -3.392 8.143 5.658) 10.480 1.043 ( -5.881 10.474 6.346) 13.585 1.296 ( -1.377 9.382 2.857) 9.904 1.509 ( 2.048 -1.401 -4.380) 5.034 1.561 ( -6.134 3.794 -1.831) 7.441 1.706 ( 1.500 2.399 0.722) 2.920 1.834 ( 3.728 -1.831 6.362) 7.597 1.970 ( 3.577 0.001 1.390) 3.837 2.044 ( 1.071 -3.251 -0.330) 3.438 2.096 ( -6.293 7.566 2.208) 10.086 2.158 ( -5.253 -3.074 2.354) 6.526 2.273 ( 1.025 -3.586 0.953) 3.850 2.399 ( -0.965 2.567 2.670) 3.827 2.446 ( -0.270 -2.743 -0.693) 2.843 2.498 ( 2.284 -2.708 4.391) 5.642 2.647 ( -3.607 -2.527 -0.760) 4.469 2.715 ( -5.876 2.534 -3.710) 7.397 2.785 ( -1.950 -4.287 0.706) 4.762 3.008 ( -2.102 -1.026 1.488) 2.773 3.055 ( 1.178 -0.205 0.587) 1.332 3.189 ( 2.747 -2.901 -1.045) 4.129 3.324 ( 2.351 -1.542 -0.309) 2.829 3.400 ( -1.684 -0.653 -7.209) 7.432 3.487 ( 5.200 0.787 -0.281) 5.267 3.640 ( -2.087 0.226 -0.793) 2.244 3.878 ( 1.784 -2.406 3.807) 4.844 4.433 ( -0.194 2.722 -0.543) 2.783 4.461 ( -0.856 -3.981 1.237) 4.256 4.884 ( 4.046 -1.453 0.605) 4.342 5.375 ( 0.730 8.735 -2.369) 9.080 7.599 ( -3.566 -0.482 0.588) 3.646 7.929 ( 2.260 1.858 0.646) 2.996 8.144 ( 2.644 2.124 3.949) 5.206 8.554 ( -0.937 -4.785 -7.194) 8.690 8.989 ( 4.011 -3.038 8.037) 9.482 9.506 ( 2.110 -4.946 -0.048) 5.377 17.900 ( -0.304 6.159 -2.097) 6.513 17.915 ( -6.108 -0.941 0.044) 6.180 18.235 ( -5.374 -1.580 1.372) 5.767 18.815 ( 3.814 7.925 -11.518) 14.492 19.500 ( 2.430 -5.366 4.122) 7.190 19.723 ( -0.749 -2.426 -0.630) 2.617 ======================= Grid point 147 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.750 7.694 9.025) 11.988 0.874 ( -3.097 10.363 11.241) 15.600 1.146 ( -1.270 14.082 2.164) 14.304 1.380 ( -7.490 6.564 0.313) 9.964 1.517 ( 1.615 3.413 -4.858) 6.153 1.691 ( -0.180 2.106 1.889) 2.834 1.819 ( -6.305 11.343 5.396) 14.055 1.903 ( 1.297 -0.746 4.505) 4.747 2.063 ( -0.563 -1.000 1.008) 1.528 2.104 ( 0.603 -0.040 -0.024) 0.605 2.158 ( -0.408 -2.991 -0.443) 3.051 2.307 ( -0.503 -2.728 1.618) 3.211 2.386 ( 0.981 -0.469 -0.501) 1.198 2.438 ( -3.232 -2.373 0.379) 4.028 2.546 ( -0.534 0.459 0.443) 0.832 2.617 ( -2.074 -3.665 -1.141) 4.364 2.698 ( 2.844 -3.810 -2.301) 5.282 2.813 ( -0.774 -3.671 1.004) 3.884 2.987 ( -3.422 -4.063 2.782) 5.996 3.085 ( 2.872 2.215 -1.426) 3.897 3.228 ( 0.450 1.072 -1.159) 1.642 3.326 ( -5.903 -5.297 -3.278) 8.582 3.410 ( 2.397 -0.202 -0.123) 2.409 3.580 ( 4.289 0.927 0.501) 4.417 3.594 ( 0.184 -1.156 -2.543) 2.799 3.954 ( 2.199 -3.352 5.422) 6.743 4.409 ( 2.114 3.261 0.128) 3.888 4.495 ( 0.030 -2.718 -0.020) 2.718 4.914 ( -2.662 -0.506 -4.751) 5.469 5.253 ( -1.168 10.729 -1.871) 10.954 7.552 ( -2.858 0.094 1.184) 3.095 7.955 ( 1.675 -0.308 3.033) 3.478 8.146 ( 1.457 4.384 0.926) 4.711 8.560 ( -1.329 -3.548 -6.075) 7.160 9.219 ( 10.980 -10.731 10.465) 18.580 9.608 ( 2.028 -6.668 0.956) 7.034 17.785 ( -5.786 3.560 -1.976) 7.075 17.839 ( -3.016 1.956 0.239) 3.602 18.181 ( -3.025 0.238 2.622) 4.010 18.684 ( 0.439 14.469 -14.103) 20.210 19.630 ( 3.790 -6.144 2.439) 7.620 19.749 ( -0.648 -3.987 0.160) 4.042 ======================= Grid point 148 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 2.275 7.545 11.991) 14.349 0.753 ( -0.803 11.291 12.454) 16.829 0.973 ( 0.088 13.656 3.019) 13.986 1.222 ( -2.699 6.771 11.119) 13.295 1.477 ( 2.355 4.569 -5.719) 7.689 1.659 ( -0.034 4.938 5.103) 7.101 1.687 ( 0.384 4.400 -4.106) 6.030 1.912 ( -0.907 1.873 1.056) 2.334 2.018 ( -3.457 1.471 3.425) 5.083 2.078 ( -3.345 -0.292 -1.080) 3.528 2.147 ( -1.723 1.218 2.395) 3.192 2.350 ( -1.406 -3.523 -0.455) 3.820 2.420 ( 0.473 -3.428 2.151) 4.075 2.452 ( 3.949 -1.861 -5.347) 6.903 2.533 ( 0.770 1.422 -3.748) 4.082 2.664 ( 1.653 -4.273 1.304) 4.763 2.778 ( -0.095 -5.048 -2.969) 5.857 2.846 ( -0.593 -2.519 2.048) 3.300 2.990 ( -4.316 -4.635 4.044) 7.515 3.094 ( 3.183 2.699 -1.576) 4.461 3.210 ( -0.323 -0.538 -1.075) 1.245 3.290 ( -2.194 -1.953 -0.046) 2.937 3.426 ( -0.675 1.065 2.336) 2.654 3.549 ( -1.221 -0.381 -1.281) 1.810 3.679 ( 1.639 -1.007 -1.555) 2.474 4.058 ( 2.962 -5.203 4.564) 7.528 4.424 ( 5.416 5.321 -0.919) 7.648 4.529 ( 1.579 -1.367 -1.003) 2.317 4.750 ( -12.666 4.029 -4.247) 13.953 5.117 ( -0.103 8.824 -1.448) 8.943 7.528 ( 0.209 0.632 1.778) 1.898 8.000 ( 1.150 -1.232 5.021) 5.296 8.099 ( -0.986 4.175 -0.118) 4.291 8.569 ( -0.833 -3.197 -6.020) 6.867 9.521 ( 4.066 -10.568 2.291) 11.553 9.748 ( 2.075 -12.618 4.816) 13.664 17.672 ( -1.633 2.457 -0.360) 2.972 17.788 ( 0.791 3.300 0.061) 3.394 18.151 ( -0.715 1.309 2.022) 2.513 18.459 ( 0.738 17.953 -10.859) 20.994 19.738 ( 2.453 -2.352 -0.736) 3.477 19.794 ( -1.953 -6.783 1.794) 7.283 ======================= Grid point 151 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 7.441 0.000 0.371) 7.451 1.279 ( 10.562 0.000 9.973) 14.527 1.309 ( 10.555 0.000 -1.771) 10.703 1.376 ( -3.415 -0.000 -2.742) 4.380 1.581 ( 3.203 0.000 -8.336) 8.930 1.762 ( 0.228 0.000 5.843) 5.847 1.827 ( 1.253 0.000 6.020) 6.149 1.903 ( -0.696 -0.000 7.004) 7.039 1.912 ( -5.306 -0.000 5.118) 7.372 2.047 ( 3.602 0.000 0.543) 3.642 2.152 ( 1.790 0.000 -7.482) 7.693 2.214 ( -1.269 -0.000 4.553) 4.727 2.339 ( -2.981 -0.000 3.786) 4.819 2.421 ( -6.948 -0.000 2.753) 7.473 2.647 ( -0.489 -0.000 1.607) 1.680 2.757 ( 8.653 0.000 -8.372) 12.040 2.760 ( -6.407 -0.000 -1.508) 6.582 2.842 ( -0.711 -0.000 3.083) 3.164 2.910 ( -2.733 -0.000 -1.624) 3.179 3.150 ( -4.414 -0.000 -3.550) 5.664 3.161 ( 3.370 0.000 -2.986) 4.503 3.361 ( -2.960 -0.000 0.619) 3.024 3.424 ( 2.440 0.000 6.826) 7.249 3.426 ( 1.189 0.000 0.503) 1.291 3.621 ( -0.358 -0.000 -3.652) 3.669 3.899 ( -6.088 -0.000 -2.203) 6.475 4.301 ( 0.989 0.000 1.941) 2.179 4.533 ( -4.207 -0.000 4.691) 6.301 4.714 ( 5.370 0.000 -3.075) 6.188 5.457 ( 7.707 0.000 -3.258) 8.367 7.724 ( -3.592 -0.000 2.644) 4.460 7.903 ( 6.656 0.000 -0.202) 6.659 8.063 ( -1.790 -0.000 5.713) 5.987 8.422 ( -1.804 -0.000 -5.624) 5.906 9.143 ( -9.381 -0.000 -2.716) 9.766 9.458 ( -5.257 -0.000 3.114) 6.110 17.991 ( 0.704 0.000 3.662) 3.729 18.061 ( 0.261 0.000 2.273) 2.288 18.225 ( 4.102 0.000 -13.726) 14.326 18.644 ( 9.915 0.000 -2.802) 10.304 19.506 ( -6.478 -0.000 3.845) 7.533 19.722 ( -1.771 -0.000 -0.625) 1.878 ======================= Grid point 152 (74/129) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 6.507 -0.652 -1.370) 6.681 1.287 ( -4.259 0.269 -5.267) 6.779 1.445 ( 10.921 2.869 3.084) 11.705 1.470 ( 3.102 0.721 1.393) 3.476 1.577 ( -0.262 2.670 2.572) 3.716 1.737 ( -1.132 -0.244 1.434) 1.843 1.772 ( -1.149 1.580 5.394) 5.737 1.882 ( -2.908 -3.461 2.809) 5.322 2.005 ( 3.568 -1.672 5.162) 6.494 2.083 ( -0.377 -0.526 2.276) 2.366 2.172 ( 3.705 0.548 -5.290) 6.481 2.206 ( -2.353 -2.942 1.086) 3.921 2.287 ( -6.797 0.655 2.982) 7.451 2.381 ( -0.112 -4.318 4.056) 5.925 2.622 ( -4.269 -2.243 0.903) 4.907 2.666 ( -5.121 -1.023 -0.206) 5.226 2.749 ( -1.215 6.638 0.634) 6.778 2.871 ( 1.548 -2.606 0.768) 3.127 2.945 ( 3.247 1.772 -4.808) 6.066 3.061 ( -2.007 0.199 -3.125) 3.719 3.177 ( -3.250 0.436 0.166) 3.283 3.297 ( 0.384 1.518 -0.181) 1.576 3.445 ( -0.016 0.486 4.478) 4.504 3.483 ( -0.123 -1.422 -0.796) 1.634 3.610 ( 2.434 0.679 -4.262) 4.955 3.817 ( -4.216 -1.301 -1.739) 4.743 4.335 ( 0.992 -1.848 2.955) 3.623 4.491 ( -2.891 -0.378 3.179) 4.313 4.795 ( 6.572 0.833 -2.779) 7.184 5.535 ( 4.558 2.078 -2.118) 5.439 7.664 ( -3.961 0.449 2.007) 4.463 7.993 ( 4.687 3.790 0.391) 6.040 8.072 ( 1.741 -2.604 3.825) 4.944 8.401 ( -0.895 -2.709 -4.290) 5.152 9.013 ( -5.869 0.784 -0.620) 5.953 9.405 ( -2.649 -0.885 0.903) 2.935 17.979 ( -2.354 1.185 3.507) 4.387 18.067 ( 0.922 1.552 1.609) 2.418 18.226 ( -0.999 -1.122 -9.086) 9.209 18.796 ( 9.080 -1.381 -4.027) 10.028 19.430 ( -3.899 0.283 3.596) 5.311 19.697 ( -1.492 -0.466 -0.991) 1.851 ======================= Grid point 153 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.095 8.954 -1.056) 9.082 1.230 ( -1.626 -0.808 -2.506) 3.095 1.348 ( -5.107 5.410 1.550) 7.599 1.573 ( 8.427 3.958 1.319) 9.403 1.610 ( -1.311 0.522 2.503) 2.874 1.702 ( -2.375 -1.803 6.161) 6.845 1.822 ( 3.701 -0.007 4.219) 5.612 1.930 ( 1.179 -5.634 0.887) 5.824 2.023 ( 0.761 3.991 -0.419) 4.084 2.083 ( -0.596 -1.968 2.165) 2.986 2.152 ( -5.892 -1.675 -1.519) 6.311 2.226 ( 0.560 -1.298 5.031) 5.226 2.309 ( 3.763 -6.454 0.282) 7.476 2.412 ( -2.315 -1.727 -0.549) 2.939 2.572 ( -3.558 -0.950 -0.850) 3.779 2.629 ( -3.749 5.876 3.032) 7.601 2.656 ( -1.627 -3.894 1.927) 4.639 2.825 ( -5.756 6.850 -1.915) 9.150 2.963 ( 1.973 -3.016 1.289) 3.828 3.039 ( -3.756 -1.184 2.072) 4.450 3.147 ( 2.947 -0.482 -3.907) 4.917 3.323 ( 1.969 1.043 -0.471) 2.277 3.415 ( -2.320 0.368 -2.560) 3.474 3.488 ( 2.168 -0.274 -2.050) 2.996 3.633 ( -0.244 -0.102 -1.008) 1.042 3.806 ( -0.494 -3.850 0.138) 3.884 4.381 ( 0.189 -2.702 3.429) 4.370 4.466 ( -1.060 0.337 1.561) 1.917 4.879 ( 6.106 0.919 -2.650) 6.719 5.538 ( 1.531 5.042 -0.747) 5.322 7.608 ( -2.765 0.832 1.383) 3.201 7.981 ( -0.283 2.242 1.442) 2.681 8.172 ( 6.465 0.342 1.573) 6.662 8.428 ( -0.405 -5.064 -4.418) 6.733 8.952 ( -1.596 -0.508 3.677) 4.040 9.404 ( -0.730 -3.539 -0.754) 3.691 17.918 ( -4.536 1.282 2.927) 5.549 18.050 ( 1.305 5.187 -1.668) 5.603 18.187 ( -3.722 -1.939 -1.472) 4.447 18.914 ( 6.533 0.882 -6.658) 9.370 19.410 ( -0.730 -2.066 3.339) 3.994 19.683 ( -0.982 -1.106 -1.194) 1.900 ======================= Grid point 154 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.405 9.189 1.309) 9.588 1.156 ( 2.162 12.871 6.794) 14.714 1.291 ( -2.515 -1.327 -2.565) 3.830 1.514 ( -5.359 4.095 1.194) 6.850 1.607 ( 2.686 4.537 -0.794) 5.332 1.736 ( 2.171 1.944 4.394) 5.272 1.878 ( 0.709 -0.706 5.637) 5.725 1.998 ( -2.260 1.063 2.238) 3.354 2.026 ( 1.955 -3.883 0.373) 4.364 2.068 ( -2.292 -2.185 1.684) 3.587 2.122 ( 2.342 0.943 -2.290) 3.408 2.260 ( 0.375 -0.497 5.180) 5.217 2.360 ( -5.313 -1.686 -1.162) 5.694 2.442 ( 3.167 -3.994 0.260) 5.104 2.500 ( -1.964 3.213 1.405) 4.019 2.559 ( -2.939 -1.541 0.050) 3.318 2.667 ( -3.189 1.541 -2.992) 4.637 2.725 ( 1.069 -3.734 2.777) 4.775 2.905 ( -6.803 -1.497 4.506) 8.296 3.136 ( 5.452 -3.498 -0.825) 6.530 3.168 ( 0.356 0.324 -3.558) 3.591 3.284 ( -3.532 1.294 -2.492) 4.512 3.421 ( 3.758 0.167 -3.766) 5.323 3.538 ( 1.636 -2.588 -1.430) 3.379 3.602 ( -2.197 -0.044 0.209) 2.207 3.865 ( 0.751 -4.395 2.352) 5.041 4.415 ( -0.524 -2.288 3.701) 4.382 4.469 ( 1.937 0.359 0.638) 2.071 4.925 ( 1.838 1.584 -4.984) 5.543 5.468 ( -1.067 7.560 0.547) 7.655 7.568 ( -1.339 1.133 1.251) 2.155 7.960 ( -0.552 0.562 2.269) 2.402 8.242 ( 4.537 3.624 -0.885) 5.874 8.464 ( -0.675 -4.537 -4.662) 6.541 9.019 ( 3.494 -6.323 8.680) 11.293 9.453 ( -0.285 -6.324 -1.634) 6.538 17.827 ( -5.451 1.933 2.520) 6.308 17.982 ( 0.983 7.618 -3.525) 8.451 18.165 ( -2.018 -1.595 3.262) 4.154 18.924 ( 2.722 6.319 -10.100) 12.221 19.475 ( 1.329 -6.223 3.316) 7.176 19.687 ( -0.107 -1.672 -1.148) 2.031 ======================= Grid point 155 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.185 6.637 5.997) 8.947 1.063 ( 2.711 14.414 8.410) 16.906 1.244 ( 0.994 5.379 -1.840) 5.772 1.375 ( -4.414 7.343 0.757) 8.601 1.584 ( 1.248 3.226 -1.653) 3.834 1.732 ( 1.182 4.616 2.848) 5.551 1.849 ( -3.775 4.741 5.193) 7.981 1.948 ( 1.497 2.093 5.127) 5.737 2.044 ( -1.118 0.484 0.805) 1.461 2.094 ( -1.235 0.497 -2.623) 2.942 2.151 ( 0.474 -0.738 1.264) 1.538 2.281 ( -2.795 -2.205 1.808) 3.993 2.327 ( 0.769 -3.328 1.846) 3.882 2.437 ( 1.790 1.406 -2.058) 3.068 2.532 ( -1.403 -3.281 2.261) 4.224 2.564 ( 1.641 -3.673 0.706) 4.085 2.659 ( 0.271 -3.527 -5.261) 6.339 2.802 ( 2.586 -1.313 1.823) 3.426 2.860 ( -5.309 -5.437 6.058) 9.718 3.134 ( -3.086 -0.484 -3.940) 5.027 3.221 ( -1.398 0.155 -1.709) 2.213 3.226 ( 3.025 -0.693 -2.318) 3.873 3.456 ( 2.201 1.792 -0.114) 2.840 3.534 ( -3.134 -1.987 -2.450) 4.446 3.636 ( 2.070 -2.527 -0.035) 3.267 3.937 ( 0.705 -5.185 3.795) 6.463 4.444 ( 0.014 -2.071 2.782) 3.469 4.525 ( 5.414 0.211 1.419) 5.601 4.846 ( -5.547 4.613 -7.978) 10.756 5.342 ( -2.538 9.167 0.667) 9.535 7.549 ( 0.436 1.256 1.333) 1.883 7.971 ( 0.435 -1.217 3.986) 4.191 8.214 ( -0.570 5.390 -2.980) 6.186 8.493 ( 0.245 -3.026 -3.667) 4.760 9.229 ( 5.000 -12.353 9.615) 16.433 9.517 ( -2.167 -8.395 -1.445) 8.789 17.738 ( -2.025 3.118 1.787) 4.125 17.909 ( 1.803 6.875 -2.255) 7.457 18.171 ( 0.499 0.195 3.326) 3.368 18.811 ( 0.361 11.564 -12.142) 16.772 19.587 ( 0.195 -8.632 3.193) 9.205 19.708 ( 0.588 -1.741 -1.263) 2.230 ======================= Grid point 156 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 2.737 5.700 9.694) 11.573 0.967 ( 3.674 11.468 9.479) 15.325 1.142 ( -0.982 13.886 1.691) 14.023 1.303 ( 4.357 2.155 0.202) 4.865 1.564 ( 3.153 5.095 -2.980) 6.692 1.698 ( -0.226 2.001 -0.190) 2.023 1.788 ( 1.878 5.715 6.466) 8.831 1.908 ( -4.616 5.465 1.118) 7.240 2.020 ( -0.760 0.505 -0.196) 0.933 2.067 ( 2.526 1.854 1.908) 3.669 2.125 ( -3.138 0.484 3.503) 4.728 2.261 ( -2.685 -2.400 -0.016) 3.601 2.416 ( 2.389 -3.452 2.519) 4.896 2.495 ( 5.079 -2.048 -4.948) 7.380 2.557 ( 1.502 0.281 -0.403) 1.580 2.627 ( -1.642 -4.132 -0.328) 4.458 2.691 ( 0.136 -3.995 -1.108) 4.148 2.824 ( -0.133 -1.921 2.619) 3.251 2.902 ( -0.357 -4.711 3.303) 5.765 3.100 ( -1.897 -3.252 -4.104) 5.569 3.193 ( -1.564 0.177 -0.659) 1.706 3.284 ( 3.784 -1.021 0.252) 3.927 3.452 ( 0.151 2.800 1.859) 3.364 3.515 ( -1.313 -2.519 -2.076) 3.518 3.645 ( -3.153 -0.124 -1.280) 3.405 4.022 ( -0.075 -5.998 2.993) 6.704 4.466 ( -1.141 -1.040 -1.001) 1.840 4.629 ( 5.788 4.132 -0.319) 7.119 4.642 ( -5.696 3.744 -1.227) 6.926 5.210 ( -0.401 7.998 -1.085) 8.081 7.564 ( 2.519 0.526 1.056) 2.782 8.014 ( 0.819 -1.578 5.550) 5.828 8.107 ( -4.265 4.471 -2.332) 6.604 8.513 ( -0.118 -1.805 -4.243) 4.613 9.433 ( 0.071 -9.593 3.537) 10.224 9.564 ( -6.483 -11.909 2.554) 13.798 17.734 ( 5.292 1.344 -0.691) 5.504 17.878 ( 3.433 4.776 -0.697) 5.923 18.189 ( 2.458 2.167 2.038) 3.859 18.636 ( 1.208 14.113 -11.224) 18.072 19.665 ( -3.992 -7.722 3.150) 9.246 19.739 ( 1.249 -1.836 -1.295) 2.571 ======================= Grid point 160 (79/129) ======================= q-point: ( 0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 3.308 0.000 -4.293) 5.419 1.242 ( -1.497 -0.000 -4.109) 4.374 1.486 ( -2.025 -0.000 1.616) 2.591 1.617 ( -1.053 -0.000 -0.148) 1.063 1.630 ( 2.715 0.000 3.994) 4.829 1.641 ( 0.974 0.000 5.434) 5.521 1.801 ( 4.262 0.000 4.398) 6.124 1.849 ( -0.198 -0.000 3.285) 3.291 2.052 ( -3.684 -0.000 0.563) 3.727 2.088 ( -0.292 -0.000 2.179) 2.198 2.155 ( -0.651 -0.000 4.044) 4.096 2.188 ( 1.224 0.000 3.385) 3.599 2.264 ( 1.672 0.000 -2.770) 3.236 2.354 ( 0.869 0.000 0.449) 0.978 2.518 ( -6.511 -0.000 0.857) 6.567 2.581 ( -4.226 -0.000 0.084) 4.227 2.835 ( -0.643 -0.000 1.793) 1.905 2.847 ( 3.807 0.000 -1.658) 4.152 2.972 ( -5.286 -0.000 -2.328) 5.776 2.992 ( -4.580 -0.000 0.830) 4.655 3.137 ( 2.601 0.000 -1.573) 3.040 3.352 ( 4.125 0.000 -1.326) 4.333 3.397 ( -5.687 -0.000 4.268) 7.111 3.485 ( 0.323 0.000 -2.169) 2.193 3.659 ( 3.978 0.000 -3.285) 5.159 3.731 ( -4.391 -0.000 -2.403) 5.006 4.348 ( 0.727 0.000 4.261) 4.323 4.466 ( -1.065 -0.000 2.112) 2.366 4.897 ( 6.683 0.000 -3.977) 7.777 5.596 ( 1.869 0.000 -0.430) 1.917 7.620 ( -2.635 -0.000 1.996) 3.305 8.011 ( -2.837 -0.000 2.846) 4.018 8.172 ( 9.420 0.000 -0.778) 9.452 8.365 ( -0.223 -0.000 -3.046) 3.054 8.949 ( -3.256 -0.000 1.967) 3.804 9.361 ( -2.020 -0.000 -0.630) 2.116 17.943 ( -4.375 -0.000 4.409) 6.211 18.090 ( 0.534 0.000 3.359) 3.401 18.182 ( -1.227 -0.000 -8.126) 8.218 18.908 ( 7.295 0.000 -4.200) 8.418 19.393 ( -2.044 -0.000 2.575) 3.288 19.671 ( -0.931 -0.000 -1.382) 1.667 ======================= Grid point 162 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -4.446 2.653 -2.675) 5.828 1.214 ( 1.216 -1.139 -4.293) 4.605 1.423 ( 1.741 8.267 4.800) 9.716 1.551 ( -5.139 -0.893 4.972) 7.206 1.655 ( 0.006 0.652 2.396) 2.483 1.754 ( 7.334 0.220 0.672) 7.368 1.878 ( 1.489 0.031 6.858) 7.017 1.903 ( 2.695 -4.624 1.843) 5.660 1.996 ( -2.749 0.003 -0.095) 2.751 2.023 ( -5.161 -2.597 -1.686) 6.019 2.184 ( 3.824 4.619 3.973) 7.193 2.236 ( 0.596 -1.359 5.952) 6.134 2.296 ( 1.212 -3.194 -1.683) 3.808 2.356 ( -2.885 0.026 -2.989) 4.154 2.479 ( -0.779 -4.296 -0.512) 4.396 2.558 ( -1.073 -3.166 1.097) 3.518 2.752 ( 0.050 9.536 0.954) 9.583 2.802 ( -6.070 5.114 0.638) 7.963 2.900 ( -5.332 -0.149 1.212) 5.470 2.994 ( 1.648 -6.660 -0.339) 6.869 3.214 ( 5.754 1.085 -2.423) 6.337 3.311 ( -4.250 0.616 1.814) 4.662 3.395 ( -0.084 -1.676 -2.232) 2.792 3.494 ( 1.555 -1.033 -1.884) 2.652 3.627 ( -2.639 2.961 -2.322) 4.596 3.752 ( 1.299 -5.168 -1.453) 5.524 4.373 ( 0.007 -1.043 4.771) 4.884 4.469 ( 0.943 -0.176 0.927) 1.334 4.967 ( 4.207 1.403 -4.439) 6.275 5.585 ( -1.463 2.596 1.127) 3.187 7.593 ( -0.956 0.741 1.727) 2.108 7.972 ( -2.437 0.313 2.061) 3.207 8.301 ( 7.600 1.391 -2.093) 8.005 8.378 ( 0.959 -2.357 -2.546) 3.599 8.929 ( -1.237 -1.796 5.572) 5.984 9.345 ( -1.536 -2.612 -1.942) 3.599 17.875 ( -4.137 1.678 4.190) 6.122 18.113 ( 1.486 0.090 2.479) 2.892 18.135 ( -1.111 2.261 -4.234) 4.927 18.986 ( 3.808 0.171 -5.513) 6.703 19.384 ( -0.731 -1.594 1.970) 2.638 19.664 ( 0.326 -0.436 -1.509) 1.604 ======================= Grid point 163 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -3.622 4.867 0.106) 6.068 1.232 ( -1.534 -1.912 -2.659) 3.616 1.401 ( 7.616 11.254 4.039) 14.177 1.485 ( -3.078 2.746 2.595) 4.873 1.645 ( -0.293 1.359 3.017) 3.322 1.827 ( -0.156 1.564 4.990) 5.232 1.881 ( 0.553 1.169 1.010) 1.641 1.943 ( -3.125 -1.174 3.429) 4.785 2.018 ( 0.665 -2.714 0.342) 2.815 2.040 ( 3.833 -5.127 -0.323) 6.410 2.191 ( 2.132 3.996 -0.237) 4.535 2.240 ( -3.402 -1.250 2.128) 4.203 2.307 ( 0.612 0.250 2.139) 2.239 2.363 ( -1.678 -7.777 -0.314) 7.962 2.519 ( 1.218 -1.615 -1.740) 2.668 2.558 ( -0.785 4.826 0.651) 4.933 2.644 ( -1.354 2.593 -1.346) 3.220 2.747 ( 1.521 0.278 5.723) 5.929 2.837 ( -1.644 1.292 2.169) 3.013 3.061 ( -2.232 -4.972 -2.540) 6.013 3.210 ( -1.960 1.177 -0.202) 2.295 3.287 ( 1.901 2.212 -2.915) 4.124 3.434 ( 0.843 -5.030 -2.908) 5.871 3.513 ( -0.002 1.701 -0.794) 1.877 3.576 ( -0.320 -1.726 -0.948) 1.995 3.824 ( 0.695 -4.756 0.002) 4.807 4.396 ( -0.602 -1.713 4.333) 4.698 4.512 ( 3.606 -0.977 0.816) 3.824 4.953 ( -0.808 4.097 -5.663) 7.036 5.502 ( -4.317 4.579 2.337) 6.713 7.581 ( 0.550 1.378 1.365) 2.016 7.949 ( -1.225 -0.637 2.394) 2.764 8.325 ( 0.448 3.964 -4.239) 5.821 8.435 ( 3.087 -2.094 -2.260) 4.361 9.003 ( 1.991 -7.084 8.939) 11.578 9.358 ( -2.052 -5.151 -2.976) 6.293 17.811 ( -1.625 2.991 3.519) 4.896 18.068 ( 0.621 5.963 -3.457) 6.921 18.158 ( 2.154 -0.997 3.270) 4.041 18.979 ( -0.029 3.307 -7.631) 8.317 19.421 ( -0.257 -4.980 2.300) 5.491 19.681 ( 1.313 -0.711 -1.538) 2.143 ======================= Grid point 164 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.356 2.684 3.300) 4.268 1.187 ( -1.386 3.885 0.124) 4.127 1.392 ( -3.563 6.440 1.009) 7.429 1.406 ( 7.367 9.963 1.481) 12.479 1.645 ( 3.100 2.854 0.765) 4.282 1.764 ( -4.816 1.814 5.155) 7.284 1.840 ( -3.240 0.930 4.351) 5.504 2.001 ( 3.764 -2.575 0.420) 4.580 2.028 ( -2.252 -1.284 0.935) 2.756 2.083 ( -1.529 3.122 -1.750) 3.892 2.165 ( 0.347 2.299 1.160) 2.598 2.235 ( 1.571 0.526 2.321) 2.851 2.354 ( 2.862 -1.858 3.470) 4.867 2.439 ( -0.574 -7.769 0.969) 7.850 2.490 ( 0.584 1.973 -0.791) 2.204 2.572 ( 3.769 -1.320 -0.718) 4.057 2.648 ( 2.355 -0.416 -2.729) 3.629 2.768 ( -2.458 -1.945 6.485) 7.202 2.856 ( 3.753 0.662 1.683) 4.166 3.036 ( -3.879 -2.278 -2.485) 5.140 3.176 ( -2.339 -0.937 -0.509) 2.571 3.296 ( 2.547 0.676 -3.103) 4.071 3.439 ( -3.456 -2.190 -2.125) 4.611 3.514 ( 2.070 1.346 -1.772) 3.039 3.615 ( 0.265 -2.580 -0.039) 2.594 3.886 ( -0.124 -5.362 1.241) 5.505 4.417 ( -0.806 -2.323 2.498) 3.505 4.606 ( 5.134 -2.037 2.210) 5.950 4.822 ( -4.465 7.473 -5.862) 10.496 5.372 ( -5.025 5.455 1.854) 7.645 7.586 ( 1.715 1.362 0.851) 2.349 7.965 ( 0.188 -2.139 3.557) 4.155 8.223 ( -4.580 5.307 -3.721) 7.937 8.488 ( 2.193 -0.858 -2.609) 3.515 9.177 ( 2.904 -10.788 9.073) 14.393 9.369 ( -4.045 -6.073 -3.797) 8.226 17.787 ( 2.250 2.855 1.738) 4.029 18.008 ( 1.567 5.995 -1.814) 6.457 18.218 ( 4.127 0.388 2.063) 4.630 18.880 ( -1.891 6.758 -9.105) 11.495 19.487 ( -1.536 -6.828 3.096) 7.653 19.709 ( 1.484 -0.905 -1.643) 2.392 ======================= Grid point 165 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 2.008 1.224 6.913) 7.302 1.152 ( 4.382 6.369 4.489) 8.940 1.228 ( -4.578 8.552 2.093) 9.924 1.428 ( 6.541 4.768 -1.158) 8.177 1.663 ( 1.884 3.357 -4.190) 5.689 1.690 ( -2.413 0.196 2.734) 3.652 1.799 ( -4.490 1.240 4.542) 6.506 1.952 ( -0.865 3.884 -4.009) 5.648 2.013 ( -4.085 -0.575 0.350) 4.140 2.077 ( 4.125 5.486 7.282) 10.008 2.162 ( 1.548 -0.640 0.397) 1.722 2.272 ( 2.649 0.892 2.359) 3.657 2.404 ( -0.800 -2.171 1.718) 2.882 2.508 ( 0.357 -5.679 1.131) 5.801 2.538 ( 2.097 -2.026 1.547) 3.300 2.656 ( 6.374 2.593 -4.748) 8.361 2.674 ( 0.782 -1.356 3.566) 3.895 2.807 ( 2.101 -4.144 2.096) 5.097 2.900 ( 2.063 0.314 0.893) 2.270 3.011 ( -2.409 -3.144 -2.617) 4.747 3.154 ( -1.736 -1.144 -0.421) 2.122 3.322 ( 0.510 -1.217 -0.602) 1.451 3.425 ( -1.698 -3.498 -0.521) 3.923 3.498 ( -0.394 2.259 -3.378) 4.083 3.615 ( -0.557 1.548 -0.170) 1.654 3.941 ( -2.087 -5.782 1.282) 6.279 4.428 ( -1.424 -1.134 -0.558) 1.904 4.618 ( -3.207 4.823 -2.822) 6.443 4.737 ( 2.563 1.591 4.997) 5.837 5.267 ( -0.399 3.228 -1.461) 3.566 7.612 ( 2.719 0.200 0.390) 2.754 8.012 ( 0.297 -2.769 4.315) 5.136 8.066 ( -6.317 4.799 -1.502) 8.074 8.508 ( 1.191 0.642 -2.843) 3.148 9.330 ( -7.683 -9.380 -0.459) 12.133 9.358 ( 1.024 -5.680 3.228) 6.613 17.827 ( 4.914 0.334 -0.982) 5.022 17.976 ( 2.316 4.316 -0.603) 4.936 18.281 ( 5.201 2.319 0.414) 5.710 18.743 ( -0.776 8.057 -9.040) 12.135 19.531 ( -3.652 -5.949 3.812) 7.953 19.735 ( 0.872 -0.929 -1.451) 1.931 ======================= Grid point 170 (84/129) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -5.616 -0.000 -1.132) 5.729 1.192 ( -0.536 -0.000 -3.476) 3.517 1.514 ( -1.369 -0.000 4.158) 4.378 1.535 ( 4.290 -0.000 4.683) 6.351 1.678 ( 1.232 -0.000 1.692) 2.093 1.861 ( -2.608 -0.000 5.490) 6.078 1.874 ( 7.476 0.000 -1.537) 7.632 1.938 ( 1.273 -0.000 4.038) 4.235 1.949 ( -1.352 -0.000 -1.244) 1.837 1.976 ( 0.052 0.000 1.595) 1.596 2.228 ( -2.442 -0.000 1.361) 2.796 2.236 ( -0.519 0.000 3.216) 3.258 2.279 ( -0.729 -0.000 1.338) 1.524 2.312 ( -1.402 -0.000 -1.245) 1.875 2.494 ( 5.108 -0.000 -3.326) 6.095 2.550 ( 1.360 -0.000 2.047) 2.458 2.726 ( -6.403 -0.000 3.006) 7.074 2.826 ( 0.214 -0.000 0.552) 0.592 2.863 ( -0.238 -0.000 -1.270) 1.293 2.956 ( 0.573 0.000 -0.116) 0.585 3.243 ( -4.452 -0.000 2.752) 5.234 3.299 ( 0.109 0.000 -2.334) 2.336 3.352 ( 1.306 -0.000 -1.145) 1.737 3.528 ( 3.356 -0.000 -1.566) 3.703 3.583 ( -3.902 -0.000 -2.782) 4.792 3.749 ( 2.474 0.000 -2.465) 3.492 4.375 ( -0.735 -0.000 5.214) 5.266 4.498 ( 2.898 -0.000 -0.140) 2.901 5.005 ( 0.601 -0.000 -4.491) 4.531 5.553 ( -5.117 -0.000 2.421) 5.661 7.600 ( 0.658 -0.000 1.701) 1.823 7.942 ( -1.919 -0.000 1.857) 2.670 8.384 ( 2.337 -0.000 -2.121) 3.156 8.398 ( 3.358 0.000 -4.034) 5.249 8.919 ( 0.125 -0.000 7.620) 7.621 9.297 ( -1.744 -0.000 -2.742) 3.250 17.851 ( -1.648 -0.000 4.209) 4.520 18.122 ( 0.163 -0.000 3.850) 3.853 18.164 ( 2.866 -0.000 -4.786) 5.579 19.002 ( -0.164 -0.000 -4.904) 4.907 19.369 ( -0.322 -0.000 1.295) 1.334 19.673 ( 1.499 -0.000 -1.683) 2.254 ======================= Grid point 172 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -2.897 0.941 -0.745) 3.136 1.183 ( -1.280 -1.590 -2.449) 3.189 1.494 ( -0.358 2.797 1.944) 3.425 1.607 ( 3.276 1.753 3.141) 4.866 1.672 ( 0.541 1.960 2.345) 3.104 1.804 ( -2.837 3.520 5.573) 7.176 1.898 ( -3.662 3.289 1.532) 5.156 1.957 ( 3.399 -0.300 -0.812) 3.507 1.986 ( 0.112 -1.056 1.930) 2.202 2.042 ( 3.058 -5.258 0.401) 6.095 2.208 ( 1.128 0.098 -0.253) 1.160 2.264 ( -1.445 -3.672 2.440) 4.640 2.268 ( 2.240 0.154 2.758) 3.557 2.322 ( 2.169 -1.385 0.965) 2.748 2.542 ( 1.440 2.236 -4.427) 5.165 2.587 ( 2.512 -1.000 0.842) 2.832 2.638 ( -3.785 1.345 2.963) 4.992 2.800 ( 0.494 3.169 2.041) 3.802 2.884 ( 3.785 1.363 -0.441) 4.047 2.979 ( -1.453 -2.493 0.413) 2.915 3.186 ( -2.447 1.365 2.499) 3.754 3.253 ( -3.471 -3.182 -3.455) 5.840 3.420 ( 2.621 -0.933 -0.434) 2.816 3.512 ( -2.127 -0.203 -2.343) 3.171 3.582 ( 3.270 0.172 -1.900) 3.786 3.791 ( 1.168 -2.659 -1.969) 3.509 4.377 ( -1.307 -0.962 4.709) 4.980 4.563 ( 4.669 -1.242 -0.341) 4.844 4.952 ( -3.419 3.268 -4.513) 6.538 5.450 ( -7.460 1.499 3.121) 8.225 7.618 ( 1.831 1.058 1.382) 2.526 7.930 ( -0.730 -0.819 2.263) 2.515 8.340 ( -3.723 4.640 -3.697) 7.004 8.449 ( 2.401 -2.778 -2.727) 4.574 8.992 ( 2.978 -4.516 7.374) 9.146 9.277 ( -1.458 -2.008 -2.960) 3.862 17.845 ( 0.772 1.672 3.164) 3.661 18.116 ( -0.083 2.657 1.697) 3.154 18.218 ( 5.581 -0.025 -2.813) 6.250 18.954 ( -3.834 0.623 -5.291) 6.564 19.386 ( 0.446 -1.910 1.835) 2.686 19.697 ( 1.810 -0.208 -1.779) 2.546 ======================= Grid point 173 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.425 -0.363 1.169) 1.296 1.184 ( 0.865 -1.780 -2.751) 3.388 1.420 ( -3.665 6.958 0.794) 7.904 1.565 ( -2.954 2.230 2.216) 4.314 1.699 ( -2.209 3.090 4.811) 6.130 1.757 ( 4.086 4.244 1.755) 6.147 1.798 ( -3.922 0.905 5.000) 6.419 1.947 ( -3.718 -1.326 0.171) 3.951 2.059 ( 4.672 -0.428 -1.498) 4.925 2.081 ( 0.695 -0.091 -2.106) 2.219 2.221 ( 0.812 1.595 2.806) 3.328 2.309 ( 3.042 2.701 2.781) 4.928 2.350 ( 1.468 -6.841 1.552) 7.167 2.394 ( 2.912 -0.258 1.332) 3.213 2.495 ( -1.801 -0.213 0.325) 1.843 2.597 ( 1.623 -1.419 0.569) 2.230 2.701 ( 5.760 -3.954 0.017) 6.986 2.788 ( 1.607 3.255 2.508) 4.413 2.920 ( 2.320 1.036 -0.942) 2.710 2.968 ( -1.844 -0.906 0.295) 2.076 3.149 ( -0.857 1.398 1.613) 2.301 3.254 ( -1.709 -3.884 -2.590) 4.971 3.416 ( 0.173 1.564 -2.233) 2.732 3.517 ( -0.369 -1.365 -2.152) 2.575 3.624 ( 2.621 -0.112 -0.387) 2.652 3.827 ( -0.672 -3.458 -0.992) 3.659 4.383 ( -1.379 -1.899 2.919) 3.745 4.656 ( 3.860 -1.445 0.252) 4.129 4.822 ( -4.263 5.118 -2.537) 7.127 5.324 ( -6.455 1.485 1.811) 6.867 7.638 ( 2.485 1.852 0.773) 3.194 7.952 ( 0.349 -2.209 3.171) 3.880 8.180 ( -7.631 4.915 -2.059) 9.308 8.506 ( 2.483 -1.332 -2.698) 3.901 9.107 ( -0.975 -7.789 2.722) 8.308 9.288 ( 1.472 -1.720 -0.616) 2.347 17.853 ( 1.950 1.527 1.267) 2.782 18.080 ( 0.413 4.153 0.443) 4.197 18.309 ( 6.669 0.297 -2.497) 7.127 18.850 ( -5.419 1.568 -6.038) 8.263 19.427 ( 0.258 -2.681 2.979) 4.016 19.722 ( 1.670 -0.220 -1.632) 2.346 ======================= Grid point 174 (87/129) ======================= q-point: (-0.12 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.351 -2.711 4.938) 5.644 1.228 ( -6.363 5.459 1.243) 8.475 1.274 ( 6.046 0.335 -0.875) 6.118 1.498 ( -7.866 -3.762 2.751) 9.143 1.616 ( -0.092 6.248 3.824) 7.326 1.741 ( -0.139 2.523 2.440) 3.512 1.803 ( 1.774 4.187 -0.854) 4.627 1.902 ( -3.790 -1.732 -0.918) 4.267 2.032 ( 1.572 4.637 -2.842) 5.661 2.155 ( 3.122 -1.689 -1.536) 3.868 2.232 ( 0.971 -0.265 3.777) 3.908 2.298 ( 1.633 4.352 0.564) 4.682 2.394 ( 1.158 -0.215 2.427) 2.698 2.435 ( -4.290 -5.706 4.269) 8.317 2.524 ( -0.545 -2.225 5.551) 6.005 2.668 ( 2.656 -2.532 -2.181) 4.269 2.784 ( 1.713 0.931 3.664) 4.151 2.871 ( 10.207 -0.024 -0.880) 10.245 2.925 ( -0.220 -1.022 -2.458) 2.671 2.963 ( 0.545 -0.914 -1.445) 1.794 3.141 ( 1.100 0.709 0.411) 1.371 3.247 ( -3.646 -2.552 -0.020) 4.451 3.406 ( -0.024 0.199 -1.856) 1.867 3.497 ( -0.271 1.468 -3.534) 3.836 3.651 ( 1.711 1.851 -0.159) 2.525 3.846 ( -2.291 -4.289 0.394) 4.879 4.394 ( -0.725 -2.133 0.464) 2.300 4.625 ( -2.479 5.137 -2.961) 6.426 4.780 ( -0.073 0.459 6.818) 6.834 5.261 ( -0.669 -1.742 -2.498) 3.118 7.661 ( 2.724 1.273 0.178) 3.012 7.973 ( -4.415 0.708 -0.392) 4.488 8.035 ( -2.048 0.419 4.456) 4.922 8.539 ( 2.386 0.866 -2.648) 3.668 9.120 ( -6.944 -6.174 -2.777) 9.698 9.363 ( 3.929 -1.766 2.736) 5.103 17.876 ( 1.706 -0.498 -0.714) 1.916 18.043 ( 0.518 3.695 0.057) 3.732 18.387 ( 5.061 1.901 -3.095) 6.230 18.742 ( -3.293 1.068 -6.666) 7.512 19.459 ( -0.779 -1.701 3.990) 4.406 19.742 ( 1.125 0.135 -1.195) 1.646 ======================= Grid point 180 (88/129) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -1.125 -0.000 -1.383) 1.783 1.150 ( -0.310 -0.000 -2.494) 2.513 1.527 ( 0.608 0.000 1.251) 1.391 1.536 ( -10.711 -0.000 3.191) 11.176 1.710 ( 3.823 0.000 1.539) 4.121 1.849 ( 0.170 0.000 3.987) 3.991 1.850 ( -7.300 -0.000 2.604) 7.751 1.943 ( -2.537 -0.000 1.396) 2.896 2.052 ( 6.126 0.000 -0.614) 6.157 2.068 ( 5.124 0.000 -1.701) 5.399 2.218 ( -1.919 -0.000 4.619) 5.002 2.262 ( 4.828 0.000 -0.898) 4.910 2.333 ( 4.429 0.000 5.071) 6.733 2.363 ( 2.181 0.000 2.882) 3.614 2.575 ( -2.752 -0.000 -0.122) 2.755 2.595 ( 1.224 0.000 -4.130) 4.308 2.601 ( 1.881 0.000 -0.236) 1.896 2.807 ( -0.855 -0.000 1.221) 1.491 2.952 ( 3.089 0.000 -1.849) 3.600 2.959 ( -1.435 -0.000 2.484) 2.868 3.187 ( -0.230 -0.000 -2.299) 2.310 3.191 ( 0.903 0.000 4.351) 4.444 3.440 ( -0.453 -0.000 -2.008) 2.059 3.478 ( 0.474 0.000 -1.365) 1.445 3.627 ( 2.639 0.000 -2.055) 3.345 3.789 ( 0.992 0.000 -2.625) 2.806 4.359 ( -1.793 -0.000 4.499) 4.843 4.630 ( 4.951 0.000 -0.541) 4.981 4.890 ( -5.450 -0.000 -4.058) 6.795 5.338 ( -8.257 -0.000 3.147) 8.836 7.667 ( 3.081 0.000 1.449) 3.405 7.924 ( -0.139 -0.000 2.621) 2.625 8.255 ( -9.241 -0.000 -2.263) 9.514 8.471 ( 3.661 0.000 -3.012) 4.741 9.014 ( 0.307 0.000 2.524) 2.542 9.270 ( 2.959 0.000 -0.443) 2.992 17.875 ( 0.759 0.000 2.167) 2.296 18.134 ( -0.643 -0.000 3.277) 3.340 18.309 ( 7.602 0.000 -6.597) 10.065 18.857 ( -7.030 -0.000 -3.997) 8.087 19.401 ( 1.917 0.000 2.261) 2.964 19.721 ( 1.960 0.000 -1.666) 2.573 ======================= Grid point 181 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.191 -0.827 0.633) 2.426 1.180 ( 3.395 -2.538 -4.044) 5.858 1.360 ( -11.923 -0.727 2.982) 12.312 1.477 ( -6.498 3.841 1.969) 7.801 1.733 ( -2.946 3.322 2.508) 5.100 1.778 ( -1.597 -1.782 2.892) 3.754 1.842 ( 2.114 0.582 1.370) 2.586 1.906 ( -1.075 2.239 2.717) 3.681 2.123 ( 3.559 1.152 -4.260) 5.670 2.140 ( 4.374 1.769 1.155) 4.858 2.200 ( -1.622 -0.973 3.691) 4.147 2.317 ( -7.995 -2.360 5.538) 10.008 2.382 ( 5.064 -2.451 0.301) 5.635 2.404 ( 3.014 1.985 3.970) 5.365 2.516 ( 1.441 4.176 -1.629) 4.709 2.628 ( 3.872 -0.683 -2.883) 4.875 2.705 ( 3.449 -8.152 -0.984) 8.906 2.809 ( -0.107 -0.564 2.654) 2.716 2.946 ( 0.381 -0.360 -0.820) 0.973 2.970 ( 1.434 1.199 -1.810) 2.602 3.176 ( 0.135 2.016 0.594) 2.106 3.239 ( 2.632 0.581 2.124) 3.432 3.411 ( -1.554 -0.333 -3.246) 3.614 3.507 ( 2.102 -0.264 -0.987) 2.337 3.667 ( 3.260 -0.076 -0.440) 3.291 3.792 ( -0.479 -0.442 -2.214) 2.308 4.348 ( -1.715 -1.237 3.030) 3.695 4.701 ( 2.670 0.323 0.025) 2.689 4.783 ( -4.415 1.039 -1.718) 4.850 5.234 ( -5.473 -0.588 1.141) 5.622 7.714 ( 3.920 2.327 1.156) 4.703 7.943 ( 0.240 -1.618 3.263) 3.650 8.085 ( -9.230 2.105 -0.448) 9.477 8.527 ( 3.350 -1.253 -3.487) 4.995 9.004 ( -3.671 -2.945 -0.734) 4.763 9.350 ( 6.128 0.066 1.607) 6.335 17.878 ( -0.489 0.285 0.847) 1.019 18.117 ( -0.687 2.103 2.094) 3.046 18.408 ( 7.012 0.212 -8.021) 10.656 18.730 ( -8.091 -1.057 -3.906) 9.047 19.446 ( 2.638 0.067 3.195) 4.144 19.747 ( 1.934 0.190 -1.217) 2.293 ======================= Grid point 182 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -2.204 -3.791 3.881) 5.856 1.150 ( -10.938 2.978 3.203) 11.780 1.273 ( -10.073 -6.345 2.692) 12.206 1.362 ( 4.850 -0.954 -1.412) 5.141 1.653 ( -3.467 2.637 -0.293) 4.365 1.754 ( -4.065 -2.191 -1.025) 4.730 1.859 ( -0.411 3.943 3.958) 5.602 1.896 ( 4.094 4.237 2.535) 6.414 2.102 ( -4.078 1.228 1.480) 4.509 2.146 ( -0.493 -1.600 0.171) 1.683 2.233 ( 0.325 -2.425 1.059) 2.666 2.262 ( -1.811 -1.810 2.389) 3.502 2.412 ( 2.949 4.155 1.802) 5.405 2.456 ( 3.170 1.254 2.524) 4.242 2.506 ( -2.395 0.520 2.304) 3.364 2.676 ( 1.915 -1.067 -3.932) 4.501 2.827 ( -2.547 -5.800 -1.103) 6.430 2.832 ( 3.037 -1.095 3.107) 4.480 2.981 ( 2.595 0.156 -2.234) 3.427 2.994 ( 3.964 -1.987 -2.761) 5.224 3.157 ( -0.043 1.023 0.491) 1.136 3.251 ( 1.966 3.122 1.234) 3.890 3.389 ( -1.148 -0.970 -1.666) 2.244 3.524 ( 2.089 2.922 -2.708) 4.498 3.701 ( 1.376 2.514 -0.691) 2.948 3.793 ( 0.471 -2.222 0.891) 2.440 4.356 ( -0.589 -2.793 0.652) 2.928 4.634 ( -2.890 4.541 -2.869) 6.100 4.796 ( 0.974 -1.152 6.705) 6.873 5.207 ( -0.690 -3.820 -3.107) 4.972 7.735 ( 2.827 4.148 0.559) 5.050 7.901 ( -5.797 1.404 -0.635) 5.999 8.024 ( 0.408 -2.818 5.512) 6.204 8.581 ( 3.414 -0.427 -4.052) 5.316 8.972 ( -4.320 -2.815 -0.031) 5.156 9.443 ( 5.630 1.061 1.753) 5.991 17.865 ( -1.642 -1.166 -0.497) 2.074 18.078 ( -0.900 3.126 0.666) 3.321 18.445 ( 0.196 2.068 -5.765) 6.128 18.648 ( -2.913 -4.604 -7.150) 8.989 19.488 ( 2.618 1.751 4.025) 5.110 19.764 ( 1.210 0.872 -0.751) 1.670 ======================= Grid point 189 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.155 -0.000 0.737) 3.240 1.148 ( -14.024 -0.000 4.833) 14.834 1.196 ( -0.859 -0.000 -2.050) 2.223 1.408 ( -4.778 -0.000 1.687) 5.067 1.662 ( -8.355 -0.000 -2.369) 8.685 1.740 ( -0.654 -0.000 1.350) 1.500 1.875 ( -5.536 -0.000 6.761) 8.739 1.944 ( 5.789 0.000 3.074) 6.555 2.106 ( -4.710 -0.000 4.221) 6.325 2.125 ( -9.964 -0.000 7.705) 12.596 2.187 ( 2.918 0.000 -0.625) 2.984 2.321 ( 7.720 0.000 -4.004) 8.696 2.460 ( 4.688 0.000 0.212) 4.692 2.469 ( 2.668 0.000 3.249) 4.204 2.524 ( -2.913 -0.000 -4.012) 4.958 2.668 ( 2.394 0.000 -3.304) 4.080 2.683 ( 2.135 0.000 -1.011) 2.362 2.835 ( 2.153 0.000 4.897) 5.350 2.960 ( 2.369 0.000 -3.361) 4.113 2.990 ( 1.729 0.000 -1.683) 2.413 3.177 ( -0.812 -0.000 -1.486) 1.693 3.316 ( 3.907 0.000 3.907) 5.526 3.347 ( -4.129 -0.000 -1.819) 4.512 3.565 ( 4.386 0.000 -2.471) 5.034 3.733 ( 5.109 0.000 1.207) 5.250 3.772 ( -1.556 -0.000 -2.338) 2.809 4.321 ( -1.572 -0.000 2.212) 2.713 4.701 ( -4.673 -0.000 -3.222) 5.676 4.758 ( 3.236 0.000 2.919) 4.358 5.165 ( -2.831 -0.000 -0.311) 2.848 7.810 ( 5.512 0.000 1.087) 5.618 7.947 ( 0.349 0.000 4.305) 4.319 7.949 ( -8.778 -0.000 -0.490) 8.791 8.562 ( 3.286 0.000 -4.474) 5.551 8.939 ( -2.481 -0.000 1.791) 3.060 9.459 ( 6.767 0.000 1.607) 6.955 17.853 ( -2.823 -0.000 0.282) 2.837 18.121 ( -0.876 -0.000 2.189) 2.358 18.477 ( 4.545 0.000 -12.846) 13.626 18.574 ( -9.209 -0.000 -2.601) 9.569 19.512 ( 4.237 0.000 3.497) 5.494 19.776 ( 1.755 0.000 -0.632) 1.866 ======================= Grid point 190 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -3.187 -2.610 2.695) 4.923 0.971 ( -12.738 -2.950 6.296) 14.512 1.065 ( -13.478 0.836 6.267) 14.887 1.429 ( 5.410 -1.456 -2.242) 6.035 1.539 ( -8.503 -4.336 -3.045) 10.019 1.672 ( -7.234 2.907 1.208) 7.889 1.803 ( -8.761 -8.388 8.131) 14.603 1.981 ( -3.090 5.852 6.553) 9.313 2.038 ( 4.311 1.490 1.904) 4.942 2.117 ( -3.016 -4.003 4.816) 6.951 2.217 ( 3.793 2.726 -3.204) 5.664 2.359 ( 2.416 2.228 -4.780) 5.801 2.437 ( -5.351 0.847 2.735) 6.069 2.502 ( 1.930 1.102 0.495) 2.276 2.544 ( 5.020 2.567 -0.668) 5.678 2.676 ( 0.266 0.007 -3.797) 3.806 2.720 ( -1.598 -3.659 -0.824) 4.077 2.897 ( 3.344 0.229 3.280) 4.689 2.971 ( -1.419 -1.941 -2.162) 3.234 3.029 ( 3.569 0.096 -1.961) 4.073 3.175 ( 0.759 -0.288 -1.635) 1.826 3.303 ( 2.296 0.659 -1.136) 2.645 3.380 ( 2.157 -0.483 2.481) 3.322 3.586 ( 0.574 2.926 -2.901) 4.160 3.715 ( -2.792 2.223 -1.964) 4.073 3.829 ( 5.096 -0.768 3.044) 5.986 4.318 ( -0.658 -2.223 0.398) 2.352 4.618 ( -3.093 2.136 -2.442) 4.483 4.836 ( 4.389 -1.285 3.961) 6.050 5.146 ( -1.236 -2.767 -2.716) 4.069 7.794 ( -6.941 4.316 -1.068) 8.243 7.871 ( 3.981 2.249 0.876) 4.656 8.006 ( 1.005 -4.529 4.651) 6.569 8.605 ( 2.770 -1.251 -5.839) 6.583 8.949 ( 3.012 0.146 7.953) 8.505 9.555 ( 5.843 1.516 1.758) 6.288 17.805 ( -3.671 -1.198 -0.545) 3.900 18.097 ( -1.110 2.936 0.910) 3.268 18.397 ( -7.391 2.681 -4.225) 8.925 18.523 ( -2.044 -7.320 -13.054) 15.105 19.581 ( 4.637 2.062 3.021) 5.906 19.794 ( 1.307 1.053 0.171) 1.687 ======================= Grid point 198 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -12.689 -0.000 10.802) 16.665 0.796 ( -5.295 -0.000 1.047) 5.398 0.894 ( -11.273 -0.000 10.200) 15.202 1.313 ( -13.979 -0.000 8.554) 16.389 1.509 ( 5.438 0.000 -2.105) 5.832 1.534 ( -10.431 -0.000 5.139) 11.628 1.678 ( -2.820 -0.000 -4.104) 4.979 1.981 ( -4.462 -0.000 5.274) 6.909 2.054 ( 0.531 0.000 1.160) 1.276 2.140 ( 1.693 0.000 4.294) 4.616 2.291 ( -7.338 -0.000 -0.728) 7.374 2.299 ( 4.439 0.000 -1.116) 4.577 2.409 ( 0.191 0.000 -3.233) 3.239 2.513 ( -1.065 -0.000 1.702) 2.007 2.607 ( -0.611 -0.000 -5.012) 5.049 2.691 ( 0.248 0.000 -1.096) 1.124 2.707 ( 4.759 0.000 -2.520) 5.385 2.912 ( -2.951 -0.000 0.236) 2.961 2.959 ( 3.766 0.000 2.036) 4.281 3.097 ( 5.011 0.000 -0.906) 5.093 3.143 ( -2.346 -0.000 -2.371) 3.335 3.401 ( 8.660 0.000 -1.238) 8.748 3.415 ( 0.922 0.000 3.292) 3.419 3.564 ( -3.968 -0.000 -2.766) 4.837 3.669 ( -3.945 -0.000 -1.632) 4.269 3.919 ( 5.363 0.000 3.745) 6.542 4.295 ( -0.469 -0.000 0.029) 0.470 4.583 ( -2.068 -0.000 -1.943) 2.837 4.916 ( 5.515 0.000 -0.074) 5.516 5.083 ( -4.491 -0.000 -3.198) 5.514 7.683 ( -8.448 -0.000 -2.006) 8.683 7.977 ( 4.085 0.000 -1.145) 4.242 7.987 ( 0.353 0.000 6.397) 6.406 8.621 ( 2.107 0.000 -6.263) 6.608 9.132 ( 16.644 0.000 14.938) 22.364 9.656 ( 4.947 0.000 2.909) 5.739 17.735 ( -3.646 -0.000 -1.048) 3.794 18.119 ( 0.464 0.000 1.257) 1.340 18.297 ( -13.883 -0.000 -18.218) 22.905 18.300 ( -7.186 -0.000 -1.477) 7.337 19.671 ( 4.314 0.000 0.425) 4.334 19.833 ( 2.484 0.000 1.563) 2.934 ======================= Grid point 199 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -1.370 -0.000 5.547) 5.714 0.829 ( -0.099 -0.000 8.560) 8.561 0.906 ( -0.555 -0.000 3.547) 3.590 1.266 ( 2.433 0.000 -6.794) 7.216 1.503 ( 1.170 0.000 -4.882) 5.020 1.554 ( -1.107 -0.000 16.653) 16.690 1.567 ( 0.186 0.000 -1.163) 1.177 1.951 ( -1.941 -0.000 3.079) 3.640 2.012 ( -1.537 -0.000 -1.492) 2.142 2.083 ( -1.669 -0.000 -0.559) 1.761 2.213 ( -2.183 -0.000 5.019) 5.473 2.309 ( -0.626 -0.000 -7.971) 7.996 2.359 ( 3.583 0.000 -6.431) 7.362 2.418 ( -0.365 -0.000 0.528) 0.642 2.498 ( 0.100 0.000 0.806) 0.812 2.701 ( 1.914 0.000 -1.284) 2.304 2.829 ( -0.792 -0.000 0.262) 0.834 2.912 ( 0.078 0.000 0.938) 0.941 3.048 ( -0.039 -0.000 0.453) 0.455 3.111 ( -0.239 -0.000 1.735) 1.752 3.212 ( 0.817 0.000 -0.386) 0.903 3.325 ( -0.390 -0.000 0.173) 0.426 3.455 ( -0.707 -0.000 1.530) 1.685 3.550 ( -0.540 -0.000 -0.560) 0.778 3.656 ( 0.091 0.000 -0.831) 0.836 4.163 ( 2.774 0.000 0.218) 2.782 4.282 ( -0.000 -0.000 -0.250) 0.250 4.530 ( 0.287 0.000 -0.645) 0.706 4.734 ( -4.778 -0.000 1.693) 5.069 4.972 ( 0.849 0.000 -1.521) 1.742 7.551 ( 0.016 0.000 0.991) 0.991 8.006 ( -0.150 -0.000 -0.806) 0.820 8.189 ( 0.158 0.000 7.550) 7.552 8.459 ( -0.345 -0.000 -7.418) 7.426 9.618 ( 0.152 0.000 -0.571) 0.591 9.974 ( 2.462 0.000 0.201) 2.470 17.626 ( 0.079 0.000 -0.402) 0.410 17.765 ( -0.726 -0.000 0.259) 0.771 18.135 ( -2.560 -0.000 0.558) 2.620 18.176 ( 2.668 0.000 -0.624) 2.740 19.746 ( 0.628 0.000 -0.493) 0.798 19.893 ( -0.391 -0.000 0.146) 0.417 ======================= Grid point 200 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.675 -10.684 4.831) 11.745 0.930 ( 5.170 -2.283 4.117) 6.992 0.981 ( 6.734 -5.270 6.857) 10.961 1.291 ( 1.530 -3.409 -8.994) 9.739 1.430 ( 5.408 11.544 -1.565) 12.844 1.570 ( -2.404 -3.926 -1.640) 4.887 1.759 ( 5.203 -11.925 10.412) 16.664 1.931 ( -1.312 1.422 4.603) 4.994 2.017 ( 1.559 -2.432 0.603) 2.951 2.071 ( -0.262 -1.268 1.665) 2.110 2.216 ( -1.267 -0.192 7.061) 7.176 2.282 ( 0.841 1.757 -6.003) 6.311 2.370 ( -3.733 -1.422 -2.053) 4.492 2.422 ( 6.102 0.256 -6.032) 8.584 2.520 ( 2.316 1.857 0.726) 3.056 2.719 ( 0.644 2.099 -2.659) 3.448 2.753 ( -5.297 1.207 0.751) 5.485 2.886 ( -0.448 0.948 0.831) 1.338 3.032 ( -2.158 0.367 1.396) 2.597 3.112 ( 0.660 3.150 -0.989) 3.367 3.200 ( -1.119 0.308 -0.587) 1.301 3.370 ( 5.633 2.895 1.373) 6.481 3.451 ( -0.882 -1.008 2.454) 2.796 3.554 ( 1.568 1.670 0.015) 2.291 3.584 ( -8.191 -1.881 -1.497) 8.536 4.133 ( -3.379 1.729 -2.153) 4.364 4.304 ( -1.082 -3.928 -1.219) 4.253 4.538 ( 1.389 0.480 -0.948) 1.749 4.751 ( 3.394 -0.118 6.531) 7.362 5.017 ( 2.625 -4.535 -1.897) 5.572 7.580 ( 3.227 0.099 0.652) 3.294 7.994 ( -2.486 -1.523 -0.422) 2.946 8.192 ( -0.645 1.743 5.440) 5.749 8.432 ( -0.810 -0.288 -4.889) 4.964 9.544 ( -6.413 3.054 -1.374) 7.234 9.884 ( -7.038 7.208 -1.198) 10.145 17.682 ( 5.992 -0.874 -1.610) 6.266 17.822 ( 5.888 -0.601 1.097) 6.019 18.135 ( -1.293 -4.969 1.763) 5.429 18.262 ( 5.203 -4.490 -2.510) 7.317 19.729 ( -1.743 0.887 -1.312) 2.355 19.853 ( -2.200 3.185 1.022) 4.003 ======================= Grid point 201 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -0.130 -11.916 1.882) 12.064 1.043 ( 6.048 -1.624 3.415) 7.133 1.221 ( 9.535 -7.201 8.817) 14.850 1.359 ( 4.881 -4.940 -11.761) 13.658 1.399 ( 5.128 7.717 -1.746) 9.428 1.569 ( -3.514 -5.236 -3.015) 6.989 1.861 ( -3.178 1.448 7.054) 7.871 1.975 ( 2.953 -1.771 4.487) 5.656 2.087 ( -2.869 2.098 2.025) 4.091 2.102 ( 0.111 -3.784 6.997) 7.956 2.196 ( 3.208 -2.076 0.352) 3.837 2.292 ( 1.058 -2.349 4.606) 5.277 2.396 ( 4.778 -4.216 -7.738) 10.024 2.496 ( -0.448 1.624 -1.071) 1.996 2.506 ( 3.677 0.787 -1.503) 4.050 2.634 ( -2.969 0.646 1.058) 3.217 2.740 ( 2.359 2.631 -3.048) 4.667 2.890 ( 1.803 1.155 0.259) 2.157 2.984 ( -3.850 0.681 4.331) 5.835 3.046 ( -0.710 5.857 -4.238) 7.264 3.177 ( -1.872 0.043 0.757) 2.020 3.396 ( 2.330 4.035 1.666) 4.948 3.413 ( -5.683 -1.018 -1.161) 5.889 3.530 ( -0.309 3.528 -1.215) 3.745 3.548 ( 0.062 -2.654 1.470) 3.035 4.040 ( -4.904 1.981 -2.002) 5.655 4.328 ( -0.708 -3.839 -0.898) 4.006 4.549 ( 1.204 1.062 -1.203) 2.006 4.813 ( -0.161 -2.935 6.437) 7.077 5.136 ( 5.765 -3.804 -2.167) 7.239 7.638 ( 4.463 1.371 0.525) 4.698 7.956 ( -4.658 -1.752 -0.879) 5.054 8.171 ( -0.290 1.787 3.739) 4.154 8.424 ( -0.479 -1.570 -1.821) 2.452 9.364 ( -9.743 4.059 -4.347) 11.415 9.662 ( -7.540 8.464 0.878) 11.370 17.788 ( 6.774 -0.102 -2.714) 7.298 17.921 ( 5.221 0.157 1.363) 5.398 18.213 ( 1.337 -6.609 2.526) 7.201 18.409 ( 5.651 -6.939 -3.951) 9.782 19.666 ( -3.717 2.249 -1.013) 4.461 19.779 ( -1.875 3.456 1.236) 4.121 ======================= Grid point 202 (97/129) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.975 -7.888 0.933) 8.002 1.155 ( 4.972 0.435 3.041) 5.845 1.361 ( 4.603 6.671 1.602) 8.262 1.458 ( 4.420 -7.481 -3.633) 9.418 1.507 ( 7.019 -5.013 -1.492) 8.753 1.573 ( -2.459 -5.462 -3.188) 6.786 1.800 ( -3.149 2.062 7.341) 8.250 1.929 ( -5.529 4.152 0.391) 6.926 2.005 ( 0.115 1.570 -0.326) 1.608 2.194 ( 0.884 -0.407 2.333) 2.527 2.245 ( -0.956 -3.469 4.578) 5.823 2.339 ( 0.372 1.437 2.871) 3.232 2.441 ( 0.239 -0.196 2.396) 2.416 2.529 ( 3.389 -2.169 -4.566) 6.086 2.562 ( -0.496 -3.205 -0.408) 3.268 2.689 ( 8.575 -3.956 -0.907) 9.487 2.727 ( 0.857 3.062 -1.327) 3.446 2.907 ( 1.632 1.467 -0.102) 2.197 2.933 ( -3.227 -0.764 4.157) 5.318 2.962 ( -0.548 4.208 -2.550) 4.951 3.149 ( -1.901 -0.932 1.247) 2.457 3.337 ( -1.724 5.261 -2.485) 6.068 3.377 ( -2.226 -2.095 -0.815) 3.163 3.458 ( -0.020 6.451 -1.206) 6.563 3.600 ( 0.896 -3.195 1.746) 3.749 3.936 ( -4.312 2.065 -1.113) 4.908 4.368 ( 0.597 -3.118 -0.242) 3.184 4.539 ( -0.261 1.457 -1.172) 1.889 4.858 ( -1.385 -4.487 6.005) 7.623 5.232 ( 4.149 0.143 -3.076) 5.167 7.676 ( 3.075 2.616 0.226) 4.044 7.899 ( -4.077 -1.645 -1.182) 4.553 8.173 ( 0.523 0.422 4.714) 4.762 8.440 ( 0.125 -2.314 -1.738) 2.897 9.156 ( -8.454 3.710 -5.004) 10.501 9.502 ( -3.321 4.905 1.711) 6.166 17.866 ( 4.182 0.609 -2.220) 4.774 17.981 ( 2.307 -0.147 0.672) 2.407 18.312 ( 1.425 -4.832 2.123) 5.466 18.549 ( 4.239 -4.693 -4.318) 7.658 19.572 ( -3.660 2.830 0.702) 4.680 19.736 ( -0.483 1.247 0.210) 1.354 ======================= Grid point 203 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -3.529 -3.550 2.917) 5.793 1.169 ( 0.089 5.695 4.534) 7.280 1.378 ( 4.886 1.600 -3.771) 6.376 1.491 ( -4.756 4.456 2.565) 7.004 1.558 ( -0.522 -0.698 -1.468) 1.708 1.649 ( 1.519 -6.045 -2.448) 6.697 1.826 ( 0.672 -1.112 4.940) 5.108 1.855 ( 1.105 -2.054 0.157) 2.337 1.980 ( -0.163 1.351 -3.373) 3.637 2.172 ( 0.573 -0.645 -0.521) 1.008 2.253 ( -0.646 0.456 -0.516) 0.944 2.379 ( 1.326 -2.542 4.399) 5.251 2.493 ( 3.612 -0.393 3.013) 4.720 2.506 ( -3.953 0.101 0.707) 4.017 2.553 ( -4.399 1.699 2.166) 5.190 2.688 ( -1.070 3.205 1.424) 3.667 2.824 ( 0.966 -0.875 -3.820) 4.036 2.892 ( -1.301 -0.094 3.128) 3.389 2.915 ( -1.498 -2.273 -0.789) 2.834 2.987 ( 6.851 0.504 -4.209) 8.057 3.173 ( 2.106 -1.796 1.107) 2.981 3.227 ( -3.205 2.873 0.141) 4.307 3.376 ( 0.305 0.359 -1.412) 1.489 3.406 ( -0.228 0.108 -1.916) 1.933 3.643 ( 0.536 -1.281 0.170) 1.399 3.874 ( -0.633 0.981 0.584) 1.306 4.399 ( 0.529 0.156 -0.290) 0.623 4.516 ( -1.029 -0.803 -0.702) 1.482 4.899 ( -0.622 -2.628 4.485) 5.235 5.248 ( 1.979 3.467 -2.835) 4.897 7.682 ( 0.139 0.081 -0.136) 0.211 7.870 ( -0.964 -0.301 -0.194) 1.028 8.190 ( 0.498 0.943 4.984) 5.097 8.465 ( 0.638 -2.025 -3.898) 4.438 9.025 ( -2.739 1.461 -0.559) 3.155 9.456 ( 0.642 0.178 0.664) 0.941 17.887 ( 0.474 1.502 -0.984) 1.857 18.005 ( -0.214 -1.148 -0.251) 1.195 18.364 ( -0.641 -2.330 0.672) 2.509 18.604 ( 1.484 1.333 -4.331) 4.768 19.520 ( -0.653 -0.021 1.697) 1.818 19.730 ( 0.076 -0.464 -0.440) 0.644 ======================= Grid point 204 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -1.819 7.262 3.108) 8.106 1.094 ( -6.974 -0.591 7.574) 10.313 1.318 ( -6.550 8.964 6.589) 12.910 1.439 ( 2.123 -1.524 -4.785) 5.452 1.543 ( 1.529 3.539 -1.015) 3.987 1.582 ( -8.729 3.279 -4.936) 10.550 1.898 ( 4.336 -4.082 -0.472) 5.974 1.957 ( 4.475 -4.566 0.216) 6.397 1.987 ( 1.303 -2.425 -2.387) 3.643 2.211 ( -4.381 1.538 2.120) 5.104 2.259 ( 5.123 -3.239 -0.552) 6.086 2.376 ( -9.235 8.366 8.370) 15.011 2.424 ( -0.319 -1.896 -1.345) 2.346 2.461 ( -2.353 -0.838 0.194) 2.505 2.549 ( 2.260 1.381 1.549) 3.068 2.650 ( -1.136 0.907 0.760) 1.640 2.754 ( -5.667 0.992 -2.532) 6.285 2.886 ( -2.409 -3.062 1.950) 4.357 2.944 ( 1.727 -1.639 -2.165) 3.218 3.037 ( 3.590 3.413 -4.093) 6.425 3.171 ( 1.784 1.081 -0.681) 2.194 3.279 ( 2.654 -3.376 1.895) 4.694 3.392 ( 3.445 0.063 -1.035) 3.597 3.436 ( -1.203 -6.329 0.184) 6.445 3.638 ( -1.153 0.696 -2.004) 2.415 3.904 ( 3.680 -0.556 2.418) 4.439 4.374 ( -0.476 3.127 -0.799) 3.263 4.526 ( -0.796 -2.643 0.038) 2.761 4.916 ( 0.451 0.648 0.666) 1.033 5.210 ( -0.020 4.888 -1.281) 5.053 7.679 ( -3.247 -3.131 -0.118) 4.512 7.878 ( 2.732 0.922 0.919) 3.026 8.183 ( -0.276 2.464 3.626) 4.393 8.480 ( 0.656 -1.004 -5.826) 5.948 9.056 ( 5.441 -2.258 5.664) 8.172 9.514 ( 3.711 -3.795 0.177) 5.311 17.845 ( -2.666 2.227 -0.055) 3.475 17.999 ( -2.855 -2.182 -1.093) 3.756 18.345 ( -3.338 0.309 -0.298) 3.365 18.542 ( -1.236 7.398 -4.780) 8.894 19.560 ( 2.500 -2.800 1.735) 4.135 19.746 ( 0.530 -2.058 -0.643) 2.221 ======================= Grid point 205 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.944 6.737 5.621) 9.620 1.008 ( -4.499 3.006 5.816) 7.944 1.129 ( -7.634 7.925 11.041) 15.588 1.361 ( -6.613 5.839 -5.817) 10.567 1.454 ( -5.339 -5.396 -6.427) 9.946 1.548 ( 5.899 5.664 -0.813) 8.218 1.967 ( -0.947 -1.658 -1.115) 2.210 1.984 ( -4.861 6.616 5.832) 10.070 2.061 ( -3.205 0.331 2.803) 4.271 2.130 ( 4.356 -5.263 0.450) 6.847 2.202 ( -3.862 3.698 -0.014) 5.347 2.335 ( 2.163 -0.546 -2.041) 3.024 2.389 ( -3.436 -0.342 -0.410) 3.477 2.481 ( -2.545 1.883 -3.545) 4.752 2.513 ( -1.326 -1.097 -0.470) 1.784 2.635 ( 1.327 -0.130 -0.131) 1.340 2.706 ( -0.590 -2.102 0.534) 2.248 2.892 ( -1.529 -1.673 0.320) 2.289 2.984 ( 0.845 -2.966 1.332) 3.360 3.052 ( 3.299 0.913 -2.193) 4.065 3.186 ( 1.274 1.288 -0.295) 1.836 3.377 ( 5.302 -2.348 0.949) 5.876 3.445 ( 0.900 -2.955 -2.550) 4.006 3.486 ( 0.255 -2.098 2.955) 3.633 3.595 ( -2.508 -0.186 -2.813) 3.773 3.990 ( 4.932 -0.639 3.282) 5.958 4.329 ( 0.027 3.254 -0.767) 3.343 4.536 ( -1.232 -1.643 0.106) 2.057 4.908 ( 0.288 1.160 -3.183) 3.400 5.121 ( -3.095 6.123 -0.843) 6.912 7.640 ( -5.265 -1.886 0.146) 5.594 7.939 ( 4.464 -0.329 1.044) 4.596 8.156 ( -0.385 2.175 3.961) 4.535 8.481 ( 0.646 -0.446 -6.600) 6.647 9.261 ( 12.217 -5.101 7.099) 15.023 9.648 ( 5.721 -5.916 1.826) 8.430 17.762 ( -4.210 2.454 0.078) 4.874 17.955 ( -6.449 -3.115 -2.125) 7.471 18.261 ( -3.850 3.443 -0.867) 5.237 18.388 ( -3.551 9.813 -3.805) 11.108 19.645 ( 3.329 -2.453 1.042) 4.265 19.795 ( 1.592 -3.708 -0.303) 4.046 ======================= Grid point 206 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -2.973 7.893 4.902) 9.755 0.899 ( -5.549 4.780 7.398) 10.410 0.970 ( -6.624 4.002 7.983) 11.119 1.252 ( 0.884 1.738 -4.582) 4.980 1.435 ( -4.794 -8.466 -2.644) 10.082 1.566 ( 3.476 4.020 -1.043) 5.416 1.728 ( -8.185 12.945 11.626) 19.228 1.979 ( -2.312 -1.053 0.853) 2.680 2.042 ( -0.671 0.697 -2.080) 2.294 2.120 ( -2.241 0.900 -2.549) 3.511 2.241 ( -0.860 -2.438 1.464) 2.971 2.333 ( -2.081 0.467 -0.597) 2.214 2.366 ( 0.921 -0.753 -3.897) 4.074 2.382 ( 0.208 1.402 -6.252) 6.410 2.517 ( -2.590 -1.760 1.090) 3.316 2.675 ( 0.826 -1.434 0.826) 1.850 2.768 ( 5.589 -1.409 -0.544) 5.789 2.890 ( -0.132 -1.018 0.367) 1.090 3.028 ( 0.691 -1.469 1.592) 2.274 3.104 ( 1.839 -1.527 0.049) 2.391 3.188 ( 1.675 1.486 0.647) 2.331 3.386 ( -7.035 -3.040 -0.365) 7.672 3.468 ( -0.946 0.675 0.939) 1.494 3.561 ( 1.624 -1.353 -0.877) 2.289 3.580 ( 5.828 0.115 -1.175) 5.946 4.082 ( 5.048 -0.434 3.218) 6.002 4.299 ( 0.622 2.774 -0.449) 2.878 4.531 ( -0.830 -0.716 -0.294) 1.134 4.855 ( -7.120 -0.837 -4.374) 8.397 5.000 ( -0.832 5.926 -0.432) 6.000 7.578 ( -3.700 -0.196 0.844) 3.800 7.997 ( 2.451 0.509 -0.598) 2.573 8.159 ( 0.428 -0.210 6.853) 6.869 8.476 ( 0.382 -0.299 -7.462) 7.477 9.519 ( 9.704 -4.141 1.502) 10.657 9.832 ( 7.840 -5.751 4.225) 10.602 17.672 ( -3.640 1.774 -0.495) 4.079 17.850 ( -8.888 -1.189 -1.963) 9.180 18.175 ( 0.624 5.253 -1.597) 5.526 18.226 ( -4.658 4.977 0.354) 6.826 19.714 ( 2.575 -1.096 0.278) 2.813 19.864 ( 1.479 -3.138 -0.125) 3.471 ======================= Grid point 208 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.145 0.000 2.273) 3.880 1.050 ( 7.474 0.000 4.259) 8.603 1.101 ( 10.904 0.000 8.449) 13.794 1.281 ( 3.513 0.000 -11.850) 12.359 1.474 ( -4.602 -0.000 -1.528) 4.849 1.622 ( 7.373 0.000 -4.768) 8.780 1.804 ( 6.564 0.000 12.262) 13.908 1.967 ( 1.276 0.000 6.559) 6.682 2.019 ( 0.097 0.000 2.549) 2.551 2.089 ( 3.549 0.000 -0.210) 3.556 2.219 ( 0.412 0.000 5.926) 5.940 2.263 ( -6.882 -0.000 0.449) 6.896 2.338 ( 5.078 0.000 -3.498) 6.166 2.485 ( 1.725 0.000 -5.231) 5.508 2.556 ( 0.165 0.000 0.981) 0.995 2.633 ( -4.957 -0.000 1.092) 5.076 2.764 ( 2.190 0.000 -5.011) 5.468 2.911 ( 2.063 0.000 0.250) 2.078 2.986 ( -4.175 -0.000 1.468) 4.425 3.152 ( 0.566 0.000 -0.515) 0.765 3.167 ( -1.965 -0.000 -3.788) 4.267 3.391 ( -9.551 -0.000 -0.302) 9.555 3.440 ( -0.018 -0.000 3.443) 3.443 3.491 ( 3.161 0.000 1.263) 3.404 3.597 ( 1.765 0.000 0.408) 1.811 4.055 ( -5.772 -0.000 -3.498) 6.749 4.286 ( 0.630 0.000 0.375) 0.733 4.567 ( 2.255 0.000 -1.413) 2.661 4.760 ( -3.513 -0.000 6.369) 7.273 5.097 ( 9.878 0.000 -2.498) 10.189 7.656 ( 5.829 0.000 0.943) 5.905 7.935 ( -3.988 -0.000 0.394) 4.007 8.194 ( -1.816 -0.000 3.173) 3.656 8.403 ( -1.110 -0.000 -2.646) 2.869 9.414 ( -10.872 -0.000 -3.629) 11.462 9.770 ( -10.755 -0.000 -0.647) 10.775 17.797 ( 9.067 0.000 -5.194) 10.449 17.943 ( 7.788 0.000 3.529) 8.550 18.090 ( -0.534 -0.000 1.869) 1.944 18.332 ( 7.351 0.000 -2.211) 7.676 19.689 ( -3.461 -0.000 -1.371) 3.723 19.826 ( -3.660 -0.000 1.570) 3.982 ======================= Grid point 209 (103/129) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 3.470 -5.983 0.227) 6.920 1.172 ( 7.875 1.039 2.444) 8.311 1.301 ( 6.566 -3.991 3.816) 8.580 1.362 ( 6.786 -4.370 -7.646) 11.118 1.408 ( -2.534 -1.479 -0.518) 2.979 1.675 ( 9.073 8.884 -2.523) 12.947 1.887 ( -1.054 3.891 8.480) 9.389 2.010 ( 2.478 -1.396 0.882) 2.978 2.049 ( -5.809 3.963 3.588) 7.895 2.075 ( 0.305 -5.136 6.834) 8.554 2.183 ( -3.691 -3.375 2.797) 5.730 2.313 ( 4.160 -2.625 3.440) 6.002 2.438 ( -3.545 -0.193 1.203) 3.749 2.451 ( 8.771 -3.080 -7.299) 11.819 2.526 ( -2.473 1.195 0.757) 2.849 2.642 ( 2.811 -1.037 -0.498) 3.037 2.763 ( -0.507 0.117 -4.326) 4.357 2.920 ( -2.570 0.561 1.321) 2.944 2.934 ( -1.501 0.100 0.699) 1.659 3.089 ( -1.423 4.868 -4.827) 7.002 3.130 ( -3.322 -0.352 0.568) 3.388 3.322 ( -0.039 -2.038 -2.604) 3.306 3.446 ( -0.026 2.678 2.003) 3.344 3.524 ( -0.185 -2.104 2.320) 3.137 3.590 ( -0.264 3.428 1.029) 3.589 3.952 ( -6.156 -0.177 -3.090) 6.890 4.313 ( 1.645 -1.243 0.922) 2.258 4.589 ( 1.872 2.232 -1.311) 3.194 4.731 ( -4.273 -4.650 5.641) 8.468 5.243 ( 9.129 0.333 -4.264) 10.081 7.745 ( 5.572 2.309 1.689) 6.264 7.874 ( -3.707 -0.526 0.141) 3.746 8.168 ( -1.876 -0.497 1.202) 2.283 8.391 ( -0.958 -1.384 -0.050) 1.684 9.219 ( -10.401 1.527 -5.298) 11.772 9.598 ( -8.277 2.655 0.850) 8.733 17.902 ( 7.116 1.841 -6.080) 9.539 18.019 ( 3.298 3.315 3.587) 5.894 18.155 ( 1.401 -7.301 2.871) 7.969 18.465 ( 8.436 -2.204 -3.012) 9.225 19.617 ( -4.644 1.011 -0.277) 4.761 19.767 ( -2.998 1.001 1.446) 3.476 ======================= Grid point 210 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.370 -5.004 -0.030) 5.537 1.273 ( 3.514 -2.288 -2.453) 4.858 1.324 ( -2.458 2.533 -0.137) 3.533 1.440 ( 5.136 -5.278 -3.467) 8.140 1.579 ( 7.158 -3.206 3.843) 8.734 1.709 ( 9.178 9.408 0.508) 13.153 1.804 ( -3.331 3.121 6.126) 7.640 1.906 ( -3.307 4.466 1.227) 5.691 2.037 ( 1.449 1.996 -1.647) 2.966 2.134 ( -5.116 -4.761 2.201) 7.327 2.202 ( -1.318 -2.772 3.114) 4.372 2.323 ( -2.362 -2.509 3.977) 5.262 2.458 ( -1.784 -2.469 4.498) 5.432 2.477 ( -0.628 -0.728 2.282) 2.476 2.581 ( 3.057 0.077 -5.475) 6.271 2.722 ( 1.756 -1.732 -4.367) 5.016 2.759 ( 2.040 -4.688 1.410) 5.304 2.864 ( -3.778 0.923 1.575) 4.196 2.898 ( -2.164 -0.487 -0.068) 2.219 3.008 ( -0.721 3.081 -3.470) 4.697 3.132 ( 2.516 -0.903 0.038) 2.674 3.344 ( -2.986 1.773 0.660) 3.534 3.365 ( 0.285 3.985 -3.511) 5.318 3.508 ( -1.840 4.229 -1.650) 4.898 3.592 ( 1.717 -2.529 3.961) 5.003 3.867 ( -4.302 -1.295 -1.978) 4.909 4.366 ( 2.321 -1.856 0.971) 3.127 4.558 ( -0.972 3.285 0.329) 3.441 4.773 ( -0.953 -6.505 4.388) 7.904 5.336 ( 6.760 2.998 -5.678) 9.323 7.732 ( -2.395 3.237 0.858) 4.117 7.877 ( 3.599 1.157 0.212) 3.786 8.169 ( -0.728 -2.446 2.015) 3.252 8.403 ( -0.619 -2.702 -0.011) 2.772 9.060 ( -5.727 1.340 -3.192) 6.692 9.476 ( -4.447 1.247 0.521) 4.648 17.942 ( 3.583 3.090 -4.570) 6.578 18.022 ( 0.449 2.414 2.563) 3.549 18.255 ( -0.465 -6.466 2.819) 7.069 18.606 ( 7.726 -1.036 -4.031) 8.776 19.534 ( -4.099 0.914 1.243) 4.380 19.726 ( -1.794 0.118 0.663) 1.916 ======================= Grid point 211 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -1.391 0.368 3.457) 3.744 1.238 ( -4.268 0.988 -1.553) 4.649 1.338 ( 2.423 -0.491 -3.959) 4.667 1.502 ( -0.474 4.208 4.056) 5.864 1.621 ( 0.306 1.021 -0.683) 1.266 1.720 ( 4.974 8.691 2.229) 10.259 1.852 ( 1.827 -0.114 3.483) 3.934 1.882 ( 5.932 -1.783 0.904) 6.259 1.985 ( -1.613 2.816 -3.126) 4.506 2.137 ( -3.197 -5.929 -0.980) 6.807 2.201 ( 0.932 -2.518 0.143) 2.688 2.371 ( -0.175 -2.565 4.697) 5.355 2.413 ( -5.312 -3.243 2.579) 6.737 2.505 ( -3.047 -0.548 3.411) 4.606 2.560 ( 0.040 2.091 -0.075) 2.092 2.691 ( -2.965 2.002 1.062) 3.732 2.785 ( -6.085 -2.167 -1.583) 6.651 2.807 ( -3.193 0.836 0.189) 3.306 2.921 ( 3.649 -1.047 -1.352) 4.030 3.044 ( 4.977 -3.977 -3.828) 7.432 3.183 ( -3.381 -0.484 2.214) 4.070 3.227 ( 2.125 2.926 -1.322) 3.850 3.355 ( -1.348 -0.041 -3.802) 4.035 3.445 ( 1.156 3.232 0.031) 3.432 3.645 ( 0.594 -0.747 0.754) 1.216 3.855 ( -0.076 -3.478 0.006) 3.479 4.420 ( 1.960 -0.570 -0.047) 2.042 4.506 ( -1.389 2.068 1.978) 3.181 4.846 ( -0.169 -5.024 2.516) 5.621 5.358 ( 4.925 6.284 -5.118) 9.483 7.660 ( -3.135 1.254 0.256) 3.386 7.917 ( 3.917 2.553 0.931) 4.767 8.195 ( -0.171 -1.583 1.798) 2.402 8.428 ( -0.329 -3.084 -1.602) 3.491 9.015 ( 0.820 -1.157 2.232) 2.644 9.440 ( -0.936 -2.357 -0.803) 2.660 17.921 ( 0.381 4.094 -3.166) 5.189 17.992 ( -1.996 1.583 1.725) 3.076 18.297 ( -2.769 -4.074 2.580) 5.561 18.683 ( 5.138 3.934 -5.135) 8.261 19.500 ( -0.989 -1.939 2.075) 3.008 19.709 ( -1.322 -1.126 -0.017) 1.736 ======================= Grid point 212 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -4.232 2.466 6.932) 8.488 1.147 ( -2.331 5.670 2.999) 6.825 1.344 ( -3.954 -0.498 -0.026) 3.986 1.416 ( 2.109 9.595 -1.495) 9.937 1.515 ( -6.091 6.853 -2.859) 9.604 1.710 ( 4.804 7.618 0.966) 9.058 1.912 ( 2.924 -2.056 -0.482) 3.607 1.990 ( 2.911 -2.406 -1.788) 4.179 2.011 ( 6.605 -2.237 0.999) 7.044 2.109 ( -5.923 -2.689 0.238) 6.509 2.274 ( -2.781 -2.808 3.147) 5.052 2.330 ( -3.074 3.092 7.976) 9.090 2.410 ( -2.559 1.313 -2.563) 3.853 2.437 ( 0.338 -0.943 0.582) 1.158 2.564 ( -1.300 -1.703 1.581) 2.662 2.628 ( -3.471 -0.729 -1.217) 3.750 2.649 ( -6.485 2.224 -2.642) 7.348 2.803 ( -1.380 -4.403 2.112) 5.075 2.983 ( 3.542 1.354 -2.218) 4.393 3.073 ( -0.689 0.732 -2.241) 2.456 3.179 ( 0.761 -3.753 0.455) 3.856 3.283 ( -0.071 -2.583 -3.649) 4.471 3.335 ( 0.340 -3.396 1.481) 3.720 3.480 ( 5.010 0.297 -0.455) 5.039 3.628 ( -1.603 1.488 -0.499) 2.243 3.930 ( 2.469 -4.573 1.722) 5.475 4.423 ( 1.690 3.710 -0.416) 4.098 4.497 ( -0.463 -1.084 2.570) 2.827 4.877 ( -2.241 -2.793 -1.408) 3.848 5.320 ( 2.963 9.292 -3.195) 10.263 7.610 ( -2.832 -0.190 0.508) 2.883 7.953 ( 3.687 1.548 2.013) 4.477 8.195 ( -0.750 0.858 0.053) 1.140 8.450 ( -0.167 -2.310 -2.820) 3.649 9.130 ( 7.058 -5.638 6.788) 11.299 9.494 ( 1.503 -6.583 -1.337) 6.883 17.849 ( -1.767 4.931 -2.399) 5.761 17.932 ( -4.289 0.977 1.167) 4.551 18.280 ( -3.800 -1.109 2.533) 4.699 18.641 ( 1.842 10.060 -6.087) 11.901 19.558 ( 2.163 -4.850 2.091) 5.707 19.713 ( -0.773 -2.756 -0.394) 2.889 ======================= Grid point 213 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.756 3.344 9.212) 9.956 1.069 ( -1.069 5.858 7.152) 9.306 1.190 ( -5.308 10.813 2.884) 12.386 1.316 ( -3.696 7.665 -5.115) 9.929 1.392 ( 1.303 3.517 -6.677) 7.659 1.693 ( 2.794 5.936 -0.118) 6.562 1.960 ( -0.796 -0.129 0.520) 0.960 1.982 ( -4.559 6.457 6.073) 9.968 2.051 ( 1.529 -0.573 -1.284) 2.078 2.143 ( 1.027 -0.990 3.700) 3.966 2.177 ( -2.141 0.179 3.420) 4.039 2.328 ( -1.880 -0.170 -1.073) 2.171 2.362 ( 0.802 -0.232 -1.800) 1.984 2.425 ( -4.581 0.609 -1.999) 5.035 2.487 ( -1.191 2.117 -3.553) 4.304 2.618 ( -1.384 -3.938 0.884) 4.267 2.672 ( 2.415 -5.870 -0.639) 6.380 2.847 ( -0.379 -3.506 2.308) 4.215 2.994 ( 1.081 -0.226 -0.200) 1.122 3.086 ( 2.395 -0.299 -1.167) 2.681 3.206 ( -0.398 0.296 -1.103) 1.210 3.267 ( -5.664 -7.004 -1.519) 9.135 3.427 ( 2.922 -3.044 1.413) 4.450 3.544 ( -0.431 -0.965 -2.592) 2.800 3.601 ( 4.060 1.668 1.457) 4.625 4.026 ( 2.243 -4.566 2.332) 5.596 4.415 ( 4.544 5.964 0.647) 7.526 4.506 ( -0.845 -1.176 1.189) 1.874 4.823 ( -6.871 -1.538 -4.748) 8.492 5.221 ( 0.792 11.580 -1.445) 11.697 7.574 ( -2.166 0.036 0.859) 2.330 8.010 ( 3.706 0.270 2.708) 4.598 8.162 ( -1.556 0.947 0.137) 1.826 8.460 ( -0.045 -1.168 -3.835) 4.009 9.362 ( 8.255 -8.552 5.141) 12.950 9.624 ( 2.594 -10.682 0.526) 11.005 17.750 ( -2.764 4.808 -1.508) 5.747 17.849 ( -4.348 1.541 0.658) 4.660 18.232 ( -2.568 1.203 2.139) 3.552 18.495 ( -0.142 13.990 -5.743) 15.123 19.662 ( 3.045 -3.972 1.327) 5.178 19.749 ( -0.518 -5.445 -0.330) 5.479 ======================= Grid point 214 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 3.556 7.851 8.581) 12.162 0.965 ( -4.096 7.686 8.123) 11.909 1.012 ( -0.477 13.269 1.358) 13.347 1.261 ( 1.795 -5.608 -3.099) 6.654 1.345 ( 0.802 4.401 -7.653) 8.864 1.650 ( 0.048 5.550 -0.637) 5.587 1.827 ( -0.824 10.511 10.250) 14.705 1.962 ( -1.761 2.081 2.666) 3.813 2.033 ( -1.548 1.008 0.296) 1.871 2.097 ( -1.287 1.617 1.451) 2.526 2.217 ( -0.288 -0.256 3.758) 3.777 2.291 ( -1.604 -1.145 -6.945) 7.219 2.356 ( 2.462 0.470 -4.155) 4.853 2.434 ( 1.638 1.241 -2.250) 3.047 2.452 ( -0.982 -3.294 0.400) 3.460 2.666 ( 1.509 -3.372 -0.808) 3.782 2.759 ( -0.506 -5.284 0.204) 5.312 2.881 ( -0.157 -2.343 1.215) 2.644 3.027 ( 0.743 -1.664 0.633) 1.929 3.110 ( -2.210 -0.564 2.026) 3.051 3.187 ( 0.423 -1.734 -1.255) 2.181 3.279 ( 0.007 -3.608 -0.672) 3.670 3.466 ( -0.259 0.385 1.524) 1.593 3.526 ( -0.495 -1.511 -1.060) 1.911 3.659 ( 0.730 -0.076 -0.441) 0.857 4.110 ( 1.051 -4.282 1.259) 4.585 4.399 ( 2.121 8.746 -1.080) 9.064 4.515 ( 0.564 -1.160 -0.398) 1.350 4.717 ( -4.635 -1.532 -0.257) 4.888 5.095 ( -0.014 9.906 -0.713) 9.932 7.555 ( 0.070 0.338 0.872) 0.938 8.039 ( 0.635 2.566 -0.078) 2.645 8.156 ( -0.627 -2.638 4.387) 5.157 8.454 ( -0.285 -0.251 -4.882) 4.897 9.536 ( 0.964 -6.503 0.085) 6.575 9.807 ( 1.101 -12.885 1.469) 13.015 17.667 ( -0.487 3.440 -0.177) 3.479 17.789 ( 0.212 2.243 0.063) 2.254 18.192 ( -0.926 2.217 1.987) 3.118 18.322 ( 1.035 13.045 -4.144) 13.726 19.725 ( 0.843 -1.621 -0.399) 1.870 19.815 ( -0.574 -6.366 0.517) 6.413 ======================= Grid point 217 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 5.095 0.000 -1.619) 5.346 1.230 ( -1.106 -0.000 -4.246) 4.387 1.369 ( 6.208 0.000 -5.029) 7.989 1.404 ( 4.756 0.000 2.933) 5.588 1.495 ( 10.450 0.000 4.367) 11.325 1.861 ( 7.321 0.000 -2.261) 7.662 1.902 ( -5.477 -0.000 7.042) 8.921 1.994 ( -4.043 -0.000 2.539) 4.774 2.009 ( -4.967 -0.000 1.190) 5.107 2.071 ( 2.366 0.000 3.123) 3.918 2.114 ( 2.011 0.000 6.230) 6.547 2.295 ( -5.303 -0.000 4.171) 6.747 2.437 ( 1.825 0.000 4.896) 5.225 2.462 ( -6.723 -0.000 1.492) 6.887 2.574 ( 8.046 0.000 -9.474) 12.429 2.671 ( 3.253 0.000 0.234) 3.262 2.707 ( -4.122 -0.000 -3.994) 5.740 2.887 ( -3.128 -0.000 -0.492) 3.166 2.893 ( -1.495 -0.000 2.160) 2.627 3.065 ( -3.212 -0.000 -5.020) 5.960 3.125 ( 2.489 0.000 -0.548) 2.549 3.340 ( 2.045 0.000 -1.754) 2.694 3.468 ( -3.740 -0.000 2.882) 4.721 3.498 ( 2.211 0.000 -2.482) 3.324 3.594 ( -2.169 -0.000 4.131) 4.666 3.844 ( -5.887 -0.000 -3.406) 6.802 4.343 ( 2.424 0.000 2.065) 3.184 4.632 ( -5.211 -0.000 5.516) 7.589 4.659 ( 4.635 0.000 -2.201) 5.131 5.369 ( 8.101 0.000 -5.914) 10.030 7.775 ( -4.404 -0.000 2.504) 5.067 7.907 ( 7.693 0.000 0.749) 7.730 8.123 ( -2.712 -0.000 -1.101) 2.927 8.368 ( -1.133 -0.000 1.613) 1.971 9.077 ( -6.779 -0.000 -4.001) 7.871 9.494 ( -6.725 -0.000 0.599) 6.752 17.994 ( 4.952 0.000 -7.168) 8.712 18.107 ( 0.241 0.000 5.234) 5.239 18.109 ( 0.781 0.000 2.509) 2.628 18.587 ( 9.298 0.000 -2.930) 9.748 19.547 ( -5.021 -0.000 0.748) 5.076 19.729 ( -2.741 -0.000 1.261) 3.017 ======================= Grid point 218 (110/129) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 4.512 -3.090 -2.905) 6.192 1.183 ( -3.146 -0.326 -4.712) 5.675 1.440 ( 4.358 3.423 -1.786) 5.823 1.499 ( 6.869 -0.353 1.041) 6.957 1.661 ( 4.003 -0.636 4.979) 6.420 1.802 ( -0.830 1.962 4.098) 4.619 1.892 ( -2.776 0.368 6.558) 7.131 1.924 ( -0.036 2.828 -0.121) 2.831 2.007 ( 1.007 -2.008 -2.712) 3.521 2.087 ( 0.152 3.793 -0.144) 3.798 2.171 ( -0.478 0.636 3.253) 3.349 2.275 ( 0.682 -5.491 5.813) 8.025 2.349 ( -7.636 -1.050 3.147) 8.326 2.456 ( -3.545 -2.431 3.573) 5.590 2.589 ( -1.874 0.301 -4.282) 4.684 2.654 ( -3.814 -3.701 -1.649) 5.564 2.735 ( 1.410 -0.473 -2.236) 2.686 2.878 ( 0.721 0.673 0.443) 1.081 2.900 ( 3.409 1.906 -0.124) 3.908 2.999 ( -0.827 -0.328 -3.195) 3.317 3.162 ( 0.108 -0.608 -0.680) 0.919 3.310 ( -2.831 1.736 1.337) 3.580 3.415 ( 0.313 4.679 -4.237) 6.320 3.494 ( -2.159 0.116 -1.888) 2.870 3.608 ( 1.579 -1.677 4.829) 5.350 3.770 ( -3.950 -2.899 -2.927) 5.707 4.393 ( 2.315 -0.857 2.436) 3.468 4.561 ( -3.489 1.531 4.009) 5.530 4.751 ( 4.666 -2.384 -1.327) 5.405 5.457 ( 6.543 2.139 -5.993) 9.127 7.702 ( -4.113 1.448 1.736) 4.693 7.998 ( 5.266 4.454 0.443) 6.911 8.119 ( 0.324 -4.556 -0.244) 4.575 8.366 ( -0.953 -1.765 1.603) 2.568 9.001 ( -2.013 -0.198 -0.545) 2.095 9.408 ( -4.392 -0.593 -0.624) 4.475 18.013 ( 2.307 3.172 -6.167) 7.308 18.057 ( -1.879 3.729 4.470) 6.117 18.180 ( -0.847 -5.580 3.153) 6.465 18.720 ( 8.314 0.086 -3.504) 9.022 19.479 ( -3.716 -0.202 1.418) 3.982 19.694 ( -2.276 -0.286 0.726) 2.406 ======================= Grid point 219 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -1.703 4.203 0.058) 4.535 1.142 ( 1.151 -5.072 -5.589) 7.634 1.405 ( -0.225 6.818 2.964) 7.437 1.583 ( 2.774 2.484 0.500) 3.757 1.651 ( 0.020 4.287 1.950) 4.710 1.816 ( -1.226 0.067 5.852) 5.980 1.892 ( 2.627 0.450 1.369) 2.996 1.952 ( 1.460 -2.749 0.210) 3.120 2.004 ( -1.288 1.948 -1.510) 2.781 2.047 ( 3.701 0.653 -2.172) 4.341 2.193 ( -1.556 -1.917 3.923) 4.635 2.306 ( -0.584 -4.247 2.785) 5.112 2.359 ( 0.335 -2.770 3.171) 4.224 2.412 ( -5.853 -3.117 1.609) 6.824 2.534 ( -3.552 -0.874 -3.156) 4.831 2.646 ( -4.954 -4.081 -1.005) 6.496 2.688 ( -1.475 4.808 0.737) 5.083 2.811 ( -2.939 5.721 1.065) 6.520 2.963 ( 3.908 -4.384 -1.811) 6.146 3.070 ( 3.100 0.110 -4.192) 5.214 3.101 ( -4.901 -1.642 4.291) 6.718 3.306 ( 3.662 2.669 -2.862) 5.359 3.327 ( -2.742 2.920 -2.769) 4.869 3.481 ( 0.919 -0.438 -0.044) 1.019 3.635 ( -1.398 -0.532 0.888) 1.740 3.794 ( 0.204 -6.762 -0.899) 6.824 4.439 ( 1.349 -0.856 1.659) 2.303 4.517 ( -1.381 1.026 4.165) 4.506 4.829 ( 2.849 -0.805 -2.382) 3.800 5.490 ( 4.576 5.014 -4.161) 7.962 7.633 ( -2.592 1.750 1.101) 3.316 8.000 ( 1.033 2.182 0.875) 2.568 8.190 ( 3.046 -0.988 -0.997) 3.354 8.386 ( -0.366 -2.869 0.964) 3.048 9.026 ( 2.371 -3.194 4.007) 5.646 9.375 ( -2.166 -3.513 -2.311) 4.730 17.965 ( -1.168 4.646 -2.588) 5.445 17.991 ( -1.923 3.676 1.575) 4.437 18.221 ( -1.754 -3.693 3.294) 5.250 18.801 ( 5.418 3.641 -4.494) 7.925 19.460 ( -1.106 -2.959 1.640) 3.559 19.672 ( -1.479 -1.020 0.189) 1.806 ======================= Grid point 220 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -2.564 3.146 2.335) 4.682 1.187 ( 2.107 0.761 -3.646) 4.279 1.329 ( -1.636 6.849 6.329) 9.468 1.503 ( -3.182 6.104 -2.228) 7.235 1.586 ( 1.719 9.912 -0.335) 10.066 1.821 ( 0.680 3.133 4.418) 5.458 1.924 ( 0.568 -0.577 -1.423) 1.637 2.007 ( 3.720 -3.085 -1.125) 4.962 2.032 ( 1.276 -2.734 0.284) 3.031 2.089 ( 1.647 -0.533 0.367) 1.770 2.175 ( -3.994 -1.857 6.254) 7.650 2.324 ( -4.430 -1.801 -2.185) 5.258 2.373 ( -0.255 0.728 5.739) 5.791 2.438 ( 1.502 -4.346 -0.440) 4.619 2.489 ( -2.898 -1.596 -1.682) 3.712 2.570 ( -1.849 1.117 -1.346) 2.545 2.599 ( -4.168 3.223 -2.354) 5.771 2.785 ( 1.843 -0.883 3.749) 4.270 2.983 ( -4.848 -0.666 2.320) 5.416 3.077 ( 2.598 -4.999 -5.436) 7.829 3.135 ( 0.752 0.761 0.878) 1.384 3.230 ( -2.835 2.127 -2.609) 4.401 3.376 ( 4.983 -1.445 -0.661) 5.230 3.513 ( 0.245 -1.479 -1.119) 1.871 3.614 ( -1.000 -0.802 0.766) 1.493 3.887 ( 0.783 -7.192 0.349) 7.243 4.463 ( 0.596 -0.766 0.540) 1.110 4.523 ( 1.765 0.805 5.253) 5.599 4.824 ( -1.648 2.218 -5.319) 5.995 5.458 ( 1.812 8.131 -1.516) 8.467 7.589 ( -1.196 1.358 0.806) 1.981 8.005 ( 0.700 -0.497 2.456) 2.602 8.207 ( 0.909 2.608 -3.103) 4.154 8.420 ( 0.389 -2.326 0.077) 2.359 9.167 ( 5.207 -7.870 6.957) 11.724 9.406 ( -1.285 -7.513 -3.391) 8.343 17.869 ( -3.260 4.954 0.576) 5.959 17.923 ( -0.496 4.792 -1.117) 4.946 18.231 ( -1.460 -1.320 2.983) 3.574 18.771 ( 1.967 9.137 -5.222) 10.706 19.521 ( 0.912 -6.727 1.535) 6.960 19.673 ( -0.547 -1.728 -0.280) 1.834 ======================= Grid point 221 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.861 -0.120 5.811) 5.876 1.170 ( -2.576 3.154 -4.164) 5.825 1.213 ( 3.244 12.147 4.965) 13.517 1.391 ( -3.159 7.888 1.802) 8.686 1.490 ( 2.789 9.411 -6.099) 11.556 1.782 ( 0.345 6.543 1.887) 6.818 1.924 ( -0.999 -1.460 0.460) 1.828 2.037 ( -2.044 1.648 0.832) 2.754 2.048 ( -0.052 1.346 3.351) 3.611 2.134 ( -2.044 -2.334 4.018) 5.077 2.182 ( 3.313 -0.907 2.801) 4.432 2.281 ( -3.167 -1.275 -2.032) 3.973 2.377 ( 2.405 0.100 2.939) 3.799 2.405 ( -0.480 3.927 -0.514) 3.990 2.500 ( -0.754 2.973 -5.088) 5.941 2.549 ( 1.914 -6.133 -2.450) 6.876 2.613 ( -0.780 -6.418 1.070) 6.553 2.836 ( 1.471 -0.928 1.469) 2.276 2.962 ( -1.721 -3.626 3.574) 5.375 3.091 ( -5.945 -1.866 0.451) 6.247 3.157 ( 5.145 -0.140 -4.280) 6.694 3.199 ( -0.235 -1.746 -0.937) 1.995 3.459 ( 2.745 -1.015 0.383) 2.951 3.493 ( -2.920 -1.358 -1.513) 3.558 3.641 ( 0.677 -1.679 0.359) 1.846 3.978 ( 0.235 -6.983 0.860) 7.039 4.479 ( -0.627 -1.360 0.777) 1.687 4.585 ( 6.981 2.841 4.942) 9.013 4.702 ( -6.351 3.607 -7.104) 10.189 5.352 ( -1.075 10.732 0.285) 10.790 7.569 ( 0.145 0.977 0.581) 1.146 8.050 ( 1.382 -2.856 3.992) 5.099 8.152 ( -1.805 3.817 -3.388) 5.413 8.444 ( 0.510 -0.838 -1.406) 1.714 9.360 ( 3.266 -8.431 4.146) 9.947 9.486 ( -2.172 -12.982 -1.571) 13.256 17.771 ( -1.516 5.231 1.409) 5.625 17.870 ( 1.465 4.707 -1.578) 5.176 18.229 ( 0.072 0.649 2.189) 2.284 18.643 ( 0.312 13.001 -5.100) 13.969 19.629 ( 0.342 -8.643 1.284) 8.744 19.688 ( -0.009 -1.782 -0.756) 1.936 ======================= Grid point 222 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.467 5.001 5.924) 7.767 1.093 ( 3.254 1.720 2.152) 4.264 1.179 ( 3.619 12.966 2.462) 13.684 1.265 ( 2.470 3.124 -0.573) 4.024 1.422 ( 2.331 6.905 -9.057) 11.625 1.698 ( -1.988 6.337 -0.312) 6.649 1.931 ( -5.244 1.572 2.118) 5.870 1.944 ( 0.613 2.303 6.582) 7.000 2.061 ( 2.959 1.167 1.367) 3.462 2.128 ( -1.521 0.535 5.115) 5.363 2.201 ( -1.227 1.473 3.745) 4.208 2.275 ( 1.613 0.429 1.110) 2.005 2.408 ( 4.539 1.749 -5.830) 7.593 2.431 ( 2.492 0.454 -2.974) 3.906 2.465 ( 1.463 -0.482 -1.209) 1.958 2.652 ( 1.832 -3.546 -1.593) 4.297 2.657 ( -1.727 -6.831 0.488) 7.062 2.865 ( 0.298 -1.305 0.781) 1.550 2.996 ( -1.702 -2.716 5.357) 6.243 3.030 ( -3.254 -2.488 -2.287) 4.691 3.191 ( -0.471 -0.383 0.404) 0.729 3.276 ( 5.179 -4.416 -1.165) 6.905 3.459 ( -2.130 -1.897 -1.849) 3.399 3.501 ( 0.279 -1.050 1.782) 2.087 3.625 ( -3.577 1.016 -1.032) 3.859 4.048 ( -1.432 -5.594 -0.006) 5.775 4.438 ( -4.533 4.474 -1.667) 6.583 4.544 ( 0.006 3.089 -3.148) 4.410 4.732 ( 6.925 -1.782 4.998) 8.724 5.203 ( -1.492 10.314 0.352) 10.427 7.579 ( 2.073 0.122 0.327) 2.102 8.057 ( -3.722 3.432 -2.255) 5.542 8.121 ( 0.991 -3.628 4.446) 5.823 8.445 ( 0.107 0.640 -2.226) 2.319 9.429 ( -4.578 -6.073 -2.280) 7.939 9.616 ( -3.732 -14.284 1.703) 14.862 17.732 ( 3.034 3.478 0.416) 4.634 17.863 ( 4.060 3.118 -0.809) 5.183 18.232 ( 1.667 2.529 1.975) 3.616 18.486 ( 1.453 12.995 -4.510) 13.832 19.685 ( -2.922 -4.142 -0.872) 5.144 19.735 ( 0.631 -5.074 0.883) 5.188 ======================= Grid point 226 (115/129) ======================= q-point: ( 0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 2.054 0.000 -4.946) 5.355 1.161 ( 0.381 0.000 -3.581) 3.601 1.525 ( 2.906 0.000 2.360) 3.744 1.581 ( 3.390 0.000 -1.681) 3.784 1.685 ( -0.736 -0.000 2.162) 2.284 1.796 ( -4.696 -0.000 8.315) 9.549 1.892 ( 6.352 0.000 3.890) 7.449 1.918 ( 0.098 0.000 3.265) 3.266 2.033 ( -0.566 -0.000 -4.943) 4.975 2.056 ( -5.563 -0.000 -0.456) 5.582 2.235 ( -0.780 -0.000 0.670) 1.028 2.267 ( 3.483 0.000 5.342) 6.377 2.280 ( 1.179 0.000 4.820) 4.962 2.375 ( -4.988 -0.000 1.877) 5.329 2.503 ( -6.389 -0.000 -2.592) 6.895 2.574 ( -2.403 -0.000 -0.630) 2.484 2.791 ( 4.200 0.000 -4.220) 5.954 2.863 ( -1.309 -0.000 0.714) 1.492 2.926 ( -4.075 -0.000 -2.039) 4.557 3.037 ( 4.533 0.000 3.010) 5.441 3.093 ( -3.758 -0.000 -2.380) 4.449 3.341 ( 3.708 0.000 0.523) 3.745 3.415 ( -4.271 -0.000 -3.461) 5.497 3.457 ( -0.721 -0.000 -0.676) 0.988 3.637 ( 2.208 0.000 2.216) 3.129 3.676 ( -4.095 -0.000 -3.146) 5.164 4.427 ( 1.685 0.000 3.223) 3.637 4.523 ( -3.062 -0.000 3.544) 4.683 4.827 ( 6.063 0.000 -2.750) 6.657 5.546 ( 4.856 0.000 -4.655) 6.727 7.660 ( -2.863 -0.000 1.898) 3.435 8.031 ( -2.564 -0.000 -1.117) 2.796 8.174 ( 8.005 0.000 1.002) 8.068 8.346 ( -0.704 -0.000 1.399) 1.567 8.989 ( 0.381 0.000 2.241) 2.273 9.336 ( -3.584 -0.000 -2.047) 4.128 18.038 ( -1.277 -0.000 -4.196) 4.386 18.047 ( -2.502 -0.000 3.792) 4.543 18.152 ( 0.901 0.000 2.726) 2.871 18.833 ( 6.721 0.000 -3.226) 7.455 19.429 ( -2.637 -0.000 1.070) 2.846 19.661 ( -1.646 -0.000 0.490) 1.718 ======================= Grid point 228 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.837 0.295 -4.032) 4.129 1.154 ( 0.826 -0.335 -1.785) 1.995 1.511 ( 2.133 7.078 3.590) 8.218 1.607 ( -1.970 0.853 1.121) 2.421 1.686 ( -0.163 0.231 1.026) 1.064 1.797 ( 1.673 -1.653 4.327) 4.925 1.941 ( 2.201 -0.764 1.239) 2.639 1.964 ( -0.744 0.729 -1.485) 1.814 2.001 ( -0.062 -1.577 2.815) 3.227 2.008 ( -1.577 -2.230 0.637) 2.805 2.236 ( 2.131 4.298 1.073) 4.916 2.284 ( -0.353 -2.071 0.868) 2.273 2.300 ( -4.646 -1.377 -1.339) 5.027 2.352 ( 0.792 -1.920 4.779) 5.210 2.445 ( -2.035 -3.135 -3.033) 4.813 2.573 ( 0.087 -1.658 0.718) 1.809 2.743 ( -1.417 8.000 -1.526) 8.266 2.833 ( -1.788 3.430 2.001) 4.355 2.918 ( -0.919 -6.063 -0.874) 6.194 2.983 ( -4.522 -1.675 0.124) 4.824 3.176 ( 6.887 0.852 -1.276) 7.055 3.314 ( -3.198 4.372 -1.908) 5.744 3.368 ( 0.041 0.685 0.067) 0.689 3.473 ( 1.739 -2.318 -0.461) 2.934 3.595 ( -3.515 0.544 -0.967) 3.686 3.719 ( 1.067 -6.518 -1.117) 6.698 4.454 ( 0.479 0.066 2.643) 2.687 4.504 ( -0.736 -1.242 2.740) 3.097 4.888 ( 3.429 2.092 -3.198) 5.134 5.577 ( 1.843 2.391 -1.964) 3.601 7.625 ( -1.213 1.234 1.366) 2.204 7.995 ( -1.713 -0.293 0.176) 1.747 8.268 ( 4.479 2.402 -1.130) 5.207 8.361 ( 0.711 -2.476 0.840) 2.709 9.032 ( 1.798 -3.315 4.972) 6.241 9.294 ( -2.513 -2.355 -3.343) 4.800 17.964 ( -3.916 2.882 4.302) 6.492 18.027 ( 1.066 3.092 -4.471) 5.540 18.184 ( 0.144 -2.041 2.768) 3.442 18.895 ( 3.422 2.079 -3.375) 5.237 19.412 ( -1.169 -2.316 0.827) 2.722 19.649 ( -0.351 -0.473 0.005) 0.589 ======================= Grid point 229 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.529 2.225 0.366) 2.724 1.181 ( -0.297 -2.036 -1.917) 2.812 1.478 ( 4.422 9.497 3.482) 11.040 1.513 ( -3.257 5.738 0.005) 6.598 1.675 ( 0.222 2.840 0.524) 2.897 1.853 ( 2.497 -0.355 -0.285) 2.538 1.932 ( -3.506 1.181 2.418) 4.420 1.994 ( -2.363 -3.246 0.952) 4.126 2.019 ( 2.423 -2.514 -0.349) 3.509 2.058 ( 2.529 -3.202 1.892) 4.497 2.202 ( -1.639 3.116 1.728) 3.921 2.239 ( 0.484 -0.277 -1.506) 1.606 2.352 ( -1.158 -7.445 -0.146) 7.536 2.384 ( 0.013 -1.433 4.041) 4.287 2.470 ( 1.457 -2.378 -3.276) 4.302 2.571 ( -0.982 2.937 0.498) 3.137 2.619 ( -0.247 6.913 -0.909) 6.977 2.834 ( 2.708 0.193 2.180) 3.481 2.902 ( -3.908 -1.421 4.927) 6.448 3.004 ( -0.266 -4.558 -3.514) 5.762 3.200 ( 0.417 3.399 -1.260) 3.648 3.232 ( -0.299 3.510 -1.621) 3.878 3.395 ( 0.699 -3.587 -1.078) 3.810 3.499 ( -0.093 1.518 -0.509) 1.604 3.575 ( -0.183 -3.930 0.467) 3.962 3.808 ( 0.357 -7.325 -0.976) 7.398 4.459 ( -0.388 -0.220 1.615) 1.675 4.545 ( 1.777 -3.013 2.229) 4.148 4.854 ( -0.544 6.107 -3.830) 7.229 5.535 ( -1.810 4.908 0.961) 5.319 7.602 ( 0.193 1.769 0.638) 1.891 7.991 ( -0.509 -1.795 1.648) 2.489 8.254 ( 0.013 4.454 -2.584) 5.150 8.410 ( 1.400 -2.190 -0.563) 2.659 9.150 ( 2.431 -8.505 6.130) 10.762 9.289 ( -2.332 -4.598 -3.957) 6.499 17.886 ( -2.023 4.332 4.079) 6.284 17.990 ( 2.038 5.186 -4.219) 6.989 18.215 ( 0.495 -1.665 2.039) 2.679 18.866 ( 0.015 6.015 -3.564) 6.991 19.453 ( -0.130 -5.751 0.940) 5.828 19.658 ( 0.580 -0.846 -0.686) 1.234 ======================= Grid point 230 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.151 -1.389 3.120) 4.036 1.155 ( -2.171 1.655 -1.653) 3.192 1.405 ( -2.321 6.073 -0.832) 6.555 1.450 ( 5.654 10.252 2.793) 12.037 1.613 ( 0.997 8.325 -2.800) 8.840 1.846 ( -2.956 5.090 3.349) 6.773 1.911 ( 1.655 -2.646 -0.314) 3.137 1.959 ( -4.824 -0.707 0.785) 4.938 2.049 ( -1.916 -3.365 -0.330) 3.887 2.086 ( -2.395 0.170 0.877) 2.556 2.232 ( 4.025 -1.955 3.351) 5.590 2.268 ( 2.604 0.796 1.084) 2.930 2.400 ( 0.842 -1.915 1.766) 2.738 2.456 ( 2.634 -6.187 1.529) 6.896 2.488 ( -2.425 -1.779 -2.223) 3.740 2.526 ( 4.660 4.299 -1.170) 6.447 2.607 ( 3.675 1.513 -1.496) 4.247 2.841 ( -0.957 -0.193 -1.031) 1.420 2.931 ( 0.760 -2.510 7.257) 7.716 3.007 ( -2.478 -0.511 -0.063) 2.531 3.175 ( -0.586 -0.171 -0.410) 0.735 3.224 ( 2.979 -0.152 -3.461) 4.569 3.392 ( -3.639 -2.138 -2.103) 4.715 3.500 ( 0.518 -0.090 0.099) 0.535 3.619 ( 0.411 -1.562 0.226) 1.631 3.892 ( -0.516 -7.538 -0.244) 7.559 4.455 ( -1.329 -0.487 1.283) 1.910 4.615 ( 0.298 -1.998 -2.907) 3.540 4.754 ( 1.624 6.088 0.561) 6.326 5.417 ( -4.501 7.275 2.599) 8.941 7.595 ( 1.306 1.446 0.107) 1.952 8.025 ( 0.005 -3.120 1.588) 3.501 8.169 ( -2.595 4.834 -0.785) 5.543 8.445 ( 1.196 -0.967 -2.026) 2.544 9.279 ( -5.496 -9.567 -4.342) 11.857 9.323 ( 2.413 -7.239 4.966) 9.104 17.830 ( 0.634 4.667 2.791) 5.475 17.960 ( 3.031 5.086 -2.996) 6.636 18.253 ( 2.113 -0.705 0.848) 2.383 18.753 ( -1.525 9.093 -3.465) 9.849 19.527 ( -0.951 -7.151 1.016) 7.285 19.681 ( 1.103 -1.182 -1.113) 1.963 ======================= Grid point 231 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.867 0.938 4.840) 5.006 1.148 ( 6.411 -2.929 -3.286) 7.777 1.274 ( -4.156 6.672 3.421) 8.573 1.450 ( 7.286 8.635 2.610) 11.596 1.530 ( 2.705 8.121 -7.891) 11.642 1.737 ( -3.407 7.627 -0.331) 8.360 1.850 ( -6.550 1.065 3.273) 7.400 1.944 ( -1.899 -2.965 2.373) 4.246 2.024 ( -4.742 -1.304 0.417) 4.935 2.122 ( 4.233 -3.440 -0.655) 5.494 2.278 ( 0.915 3.926 6.923) 8.011 2.306 ( 0.879 -1.917 2.012) 2.915 2.426 ( -0.985 -2.676 0.420) 2.882 2.498 ( 3.228 0.685 -3.686) 4.947 2.562 ( 7.343 3.846 -0.186) 8.292 2.589 ( 4.686 -2.035 0.369) 5.122 2.668 ( 3.769 -1.752 -2.474) 4.837 2.847 ( 0.676 -2.539 -0.772) 2.739 2.946 ( -3.106 -1.304 3.044) 4.540 2.985 ( -1.072 0.014 2.669) 2.877 3.168 ( -1.217 -0.679 1.444) 2.007 3.291 ( 1.711 -4.400 -2.586) 5.383 3.379 ( -0.376 -3.441 -3.065) 4.623 3.474 ( -3.827 0.490 0.013) 3.859 3.619 ( 0.396 2.116 0.439) 2.197 3.948 ( -2.549 -5.825 -0.359) 6.369 4.420 ( -2.253 2.280 -0.146) 3.209 4.554 ( -1.109 2.502 -3.396) 4.361 4.828 ( 4.998 -1.532 3.866) 6.502 5.270 ( -3.220 6.817 1.699) 7.729 7.615 ( 2.487 -0.048 -0.033) 2.488 8.002 ( -4.728 1.642 -2.833) 5.751 8.132 ( 0.882 -0.898 5.517) 5.659 8.456 ( 0.801 0.783 -2.378) 2.628 9.244 ( -7.928 -6.231 -5.462) 11.468 9.450 ( -0.700 -8.447 3.582) 9.202 17.821 ( 3.143 2.672 0.529) 4.159 17.956 ( 3.278 3.133 -1.292) 4.715 18.298 ( 3.320 0.971 0.695) 3.528 18.617 ( -0.415 9.250 -3.532) 9.910 19.574 ( -2.715 -5.383 0.646) 6.063 19.713 ( 0.974 -1.779 -0.579) 2.109 ======================= Grid point 236 (120/129) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.620 -0.000 -0.602) 2.688 1.144 ( 0.178 -0.000 -1.500) 1.511 1.582 ( -1.871 -0.000 2.414) 3.054 1.602 ( 1.908 -0.000 2.005) 2.767 1.699 ( 0.718 -0.000 0.579) 0.922 1.833 ( 4.385 -0.000 -1.840) 4.755 1.917 ( -1.282 -0.000 0.953) 1.597 1.934 ( -0.641 -0.000 -0.415) 0.764 2.002 ( 1.428 -0.000 1.786) 2.287 2.043 ( -1.116 -0.000 4.225) 4.370 2.222 ( -0.481 -0.000 -2.594) 2.638 2.247 ( -1.679 -0.000 0.519) 1.757 2.303 ( 0.122 0.000 0.953) 0.960 2.344 ( -0.588 -0.000 3.355) 3.406 2.429 ( 2.306 -0.000 -3.492) 4.185 2.585 ( 0.892 -0.000 1.239) 1.527 2.786 ( -3.174 -0.000 2.569) 4.083 2.828 ( -0.581 -0.000 -0.446) 0.733 2.843 ( 0.390 -0.000 -0.380) 0.544 2.947 ( 0.957 0.000 -0.670) 1.168 3.258 ( -0.467 -0.000 -1.409) 1.485 3.299 ( -2.425 0.000 2.329) 3.362 3.336 ( 1.215 -0.000 -0.461) 1.299 3.505 ( 2.967 -0.000 -0.576) 3.023 3.539 ( -3.273 -0.000 -1.545) 3.619 3.696 ( 1.544 -0.000 -2.202) 2.689 4.465 ( -0.446 -0.000 3.294) 3.324 4.498 ( 1.132 -0.000 0.064) 1.134 4.928 ( 0.379 -0.000 -2.803) 2.828 5.586 ( -2.145 -0.000 0.975) 2.356 7.628 ( 0.257 -0.000 0.958) 0.991 7.971 ( -0.991 -0.000 0.961) 1.381 8.338 ( 1.202 -0.000 -1.858) 2.213 8.352 ( 1.177 -0.000 -1.073) 1.592 9.044 ( 1.033 -0.000 4.738) 4.849 9.240 ( -1.456 -0.000 -2.760) 3.121 17.942 ( -2.373 -0.000 5.105) 5.629 18.064 ( 2.917 0.000 -5.356) 6.099 18.182 ( 0.087 -0.000 1.984) 1.986 18.927 ( -0.085 -0.000 -2.426) 2.427 19.388 ( -0.173 -0.000 0.588) 0.613 19.649 ( 0.694 -0.000 -0.735) 1.011 ======================= Grid point 238 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -2.187 -0.222 2.535) 3.355 1.148 ( -0.821 -0.865 -0.996) 1.554 1.528 ( -1.815 4.572 1.272) 5.081 1.627 ( 1.480 2.043 -0.732) 2.627 1.694 ( 0.603 0.255 0.238) 0.696 1.881 ( 1.869 1.373 -1.516) 2.771 1.906 ( 0.226 2.241 1.328) 2.615 1.948 ( -2.670 -0.059 1.065) 2.876 2.011 ( -0.479 -2.069 0.791) 2.266 2.035 ( 0.011 -3.436 -0.921) 3.557 2.224 ( 0.436 0.003 1.592) 1.651 2.283 ( 3.779 -1.740 0.403) 4.180 2.301 ( 2.232 1.117 0.311) 2.515 2.377 ( 1.646 -2.528 3.817) 4.865 2.446 ( -0.177 -1.035 -5.173) 5.278 2.589 ( 0.460 -0.185 -0.712) 0.868 2.701 ( -1.056 5.760 3.015) 6.586 2.857 ( -1.132 -2.635 3.684) 4.668 2.867 ( 2.335 0.099 -1.089) 2.579 2.990 ( 3.021 -0.654 0.330) 3.109 3.188 ( -4.395 -0.955 -2.667) 5.228 3.253 ( -0.783 4.014 3.976) 5.704 3.393 ( 1.651 0.877 -2.026) 2.757 3.476 ( -2.098 -1.871 -1.075) 3.010 3.576 ( 3.445 -1.154 0.914) 3.746 3.739 ( 0.606 -4.682 -2.824) 5.501 4.455 ( -1.276 0.459 2.549) 2.887 4.547 ( 3.076 -2.451 -1.401) 4.175 4.879 ( -2.935 3.269 -2.414) 5.013 5.520 ( -5.641 1.939 3.800) 7.072 7.636 ( 1.534 1.447 0.270) 2.125 7.975 ( 0.146 -1.177 2.135) 2.442 8.277 ( -3.287 4.235 -2.312) 5.838 8.397 ( 1.445 -2.937 -2.632) 4.200 9.085 ( -1.268 -4.879 0.886) 5.118 9.243 ( 1.501 -1.510 0.665) 2.230 17.918 ( -0.593 2.384 4.570) 5.189 18.077 ( 3.518 4.526 -4.883) 7.530 18.206 ( 0.898 -2.871 0.335) 3.026 18.880 ( -3.448 2.226 -1.889) 4.518 19.412 ( 0.991 -2.455 0.826) 2.774 19.664 ( 1.352 -0.326 -1.464) 2.019 ======================= Grid point 239 (122/129) ======================= q-point: (-0.25 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.456 -3.580 5.074) 6.227 1.133 ( -0.236 -0.336 -2.270) 2.307 1.431 ( -2.985 6.335 0.037) 7.003 1.589 ( -2.059 1.907 0.298) 2.822 1.695 ( 1.126 4.675 -2.433) 5.389 1.849 ( -1.192 3.853 4.977) 6.406 1.893 ( -1.338 -0.208 4.187) 4.401 1.917 ( -2.031 2.149 -3.016) 4.224 2.006 ( 1.715 -3.081 -2.343) 4.234 2.050 ( -1.632 0.905 -1.127) 2.179 2.257 ( -0.245 0.206 -1.395) 1.431 2.338 ( 1.600 -2.885 0.275) 3.310 2.357 ( 3.464 -0.690 0.647) 3.590 2.459 ( 3.180 -1.850 4.363) 5.707 2.472 ( 3.743 -3.841 -2.439) 5.892 2.626 ( 1.660 -0.740 1.288) 2.227 2.684 ( 4.743 -0.288 -0.226) 4.757 2.847 ( 0.909 3.368 -0.304) 3.502 2.904 ( -1.386 -2.895 2.345) 3.975 2.999 ( -2.017 0.989 2.911) 3.677 3.187 ( 1.825 -2.818 -4.333) 5.482 3.211 ( -0.744 3.375 4.534) 5.701 3.357 ( -0.802 1.113 -3.268) 3.545 3.486 ( -0.520 -0.246 -0.871) 1.044 3.638 ( 2.485 -0.312 0.911) 2.665 3.797 ( -0.652 -6.407 -1.415) 6.594 4.433 ( -1.934 -0.005 1.925) 2.729 4.608 ( 1.612 0.054 -4.629) 4.901 4.801 ( -0.742 0.535 0.349) 0.979 5.396 ( -7.032 3.685 5.151) 9.464 7.645 ( 2.416 2.259 -0.091) 3.308 8.003 ( -0.140 -1.188 1.323) 1.784 8.159 ( -4.677 2.788 0.610) 5.479 8.443 ( 1.736 -1.962 -3.798) 4.614 9.095 ( -4.770 -5.754 -3.038) 8.068 9.321 ( 3.676 -2.964 3.160) 5.681 17.894 ( 0.325 3.133 3.121) 4.434 18.054 ( 2.346 5.104 -3.004) 6.370 18.272 ( 3.044 -3.007 -1.906) 4.684 18.771 ( -5.010 3.805 -1.639) 6.501 19.466 ( 0.912 -3.284 0.993) 3.550 19.690 ( 1.844 -0.475 -1.558) 2.460 ======================= Grid point 240 (123/129) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.983 -4.596 4.381) 6.425 1.205 ( 6.585 -4.812 -1.391) 8.273 1.293 ( -4.319 7.468 1.934) 8.841 1.533 ( -5.295 -2.170 0.708) 5.767 1.631 ( 0.937 6.953 -1.403) 7.155 1.765 ( -3.230 7.401 -2.200) 8.370 1.842 ( -0.687 4.689 5.852) 7.531 1.875 ( -2.027 -0.570 -1.384) 2.520 1.986 ( 0.105 1.527 -2.264) 2.733 2.132 ( 3.820 -4.412 -0.459) 5.854 2.228 ( -2.195 -2.688 -2.417) 4.229 2.370 ( 2.001 2.258 4.437) 5.366 2.430 ( 3.504 -1.015 0.685) 3.712 2.516 ( -0.368 -2.274 3.123) 3.880 2.576 ( 1.427 -3.044 -1.729) 3.780 2.658 ( -0.042 -1.979 3.399) 3.933 2.805 ( 7.809 4.552 -3.442) 9.672 2.848 ( 4.587 -3.928 -1.964) 6.351 2.893 ( -2.440 -1.348 0.949) 2.945 2.967 ( -2.565 -0.124 2.903) 3.876 3.178 ( 0.008 2.489 3.121) 3.992 3.228 ( -0.202 -2.349 -2.052) 3.125 3.355 ( 0.556 -1.756 -2.729) 3.293 3.450 ( -1.006 3.206 -1.084) 3.531 3.654 ( 0.677 1.568 -0.037) 1.708 3.851 ( -1.093 -5.123 0.272) 5.245 4.407 ( -1.629 -0.078 0.905) 1.866 4.562 ( -0.944 3.459 -3.487) 5.002 4.863 ( 2.652 -3.857 1.374) 4.878 5.269 ( -4.575 3.053 3.383) 6.458 7.662 ( 2.714 1.587 -0.004) 3.144 7.945 ( -4.835 2.272 -1.837) 5.649 8.142 ( 0.568 -2.173 5.772) 6.193 8.470 ( 1.470 -0.080 -4.270) 4.517 9.063 ( -5.166 -3.997 -2.888) 7.142 9.412 ( 2.464 -2.492 2.157) 4.115 17.878 ( 0.589 1.517 1.124) 1.978 18.026 ( 1.263 3.526 -1.636) 4.087 18.346 ( 3.092 -1.592 -2.005) 4.014 18.649 ( -3.864 3.252 -2.075) 5.460 19.509 ( 0.096 -2.098 1.166) 2.403 19.719 ( 1.507 -0.280 -1.041) 1.853 ======================= Grid point 246 (124/129) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.371 -0.000 3.241) 3.519 1.126 ( -1.182 -0.000 0.154) 1.192 1.552 ( -1.084 -0.000 1.432) 1.796 1.558 ( -8.170 -0.000 -0.659) 8.197 1.716 ( 3.331 0.000 -0.868) 3.442 1.903 ( -1.646 -0.000 0.840) 1.848 1.915 ( -3.749 -0.000 1.713) 4.122 1.953 ( -2.314 -0.000 -0.401) 2.349 1.983 ( 2.259 0.000 -3.635) 4.280 2.044 ( 6.489 0.000 0.093) 6.490 2.241 ( 4.457 0.000 -0.093) 4.458 2.314 ( -0.638 -0.000 2.064) 2.160 2.372 ( 1.966 0.000 -2.507) 3.186 2.423 ( 3.106 0.000 -2.924) 4.265 2.436 ( 5.061 0.000 1.336) 5.235 2.579 ( 0.319 0.000 -1.399) 1.435 2.692 ( -4.711 -0.000 6.007) 7.633 2.842 ( 1.251 0.000 2.289) 2.609 2.922 ( 2.924 0.000 -1.230) 3.172 3.013 ( -3.949 -0.000 3.257) 5.119 3.129 ( 2.511 0.000 -3.774) 4.533 3.303 ( 1.167 0.000 6.923) 7.021 3.379 ( -2.789 -0.000 -3.276) 4.303 3.460 ( 1.571 0.000 -0.812) 1.768 3.626 ( 3.401 0.000 1.760) 3.830 3.715 ( 0.905 0.000 -4.799) 4.884 4.435 ( -2.389 -0.000 2.573) 3.511 4.589 ( 4.805 0.000 -3.250) 5.801 4.822 ( -5.318 -0.000 -2.361) 5.819 5.437 ( -7.692 -0.000 6.340) 9.968 7.681 ( 3.010 0.000 -0.186) 3.016 7.983 ( 0.841 0.000 3.349) 3.453 8.207 ( -7.632 -0.000 -2.405) 8.002 8.403 ( 2.632 0.000 -3.888) 4.696 9.025 ( -2.648 -0.000 -1.155) 2.889 9.291 ( 4.750 0.000 2.312) 5.283 17.935 ( -0.686 -0.000 4.350) 4.404 18.175 ( -0.944 -0.000 0.615) 1.127 18.175 ( 5.593 0.000 -7.300) 9.196 18.807 ( -6.614 -0.000 -0.785) 6.660 19.431 ( 2.576 0.000 0.833) 2.707 19.685 ( 2.160 0.000 -1.840) 2.838 ======================= Grid point 247 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.437 -3.089 3.369) 5.180 1.139 ( 2.695 -1.469 -0.115) 3.072 1.404 ( -8.958 1.016 1.944) 9.223 1.504 ( -5.597 1.342 0.635) 5.790 1.738 ( -3.005 0.422 -2.603) 3.998 1.836 ( -3.604 1.609 2.701) 4.783 1.861 ( -0.727 1.686 1.692) 2.497 1.965 ( 1.081 1.309 2.074) 2.680 2.017 ( 4.342 -2.035 -5.398) 7.220 2.117 ( 5.994 5.002 -2.368) 8.158 2.232 ( -3.220 3.724 -2.374) 5.465 2.373 ( 0.408 -2.182 -1.612) 2.744 2.379 ( 6.490 -3.272 -1.746) 7.475 2.474 ( -3.654 -0.836 6.764) 7.733 2.507 ( 4.729 -1.390 -0.842) 5.001 2.610 ( 0.969 -1.940 1.566) 2.675 2.699 ( 2.137 -5.655 0.869) 6.107 2.872 ( 0.647 0.191 2.902) 2.980 2.912 ( -1.247 2.483 -2.213) 3.552 2.959 ( -0.743 -0.331 0.707) 1.078 3.168 ( -0.319 -0.750 -1.031) 1.315 3.315 ( 2.455 5.166 5.469) 7.914 3.350 ( 0.921 0.356 -2.920) 3.083 3.482 ( 0.726 -0.745 -0.728) 1.270 3.683 ( 2.580 1.074 -0.331) 2.814 3.736 ( 1.344 -3.696 -1.702) 4.285 4.400 ( -2.800 -0.158 1.769) 3.316 4.642 ( 2.048 2.626 -4.463) 5.568 4.755 ( -1.737 -3.845 -1.461) 4.465 5.326 ( -7.368 1.377 7.142) 10.353 7.722 ( 4.010 2.402 -0.342) 4.687 7.996 ( -2.007 1.934 1.476) 3.154 8.086 ( -4.945 -2.204 1.395) 5.591 8.442 ( 2.432 -1.520 -5.136) 5.882 8.996 ( -1.967 -1.544 -0.088) 2.502 9.384 ( 5.690 -0.335 1.756) 5.964 17.918 ( -1.798 1.319 3.544) 4.187 18.124 ( 0.091 4.461 -1.786) 4.806 18.269 ( 3.441 -4.220 -6.224) 8.270 18.686 ( -7.987 0.364 -0.286) 8.000 19.483 ( 3.261 -0.344 0.849) 3.388 19.718 ( 2.520 0.076 -1.651) 3.013 ======================= Grid point 248 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.137 -6.474 3.079) 7.480 1.210 ( -2.504 -0.949 3.008) 4.027 1.302 ( -1.639 -3.032 1.933) 3.952 1.389 ( -6.076 -0.182 2.449) 6.553 1.633 ( -6.916 1.088 -1.706) 7.206 1.724 ( -8.478 1.252 -1.759) 8.749 1.869 ( 5.614 4.903 -1.486) 7.600 1.962 ( 2.195 4.302 1.782) 5.148 2.031 ( 0.182 5.030 -4.819) 6.969 2.174 ( 3.695 -4.651 -1.381) 6.099 2.209 ( 4.109 2.510 0.814) 4.884 2.393 ( -4.512 -5.140 2.793) 7.388 2.433 ( -2.243 -0.863 3.600) 4.328 2.484 ( 3.634 -1.302 -0.057) 3.861 2.537 ( -3.506 -0.528 0.206) 3.552 2.644 ( 0.130 -0.670 1.998) 2.111 2.790 ( -1.948 -5.711 -1.915) 6.330 2.884 ( 2.820 0.259 0.778) 2.937 2.931 ( 5.275 -1.451 -3.250) 6.364 2.959 ( 0.477 1.433 0.682) 1.657 3.149 ( -1.410 -1.106 -1.165) 2.137 3.291 ( 0.259 3.688 3.069) 4.805 3.365 ( 2.267 1.559 -0.924) 2.903 3.490 ( 1.590 3.175 -0.294) 3.562 3.666 ( -0.786 1.513 -3.230) 3.652 3.825 ( 3.569 -2.896 2.289) 5.135 4.370 ( -2.128 -1.301 0.537) 2.551 4.582 ( -1.242 3.746 -2.294) 4.565 4.841 ( 2.762 -6.222 -1.792) 7.040 5.229 ( -4.774 1.010 4.794) 6.841 7.740 ( 2.617 4.479 -0.037) 5.188 7.887 ( -4.822 1.335 -0.770) 5.063 8.128 ( 0.585 -4.173 4.973) 6.518 8.476 ( 1.831 -0.878 -6.145) 6.472 9.002 ( 1.065 -0.451 2.721) 2.957 9.470 ( 5.113 1.107 1.021) 5.330 17.877 ( -2.726 0.445 2.002) 3.411 18.067 ( -0.834 3.877 -1.849) 4.375 18.341 ( 1.362 -3.986 -5.445) 6.884 18.568 ( -6.873 -1.339 -0.759) 7.043 19.534 ( 3.071 0.898 1.131) 3.394 19.746 ( 1.854 0.789 -1.160) 2.325 ======================= Grid point 255 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -3.666 -0.000 1.891) 4.125 1.181 ( 3.048 0.000 0.779) 3.146 1.247 ( -10.744 -0.000 6.002) 12.306 1.435 ( -5.385 -0.000 0.175) 5.388 1.597 ( -9.687 -0.000 -4.666) 10.752 1.786 ( -6.473 -0.000 3.856) 7.534 1.961 ( 6.075 0.000 1.219) 6.196 1.988 ( 1.776 0.000 1.822) 2.545 2.059 ( 4.809 0.000 -4.046) 6.284 2.190 ( -0.942 -0.000 -6.870) 6.935 2.218 ( -3.044 -0.000 -2.007) 3.646 2.319 ( -5.392 -0.000 7.428) 9.179 2.405 ( 1.467 0.000 -2.237) 2.675 2.471 ( 5.555 0.000 0.596) 5.587 2.532 ( -1.321 -0.000 -0.812) 1.551 2.641 ( 2.835 0.000 1.493) 3.204 2.675 ( -0.805 -0.000 -0.221) 0.835 2.901 ( 2.094 0.000 -2.177) 3.021 2.909 ( 2.150 0.000 1.520) 2.633 2.984 ( 1.979 0.000 2.219) 2.973 3.140 ( -1.408 -0.000 -1.896) 2.362 3.324 ( -3.408 -0.000 -0.323) 3.423 3.407 ( 2.374 0.000 5.459) 5.953 3.517 ( 4.355 0.000 -2.376) 4.961 3.698 ( -0.529 -0.000 -5.266) 5.292 3.780 ( 5.795 0.000 3.214) 6.626 4.356 ( -2.889 -0.000 0.954) 3.043 4.651 ( -4.174 -0.000 -1.487) 4.431 4.729 ( 5.219 0.000 -4.439) 6.851 5.244 ( -6.343 -0.000 6.807) 9.304 7.809 ( 5.108 0.000 -1.019) 5.209 7.929 ( -8.775 -0.000 -1.398) 8.885 8.044 ( 1.426 0.000 5.558) 5.738 8.458 ( 2.435 0.000 -6.108) 6.576 8.999 ( 2.798 0.000 4.045) 4.918 9.486 ( 6.801 0.000 1.129) 6.894 17.887 ( -4.128 -0.000 3.600) 5.477 18.140 ( -1.052 -0.000 -0.419) 1.132 18.258 ( 1.124 0.000 -10.059) 10.122 18.551 ( -8.990 -0.000 0.420) 9.000 19.547 ( 4.315 0.000 0.664) 4.366 19.757 ( 2.687 0.000 -1.377) 3.019 ======================= Grid point 256 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -2.596 -5.594 1.684) 6.393 1.116 ( -9.307 -0.716 8.347) 12.522 1.181 ( -7.338 -2.125 5.456) 9.388 1.399 ( 2.523 -0.257 -1.405) 2.900 1.461 ( -7.799 -4.122 -4.829) 10.057 1.647 ( -7.343 5.818 -1.030) 9.425 1.971 ( -3.508 -3.358 5.650) 7.450 2.024 ( 2.043 4.971 -3.603) 6.471 2.086 ( -0.341 3.907 1.515) 4.204 2.149 ( 2.225 -1.103 -1.906) 3.131 2.195 ( -6.950 -4.632 3.732) 9.148 2.291 ( 2.709 -2.380 -2.487) 4.381 2.453 ( -0.801 -0.360 -1.032) 1.355 2.476 ( 0.194 1.927 -4.005) 4.449 2.528 ( 1.585 0.681 0.644) 1.841 2.637 ( -1.545 0.073 -0.371) 1.591 2.709 ( -0.584 -3.539 0.562) 3.631 2.925 ( 0.122 0.688 -0.740) 1.018 2.963 ( 3.395 -1.903 0.318) 3.906 3.012 ( 2.564 3.074 1.788) 4.384 3.147 ( 2.156 -0.873 -1.143) 2.592 3.290 ( 0.953 -0.897 0.402) 1.370 3.436 ( 1.838 1.918 2.668) 3.765 3.547 ( 0.609 2.169 -1.350) 2.627 3.655 ( -1.857 1.877 -4.147) 4.916 3.890 ( 5.935 -1.011 3.323) 6.877 4.324 ( -1.911 -1.038 -0.038) 2.175 4.583 ( -2.241 1.759 -0.928) 2.996 4.826 ( 4.569 -4.267 -3.865) 7.350 5.166 ( -5.487 -0.179 3.584) 6.556 7.772 ( -7.112 3.239 -1.203) 7.907 7.878 ( 4.304 1.032 -0.129) 4.428 8.105 ( 0.949 -3.386 5.558) 6.577 8.479 ( 1.817 -0.518 -7.023) 7.273 9.101 ( 9.082 1.293 7.347) 11.753 9.588 ( 6.835 2.010 1.498) 7.280 17.820 ( -5.166 -0.250 2.391) 5.698 18.084 ( -2.340 4.856 -2.480) 5.934 18.257 ( -2.619 -6.366 -7.942) 10.510 18.426 ( -7.992 -1.978 0.409) 8.243 19.608 ( 3.894 1.121 0.635) 4.102 19.790 ( 2.609 1.265 -0.748) 2.994 ======================= Grid point 264 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -2.847 -0.000 1.173) 3.079 0.994 ( -9.618 -0.000 13.357) 16.460 1.051 ( -9.058 -0.000 5.095) 10.392 1.286 ( -5.648 -0.000 -6.320) 8.476 1.475 ( 5.191 0.000 -1.201) 5.328 1.594 ( -4.982 -0.000 -2.778) 5.704 1.778 ( -14.164 -0.000 13.607) 19.641 2.043 ( -3.932 -0.000 -0.146) 3.934 2.062 ( -1.971 -0.000 -0.215) 1.982 2.129 ( 1.406 0.000 -5.758) 5.927 2.269 ( 0.989 0.000 -2.082) 2.305 2.278 ( 6.043 0.000 -1.134) 6.149 2.389 ( -4.849 -0.000 2.421) 5.420 2.460 ( -3.577 -0.000 -9.307) 9.971 2.551 ( -0.559 -0.000 1.572) 1.669 2.663 ( 5.532 0.000 -1.914) 5.854 2.683 ( -0.508 -0.000 1.953) 2.018 2.916 ( -1.350 -0.000 -0.031) 1.351 3.000 ( 2.692 0.000 0.753) 2.795 3.104 ( 4.534 0.000 2.217) 5.047 3.133 ( -1.541 -0.000 0.979) 1.826 3.388 ( 10.769 0.000 -0.234) 10.771 3.464 ( 0.043 0.000 1.175) 1.175 3.524 ( -4.625 -0.000 -1.910) 5.004 3.624 ( -2.588 -0.000 -2.509) 3.605 3.987 ( 5.739 0.000 3.620) 6.785 4.293 ( -1.024 -0.000 -0.255) 1.055 4.557 ( -1.752 -0.000 -0.501) 1.822 4.865 ( 4.364 0.000 -4.554) 6.307 5.066 ( -7.920 -0.000 0.705) 7.951 7.666 ( -7.077 -0.000 -0.318) 7.084 7.952 ( 3.751 0.000 -1.318) 3.976 8.123 ( 1.323 0.000 7.431) 7.548 8.483 ( 1.392 0.000 -7.745) 7.869 9.326 ( 14.798 0.000 6.475) 16.152 9.723 ( 7.794 0.000 3.711) 8.632 17.736 ( -5.560 -0.000 1.377) 5.728 18.055 ( -10.917 -0.000 -8.623) 13.912 18.121 ( 0.359 0.000 -1.062) 1.121 18.297 ( -7.077 -0.000 1.159) 7.171 19.672 ( 3.377 0.000 0.328) 3.393 19.844 ( 3.029 0.000 -0.298) 3.043 =================== 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 3/18816 10.0 45.604 44.138 59.881 -0.000 -3.474 0.000 3/18816 20.0 10.866 10.912 10.290 -0.000 -0.631 0.000 3/18816 30.0 5.034 5.038 4.465 -0.000 -0.338 0.000 3/18816 40.0 3.157 3.139 2.726 -0.000 -0.233 0.000 3/18816 50.0 2.298 2.271 1.954 -0.000 -0.178 0.000 3/18816 60.0 1.819 1.786 1.531 -0.000 -0.143 0.000 3/18816 70.0 1.516 1.479 1.268 -0.000 -0.118 0.000 3/18816 80.0 1.309 1.270 1.091 -0.000 -0.099 0.000 3/18816 90.0 1.159 1.117 0.964 -0.000 -0.084 0.000 3/18816 100.0 1.045 1.002 0.868 -0.000 -0.072 0.000 3/18816 110.0 0.955 0.911 0.794 -0.000 -0.062 0.000 3/18816 120.0 0.883 0.837 0.735 -0.000 -0.054 0.000 3/18816 130.0 0.822 0.777 0.687 -0.000 -0.048 0.000 3/18816 140.0 0.771 0.726 0.647 -0.000 -0.042 0.000 3/18816 150.0 0.728 0.682 0.613 -0.000 -0.038 0.000 3/18816 160.0 0.689 0.644 0.584 -0.000 -0.034 0.000 3/18816 170.0 0.656 0.611 0.558 -0.000 -0.031 0.000 3/18816 180.0 0.626 0.582 0.536 -0.000 -0.029 0.000 3/18816 190.0 0.599 0.556 0.516 -0.000 -0.026 0.000 3/18816 200.0 0.574 0.532 0.498 -0.000 -0.025 0.000 3/18816 210.0 0.552 0.510 0.481 -0.000 -0.023 0.000 3/18816 220.0 0.531 0.491 0.466 -0.000 -0.022 0.000 3/18816 230.0 0.512 0.473 0.452 -0.000 -0.020 0.000 3/18816 240.0 0.495 0.456 0.439 -0.000 -0.019 0.000 3/18816 250.0 0.479 0.441 0.426 -0.000 -0.018 0.000 3/18816 260.0 0.463 0.426 0.415 -0.000 -0.018 0.000 3/18816 270.0 0.449 0.413 0.404 -0.000 -0.017 0.000 3/18816 280.0 0.436 0.400 0.394 -0.000 -0.016 0.000 3/18816 290.0 0.423 0.388 0.384 -0.000 -0.016 0.000 3/18816 300.0 0.411 0.377 0.375 -0.000 -0.015 0.000 3/18816 310.0 0.400 0.367 0.366 -0.000 -0.014 0.000 3/18816 320.0 0.390 0.357 0.357 -0.000 -0.014 0.000 3/18816 330.0 0.379 0.348 0.349 -0.000 -0.014 0.000 3/18816 340.0 0.370 0.339 0.341 -0.000 -0.013 0.000 3/18816 350.0 0.361 0.330 0.334 -0.000 -0.013 0.000 3/18816 360.0 0.352 0.322 0.327 -0.000 -0.012 0.000 3/18816 370.0 0.344 0.314 0.320 -0.000 -0.012 0.000 3/18816 380.0 0.336 0.307 0.313 -0.000 -0.012 0.000 3/18816 390.0 0.328 0.300 0.307 -0.000 -0.011 0.000 3/18816 400.0 0.321 0.293 0.301 -0.000 -0.011 0.000 3/18816 410.0 0.314 0.287 0.295 -0.000 -0.011 0.000 3/18816 420.0 0.307 0.281 0.289 -0.000 -0.011 0.000 3/18816 430.0 0.301 0.275 0.284 -0.000 -0.010 0.000 3/18816 440.0 0.295 0.269 0.279 -0.000 -0.010 0.000 3/18816 450.0 0.289 0.264 0.274 -0.000 -0.010 0.000 3/18816 460.0 0.283 0.259 0.269 -0.000 -0.010 0.000 3/18816 470.0 0.278 0.254 0.264 -0.000 -0.010 0.000 3/18816 480.0 0.273 0.249 0.259 -0.000 -0.009 0.000 3/18816 490.0 0.268 0.244 0.255 -0.000 -0.009 0.000 3/18816 500.0 0.263 0.240 0.250 -0.000 -0.009 0.000 3/18816 510.0 0.258 0.235 0.246 -0.000 -0.009 0.000 3/18816 520.0 0.253 0.231 0.242 -0.000 -0.009 0.000 3/18816 530.0 0.249 0.227 0.238 -0.000 -0.009 0.000 3/18816 540.0 0.245 0.223 0.234 -0.000 -0.008 0.000 3/18816 550.0 0.241 0.219 0.231 -0.000 -0.008 0.000 3/18816 560.0 0.237 0.216 0.227 -0.000 -0.008 0.000 3/18816 570.0 0.233 0.212 0.224 -0.000 -0.008 0.000 3/18816 580.0 0.229 0.209 0.220 -0.000 -0.008 0.000 3/18816 590.0 0.225 0.205 0.217 -0.000 -0.008 0.000 3/18816 600.0 0.222 0.202 0.214 -0.000 -0.008 0.000 3/18816 610.0 0.218 0.199 0.211 -0.000 -0.007 0.000 3/18816 620.0 0.215 0.196 0.208 -0.000 -0.007 0.000 3/18816 630.0 0.212 0.193 0.205 -0.000 -0.007 0.000 3/18816 640.0 0.209 0.190 0.202 -0.000 -0.007 0.000 3/18816 650.0 0.206 0.188 0.199 -0.000 -0.007 0.000 3/18816 660.0 0.203 0.185 0.196 -0.000 -0.007 0.000 3/18816 670.0 0.200 0.182 0.194 -0.000 -0.007 0.000 3/18816 680.0 0.197 0.180 0.191 -0.000 -0.007 0.000 3/18816 690.0 0.195 0.177 0.188 -0.000 -0.007 0.000 3/18816 700.0 0.192 0.175 0.186 -0.000 -0.007 0.000 3/18816 710.0 0.189 0.172 0.184 -0.000 -0.006 0.000 3/18816 720.0 0.187 0.170 0.181 -0.000 -0.006 0.000 3/18816 730.0 0.184 0.168 0.179 -0.000 -0.006 0.000 3/18816 740.0 0.182 0.166 0.177 -0.000 -0.006 0.000 3/18816 750.0 0.180 0.164 0.175 -0.000 -0.006 0.000 3/18816 760.0 0.177 0.162 0.172 -0.000 -0.006 0.000 3/18816 770.0 0.175 0.160 0.170 -0.000 -0.006 0.000 3/18816 780.0 0.173 0.158 0.168 -0.000 -0.006 0.000 3/18816 790.0 0.171 0.156 0.166 -0.000 -0.006 0.000 3/18816 800.0 0.169 0.154 0.164 -0.000 -0.006 0.000 3/18816 810.0 0.167 0.152 0.163 -0.000 -0.006 0.000 3/18816 820.0 0.165 0.150 0.161 -0.000 -0.006 0.000 3/18816 830.0 0.163 0.148 0.159 -0.000 -0.006 0.000 3/18816 840.0 0.161 0.147 0.157 -0.000 -0.005 0.000 3/18816 850.0 0.159 0.145 0.155 -0.000 -0.005 0.000 3/18816 860.0 0.158 0.143 0.154 -0.000 -0.005 0.000 3/18816 870.0 0.156 0.142 0.152 -0.000 -0.005 0.000 3/18816 880.0 0.154 0.140 0.150 -0.000 -0.005 0.000 3/18816 890.0 0.152 0.139 0.149 -0.000 -0.005 0.000 3/18816 900.0 0.151 0.137 0.147 -0.000 -0.005 0.000 3/18816 910.0 0.149 0.136 0.146 -0.000 -0.005 0.000 3/18816 920.0 0.148 0.134 0.144 -0.000 -0.005 0.000 3/18816 930.0 0.146 0.133 0.143 -0.000 -0.005 0.000 3/18816 940.0 0.145 0.132 0.141 -0.000 -0.005 0.000 3/18816 950.0 0.143 0.130 0.140 -0.000 -0.005 0.000 3/18816 960.0 0.142 0.129 0.139 -0.000 -0.005 0.000 3/18816 970.0 0.140 0.128 0.137 -0.000 -0.005 0.000 3/18816 980.0 0.139 0.126 0.136 -0.000 -0.005 0.000 3/18816 990.0 0.138 0.125 0.135 -0.000 -0.005 0.000 3/18816 1000.0 0.136 0.124 0.133 -0.000 -0.005 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|