----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:07:48]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.571583150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.468428100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.526986510000000 Atomic positions (fractional): *1 Yb 0.75996708224054 0.75000000000000 0.61074650450955 173.054 2 Yb 0.25996708224053 0.75000000000000 0.88925349549045 173.054 3 Yb 0.74003291775946 0.25000000000000 0.11074650450955 173.054 4 Yb 0.24003291775946 0.25000000000000 0.38925349549045 173.054 *5 H 0.15084421214484 0.75000000000000 0.57188410239169 1.008 *6 H 0.47428022041761 0.25000000000000 0.68774681563227 1.008 7 H 0.97428022041761 0.25000000000000 0.81225318436773 1.008 8 H 0.65084421214484 0.75000000000000 0.92811589760831 1.008 9 H 0.34915578785516 0.25000000000000 0.07188410239170 1.008 10 H 0.02571977958239 0.75000000000000 0.18774681563227 1.008 11 H 0.52571977958239 0.75000000000000 0.31225318436773 1.008 12 H 0.84915578785516 0.25000000000000 0.42811589760830 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.571583150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.468428100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.526986510000000 Atomic positions (fractional): *1 Yb 0.75996708224054 0.75000000000000 0.61074650450955 173.054 > 1 2 Yb 0.25996708224053 0.75000000000000 0.88925349549045 173.054 > 2 3 Yb 0.74003291775946 0.25000000000000 0.11074650450955 173.054 > 3 4 Yb 0.24003291775946 0.25000000000000 0.38925349549045 173.054 > 4 *5 H 0.15084421214484 0.75000000000000 0.57188410239169 1.008 > 5 *6 H 0.47428022041761 0.25000000000000 0.68774681563227 1.008 > 6 7 H 0.97428022041761 0.25000000000000 0.81225318436773 1.008 > 7 8 H 0.65084421214484 0.75000000000000 0.92811589760831 1.008 > 8 9 H 0.34915578785516 0.25000000000000 0.07188410239170 1.008 > 9 10 H 0.02571977958239 0.75000000000000 0.18774681563227 1.008 > 10 11 H 0.52571977958239 0.75000000000000 0.31225318436773 1.008 > 11 12 H 0.84915578785516 0.25000000000000 0.42811589760830 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.143166300000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405284300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.053973020000001 Atomic positions (fractional): *1 Yb 0.37998354112027 0.25000000000000 0.30537325225478 173.054 > 1 2 Yb 0.87998354112027 0.25000000000000 0.30537325225478 173.054 > 1 3 Yb 0.37998354112027 0.58333333333333 0.30537325225478 173.054 > 1 4 Yb 0.87998354112027 0.58333333333333 0.30537325225478 173.054 > 1 5 Yb 0.37998354112027 0.91666666666667 0.30537325225478 173.054 > 1 6 Yb 0.87998354112027 0.91666666666667 0.30537325225478 173.054 > 1 7 Yb 0.37998354112027 0.25000000000000 0.80537325225478 173.054 > 1 8 Yb 0.87998354112027 0.25000000000000 0.80537325225478 173.054 > 1 9 Yb 0.37998354112027 0.58333333333333 0.80537325225478 173.054 > 1 10 Yb 0.87998354112027 0.58333333333333 0.80537325225478 173.054 > 1 11 Yb 0.37998354112027 0.91666666666667 0.80537325225478 173.054 > 1 12 Yb 0.87998354112027 0.91666666666667 0.80537325225478 173.054 > 1 13 Yb 0.12998354112027 0.25000000000000 0.44462674774522 173.054 > 2 14 Yb 0.62998354112027 0.25000000000000 0.44462674774522 173.054 > 2 15 Yb 0.12998354112027 0.58333333333333 0.44462674774522 173.054 > 2 16 Yb 0.62998354112027 0.58333333333333 0.44462674774522 173.054 > 2 17 Yb 0.12998354112027 0.91666666666667 0.44462674774522 173.054 > 2 18 Yb 0.62998354112027 0.91666666666667 0.44462674774522 173.054 > 2 19 Yb 0.12998354112027 0.25000000000000 0.94462674774522 173.054 > 2 20 Yb 0.62998354112027 0.25000000000000 0.94462674774522 173.054 > 2 21 Yb 0.12998354112027 0.58333333333333 0.94462674774522 173.054 > 2 22 Yb 0.62998354112027 0.58333333333333 0.94462674774522 173.054 > 2 23 Yb 0.12998354112027 0.91666666666667 0.94462674774522 173.054 > 2 24 Yb 0.62998354112027 0.91666666666667 0.94462674774522 173.054 > 2 25 Yb 0.37001645887973 0.08333333333333 0.05537325225478 173.054 > 3 26 Yb 0.87001645887973 0.08333333333333 0.05537325225478 173.054 > 3 27 Yb 0.37001645887973 0.41666666666667 0.05537325225478 173.054 > 3 28 Yb 0.87001645887973 0.41666666666667 0.05537325225478 173.054 > 3 29 Yb 0.37001645887973 0.75000000000000 0.05537325225478 173.054 > 3 30 Yb 0.87001645887973 0.75000000000000 0.05537325225478 173.054 > 3 31 Yb 0.37001645887973 0.08333333333333 0.55537325225478 173.054 > 3 32 Yb 0.87001645887973 0.08333333333333 0.55537325225478 173.054 > 3 33 Yb 0.37001645887973 0.41666666666667 0.55537325225478 173.054 > 3 34 Yb 0.87001645887973 0.41666666666667 0.55537325225478 173.054 > 3 35 Yb 0.37001645887973 0.75000000000000 0.55537325225478 173.054 > 3 36 Yb 0.87001645887973 0.75000000000000 0.55537325225478 173.054 > 3 37 Yb 0.12001645887973 0.08333333333333 0.19462674774522 173.054 > 4 38 Yb 0.62001645887973 0.08333333333333 0.19462674774522 173.054 > 4 39 Yb 0.12001645887973 0.41666666666667 0.19462674774522 173.054 > 4 40 Yb 0.62001645887973 0.41666666666667 0.19462674774522 173.054 > 4 41 Yb 0.12001645887973 0.75000000000000 0.19462674774522 173.054 > 4 42 Yb 0.62001645887973 0.75000000000000 0.19462674774522 173.054 > 4 43 Yb 0.12001645887973 0.08333333333333 0.69462674774522 173.054 > 4 44 Yb 0.62001645887973 0.08333333333333 0.69462674774522 173.054 > 4 45 Yb 0.12001645887973 0.41666666666667 0.69462674774522 173.054 > 4 46 Yb 0.62001645887973 0.41666666666667 0.69462674774522 173.054 > 4 47 Yb 0.12001645887973 0.75000000000000 0.69462674774522 173.054 > 4 48 Yb 0.62001645887973 0.75000000000000 0.69462674774522 173.054 > 4 *49 H 0.07542210607242 0.25000000000000 0.28594205119585 1.008 > 5 50 H 0.57542210607242 0.25000000000000 0.28594205119585 1.008 > 5 51 H 0.07542210607242 0.58333333333333 0.28594205119585 1.008 > 5 52 H 0.57542210607242 0.58333333333333 0.28594205119585 1.008 > 5 53 H 0.07542210607242 0.91666666666667 0.28594205119585 1.008 > 5 54 H 0.57542210607242 0.91666666666667 0.28594205119585 1.008 > 5 55 H 0.07542210607242 0.25000000000000 0.78594205119585 1.008 > 5 56 H 0.57542210607242 0.25000000000000 0.78594205119585 1.008 > 5 57 H 0.07542210607242 0.58333333333333 0.78594205119585 1.008 > 5 58 H 0.57542210607242 0.58333333333333 0.78594205119585 1.008 > 5 59 H 0.07542210607242 0.91666666666667 0.78594205119585 1.008 > 5 60 H 0.57542210607242 0.91666666666667 0.78594205119585 1.008 > 5 *61 H 0.23714011020881 0.08333333333333 0.34387340781613 1.008 > 6 62 H 0.73714011020881 0.08333333333333 0.34387340781613 1.008 > 6 63 H 0.23714011020881 0.41666666666667 0.34387340781613 1.008 > 6 64 H 0.73714011020881 0.41666666666667 0.34387340781613 1.008 > 6 65 H 0.23714011020881 0.75000000000000 0.34387340781613 1.008 > 6 66 H 0.73714011020881 0.75000000000000 0.34387340781613 1.008 > 6 67 H 0.23714011020881 0.08333333333333 0.84387340781613 1.008 > 6 68 H 0.73714011020881 0.08333333333333 0.84387340781613 1.008 > 6 69 H 0.23714011020881 0.41666666666667 0.84387340781613 1.008 > 6 70 H 0.73714011020881 0.41666666666667 0.84387340781613 1.008 > 6 71 H 0.23714011020881 0.75000000000000 0.84387340781613 1.008 > 6 72 H 0.73714011020881 0.75000000000000 0.84387340781613 1.008 > 6 73 H 0.48714011020881 0.08333333333333 0.40612659218387 1.008 > 7 74 H 0.98714011020881 0.08333333333333 0.40612659218387 1.008 > 7 75 H 0.48714011020881 0.41666666666667 0.40612659218387 1.008 > 7 76 H 0.98714011020881 0.41666666666667 0.40612659218387 1.008 > 7 77 H 0.48714011020881 0.75000000000000 0.40612659218387 1.008 > 7 78 H 0.98714011020881 0.75000000000000 0.40612659218387 1.008 > 7 79 H 0.48714011020881 0.08333333333333 0.90612659218387 1.008 > 7 80 H 0.98714011020881 0.08333333333333 0.90612659218387 1.008 > 7 81 H 0.48714011020881 0.41666666666667 0.90612659218387 1.008 > 7 82 H 0.98714011020881 0.41666666666667 0.90612659218387 1.008 > 7 83 H 0.48714011020881 0.75000000000000 0.90612659218387 1.008 > 7 84 H 0.98714011020881 0.75000000000000 0.90612659218387 1.008 > 7 85 H 0.32542210607242 0.25000000000000 0.46405794880415 1.008 > 8 86 H 0.82542210607242 0.25000000000000 0.46405794880415 1.008 > 8 87 H 0.32542210607242 0.58333333333333 0.46405794880415 1.008 > 8 88 H 0.82542210607242 0.58333333333333 0.46405794880415 1.008 > 8 89 H 0.32542210607242 0.91666666666667 0.46405794880415 1.008 > 8 90 H 0.82542210607242 0.91666666666667 0.46405794880415 1.008 > 8 91 H 0.32542210607242 0.25000000000000 0.96405794880415 1.008 > 8 92 H 0.82542210607242 0.25000000000000 0.96405794880415 1.008 > 8 93 H 0.32542210607242 0.58333333333333 0.96405794880415 1.008 > 8 94 H 0.82542210607242 0.58333333333333 0.96405794880415 1.008 > 8 95 H 0.32542210607242 0.91666666666667 0.96405794880415 1.008 > 8 96 H 0.82542210607242 0.91666666666667 0.96405794880415 1.008 > 8 97 H 0.17457789392758 0.08333333333333 0.03594205119585 1.008 > 9 98 H 0.67457789392758 0.08333333333333 0.03594205119585 1.008 > 9 99 H 0.17457789392758 0.41666666666667 0.03594205119585 1.008 > 9 100 H 0.67457789392758 0.41666666666667 0.03594205119585 1.008 > 9 101 H 0.17457789392758 0.75000000000000 0.03594205119585 1.008 > 9 102 H 0.67457789392758 0.75000000000000 0.03594205119585 1.008 > 9 103 H 0.17457789392758 0.08333333333333 0.53594205119585 1.008 > 9 104 H 0.67457789392758 0.08333333333333 0.53594205119585 1.008 > 9 105 H 0.17457789392758 0.41666666666667 0.53594205119585 1.008 > 9 106 H 0.67457789392758 0.41666666666667 0.53594205119585 1.008 > 9 107 H 0.17457789392758 0.75000000000000 0.53594205119585 1.008 > 9 108 H 0.67457789392758 0.75000000000000 0.53594205119585 1.008 > 9 109 H 0.01285988979119 0.25000000000000 0.09387340781613 1.008 > 10 110 H 0.51285988979119 0.25000000000000 0.09387340781613 1.008 > 10 111 H 0.01285988979119 0.58333333333333 0.09387340781613 1.008 > 10 112 H 0.51285988979119 0.58333333333333 0.09387340781613 1.008 > 10 113 H 0.01285988979119 0.91666666666667 0.09387340781613 1.008 > 10 114 H 0.51285988979119 0.91666666666667 0.09387340781613 1.008 > 10 115 H 0.01285988979119 0.25000000000000 0.59387340781613 1.008 > 10 116 H 0.51285988979119 0.25000000000000 0.59387340781613 1.008 > 10 117 H 0.01285988979119 0.58333333333333 0.59387340781613 1.008 > 10 118 H 0.51285988979119 0.58333333333333 0.59387340781613 1.008 > 10 119 H 0.01285988979119 0.91666666666667 0.59387340781613 1.008 > 10 120 H 0.51285988979119 0.91666666666667 0.59387340781613 1.008 > 10 121 H 0.26285988979119 0.25000000000000 0.15612659218387 1.008 > 11 122 H 0.76285988979119 0.25000000000000 0.15612659218387 1.008 > 11 123 H 0.26285988979119 0.58333333333333 0.15612659218387 1.008 > 11 124 H 0.76285988979119 0.58333333333333 0.15612659218387 1.008 > 11 125 H 0.26285988979119 0.91666666666667 0.15612659218387 1.008 > 11 126 H 0.76285988979119 0.91666666666667 0.15612659218387 1.008 > 11 127 H 0.26285988979119 0.25000000000000 0.65612659218387 1.008 > 11 128 H 0.76285988979119 0.25000000000000 0.65612659218387 1.008 > 11 129 H 0.26285988979119 0.58333333333333 0.65612659218387 1.008 > 11 130 H 0.76285988979119 0.58333333333333 0.65612659218387 1.008 > 11 131 H 0.26285988979119 0.91666666666667 0.65612659218387 1.008 > 11 132 H 0.76285988979119 0.91666666666667 0.65612659218387 1.008 > 11 133 H 0.42457789392758 0.08333333333333 0.21405794880415 1.008 > 12 134 H 0.92457789392758 0.08333333333333 0.21405794880415 1.008 > 12 135 H 0.42457789392758 0.41666666666667 0.21405794880415 1.008 > 12 136 H 0.92457789392758 0.41666666666667 0.21405794880415 1.008 > 12 137 H 0.42457789392758 0.75000000000000 0.21405794880415 1.008 > 12 138 H 0.92457789392758 0.75000000000000 0.21405794880415 1.008 > 12 139 H 0.42457789392758 0.08333333333333 0.71405794880415 1.008 > 12 140 H 0.92457789392758 0.08333333333333 0.71405794880415 1.008 > 12 141 H 0.42457789392758 0.41666666666667 0.71405794880415 1.008 > 12 142 H 0.92457789392758 0.41666666666667 0.71405794880415 1.008 > 12 143 H 0.42457789392758 0.75000000000000 0.71405794880415 1.008 > 12 144 H 0.92457789392758 0.75000000000000 0.71405794880415 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8217765 0.0000000 0.0000000 0.0000000 4.6709715 0.0000000 0.0000000 0.0000000 5.0621759 -------------------------- Born effective charges -------------------------- 1 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 2 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 3 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 4 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 5 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 6 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 7 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 8 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 9 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 10 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 11 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 12 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.476 Solver_block: 200 / 240 - Time: 1.512 Solver_block: 240 / 240 - Time: 0.680 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.692 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:08:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:08:06]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.571583150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.468428100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.526986510000000 Atomic positions (fractional): 1 Yb 0.75996708224054 0.75000000000000 0.61074650450955 173.054 2 Yb 0.25996708224053 0.75000000000000 0.88925349549045 173.054 3 Yb 0.74003291775946 0.25000000000000 0.11074650450955 173.054 4 Yb 0.24003291775946 0.25000000000000 0.38925349549045 173.054 5 H 0.15084421214484 0.75000000000000 0.57188410239169 1.008 6 H 0.47428022041761 0.25000000000000 0.68774681563227 1.008 7 H 0.97428022041761 0.25000000000000 0.81225318436773 1.008 8 H 0.65084421214484 0.75000000000000 0.92811589760831 1.008 9 H 0.34915578785516 0.25000000000000 0.07188410239170 1.008 10 H 0.02571977958239 0.75000000000000 0.18774681563227 1.008 11 H 0.52571977958239 0.75000000000000 0.31225318436773 1.008 12 H 0.84915578785516 0.25000000000000 0.42811589760830 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.143166300000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405284300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.053973020000001 Atomic positions (fractional): 1 Yb 0.37998354112027 0.25000000000000 0.30537325225478 173.054 > 1 2 Yb 0.87998354112027 0.25000000000000 0.30537325225478 173.054 > 1 3 Yb 0.37998354112027 0.58333333333333 0.30537325225478 173.054 > 1 4 Yb 0.87998354112027 0.58333333333333 0.30537325225478 173.054 > 1 5 Yb 0.37998354112027 0.91666666666667 0.30537325225478 173.054 > 1 6 Yb 0.87998354112027 0.91666666666667 0.30537325225478 173.054 > 1 7 Yb 0.37998354112027 0.25000000000000 0.80537325225478 173.054 > 1 8 Yb 0.87998354112027 0.25000000000000 0.80537325225478 173.054 > 1 9 Yb 0.37998354112027 0.58333333333333 0.80537325225478 173.054 > 1 10 Yb 0.87998354112027 0.58333333333333 0.80537325225478 173.054 > 1 11 Yb 0.37998354112027 0.91666666666667 0.80537325225478 173.054 > 1 12 Yb 0.87998354112027 0.91666666666667 0.80537325225478 173.054 > 1 13 Yb 0.12998354112027 0.25000000000000 0.44462674774522 173.054 > 13 14 Yb 0.62998354112027 0.25000000000000 0.44462674774522 173.054 > 13 15 Yb 0.12998354112027 0.58333333333333 0.44462674774522 173.054 > 13 16 Yb 0.62998354112027 0.58333333333333 0.44462674774522 173.054 > 13 17 Yb 0.12998354112027 0.91666666666667 0.44462674774522 173.054 > 13 18 Yb 0.62998354112027 0.91666666666667 0.44462674774522 173.054 > 13 19 Yb 0.12998354112027 0.25000000000000 0.94462674774522 173.054 > 13 20 Yb 0.62998354112027 0.25000000000000 0.94462674774522 173.054 > 13 21 Yb 0.12998354112027 0.58333333333333 0.94462674774522 173.054 > 13 22 Yb 0.62998354112027 0.58333333333333 0.94462674774522 173.054 > 13 23 Yb 0.12998354112027 0.91666666666667 0.94462674774522 173.054 > 13 24 Yb 0.62998354112027 0.91666666666667 0.94462674774522 173.054 > 13 25 Yb 0.37001645887973 0.08333333333333 0.05537325225478 173.054 > 25 26 Yb 0.87001645887973 0.08333333333333 0.05537325225478 173.054 > 25 27 Yb 0.37001645887973 0.41666666666667 0.05537325225478 173.054 > 25 28 Yb 0.87001645887973 0.41666666666667 0.05537325225478 173.054 > 25 29 Yb 0.37001645887973 0.75000000000000 0.05537325225478 173.054 > 25 30 Yb 0.87001645887973 0.75000000000000 0.05537325225478 173.054 > 25 31 Yb 0.37001645887973 0.08333333333333 0.55537325225478 173.054 > 25 32 Yb 0.87001645887973 0.08333333333333 0.55537325225478 173.054 > 25 33 Yb 0.37001645887973 0.41666666666667 0.55537325225478 173.054 > 25 34 Yb 0.87001645887973 0.41666666666667 0.55537325225478 173.054 > 25 35 Yb 0.37001645887973 0.75000000000000 0.55537325225478 173.054 > 25 36 Yb 0.87001645887973 0.75000000000000 0.55537325225478 173.054 > 25 37 Yb 0.12001645887973 0.08333333333333 0.19462674774522 173.054 > 37 38 Yb 0.62001645887973 0.08333333333333 0.19462674774522 173.054 > 37 39 Yb 0.12001645887973 0.41666666666667 0.19462674774522 173.054 > 37 40 Yb 0.62001645887973 0.41666666666667 0.19462674774522 173.054 > 37 41 Yb 0.12001645887973 0.75000000000000 0.19462674774522 173.054 > 37 42 Yb 0.62001645887973 0.75000000000000 0.19462674774522 173.054 > 37 43 Yb 0.12001645887973 0.08333333333333 0.69462674774522 173.054 > 37 44 Yb 0.62001645887973 0.08333333333333 0.69462674774522 173.054 > 37 45 Yb 0.12001645887973 0.41666666666667 0.69462674774522 173.054 > 37 46 Yb 0.62001645887973 0.41666666666667 0.69462674774522 173.054 > 37 47 Yb 0.12001645887973 0.75000000000000 0.69462674774522 173.054 > 37 48 Yb 0.62001645887973 0.75000000000000 0.69462674774522 173.054 > 37 49 H 0.07542210607242 0.25000000000000 0.28594205119585 1.008 > 49 50 H 0.57542210607242 0.25000000000000 0.28594205119585 1.008 > 49 51 H 0.07542210607242 0.58333333333333 0.28594205119585 1.008 > 49 52 H 0.57542210607242 0.58333333333333 0.28594205119585 1.008 > 49 53 H 0.07542210607242 0.91666666666667 0.28594205119585 1.008 > 49 54 H 0.57542210607242 0.91666666666667 0.28594205119585 1.008 > 49 55 H 0.07542210607242 0.25000000000000 0.78594205119585 1.008 > 49 56 H 0.57542210607242 0.25000000000000 0.78594205119585 1.008 > 49 57 H 0.07542210607242 0.58333333333333 0.78594205119585 1.008 > 49 58 H 0.57542210607242 0.58333333333333 0.78594205119585 1.008 > 49 59 H 0.07542210607242 0.91666666666667 0.78594205119585 1.008 > 49 60 H 0.57542210607242 0.91666666666667 0.78594205119585 1.008 > 49 61 H 0.23714011020881 0.08333333333333 0.34387340781613 1.008 > 61 62 H 0.73714011020881 0.08333333333333 0.34387340781613 1.008 > 61 63 H 0.23714011020881 0.41666666666667 0.34387340781613 1.008 > 61 64 H 0.73714011020881 0.41666666666667 0.34387340781613 1.008 > 61 65 H 0.23714011020881 0.75000000000000 0.34387340781613 1.008 > 61 66 H 0.73714011020881 0.75000000000000 0.34387340781613 1.008 > 61 67 H 0.23714011020881 0.08333333333333 0.84387340781613 1.008 > 61 68 H 0.73714011020881 0.08333333333333 0.84387340781613 1.008 > 61 69 H 0.23714011020881 0.41666666666667 0.84387340781613 1.008 > 61 70 H 0.73714011020881 0.41666666666667 0.84387340781613 1.008 > 61 71 H 0.23714011020881 0.75000000000000 0.84387340781613 1.008 > 61 72 H 0.73714011020881 0.75000000000000 0.84387340781613 1.008 > 61 73 H 0.48714011020881 0.08333333333333 0.40612659218387 1.008 > 73 74 H 0.98714011020881 0.08333333333333 0.40612659218387 1.008 > 73 75 H 0.48714011020881 0.41666666666667 0.40612659218387 1.008 > 73 76 H 0.98714011020881 0.41666666666667 0.40612659218387 1.008 > 73 77 H 0.48714011020881 0.75000000000000 0.40612659218387 1.008 > 73 78 H 0.98714011020881 0.75000000000000 0.40612659218387 1.008 > 73 79 H 0.48714011020881 0.08333333333333 0.90612659218387 1.008 > 73 80 H 0.98714011020881 0.08333333333333 0.90612659218387 1.008 > 73 81 H 0.48714011020881 0.41666666666667 0.90612659218387 1.008 > 73 82 H 0.98714011020881 0.41666666666667 0.90612659218387 1.008 > 73 83 H 0.48714011020881 0.75000000000000 0.90612659218387 1.008 > 73 84 H 0.98714011020881 0.75000000000000 0.90612659218387 1.008 > 73 85 H 0.32542210607242 0.25000000000000 0.46405794880415 1.008 > 85 86 H 0.82542210607242 0.25000000000000 0.46405794880415 1.008 > 85 87 H 0.32542210607242 0.58333333333333 0.46405794880415 1.008 > 85 88 H 0.82542210607242 0.58333333333333 0.46405794880415 1.008 > 85 89 H 0.32542210607242 0.91666666666667 0.46405794880415 1.008 > 85 90 H 0.82542210607242 0.91666666666667 0.46405794880415 1.008 > 85 91 H 0.32542210607242 0.25000000000000 0.96405794880415 1.008 > 85 92 H 0.82542210607242 0.25000000000000 0.96405794880415 1.008 > 85 93 H 0.32542210607242 0.58333333333333 0.96405794880415 1.008 > 85 94 H 0.82542210607242 0.58333333333333 0.96405794880415 1.008 > 85 95 H 0.32542210607242 0.91666666666667 0.96405794880415 1.008 > 85 96 H 0.82542210607242 0.91666666666667 0.96405794880415 1.008 > 85 97 H 0.17457789392758 0.08333333333333 0.03594205119585 1.008 > 97 98 H 0.67457789392758 0.08333333333333 0.03594205119585 1.008 > 97 99 H 0.17457789392758 0.41666666666667 0.03594205119585 1.008 > 97 100 H 0.67457789392758 0.41666666666667 0.03594205119585 1.008 > 97 101 H 0.17457789392758 0.75000000000000 0.03594205119585 1.008 > 97 102 H 0.67457789392758 0.75000000000000 0.03594205119585 1.008 > 97 103 H 0.17457789392758 0.08333333333333 0.53594205119585 1.008 > 97 104 H 0.67457789392758 0.08333333333333 0.53594205119585 1.008 > 97 105 H 0.17457789392758 0.41666666666667 0.53594205119585 1.008 > 97 106 H 0.67457789392758 0.41666666666667 0.53594205119585 1.008 > 97 107 H 0.17457789392758 0.75000000000000 0.53594205119585 1.008 > 97 108 H 0.67457789392758 0.75000000000000 0.53594205119585 1.008 > 97 109 H 0.01285988979119 0.25000000000000 0.09387340781613 1.008 > 109 110 H 0.51285988979119 0.25000000000000 0.09387340781613 1.008 > 109 111 H 0.01285988979119 0.58333333333333 0.09387340781613 1.008 > 109 112 H 0.51285988979119 0.58333333333333 0.09387340781613 1.008 > 109 113 H 0.01285988979119 0.91666666666667 0.09387340781613 1.008 > 109 114 H 0.51285988979119 0.91666666666667 0.09387340781613 1.008 > 109 115 H 0.01285988979119 0.25000000000000 0.59387340781613 1.008 > 109 116 H 0.51285988979119 0.25000000000000 0.59387340781613 1.008 > 109 117 H 0.01285988979119 0.58333333333333 0.59387340781613 1.008 > 109 118 H 0.51285988979119 0.58333333333333 0.59387340781613 1.008 > 109 119 H 0.01285988979119 0.91666666666667 0.59387340781613 1.008 > 109 120 H 0.51285988979119 0.91666666666667 0.59387340781613 1.008 > 109 121 H 0.26285988979119 0.25000000000000 0.15612659218387 1.008 > 121 122 H 0.76285988979119 0.25000000000000 0.15612659218387 1.008 > 121 123 H 0.26285988979119 0.58333333333333 0.15612659218387 1.008 > 121 124 H 0.76285988979119 0.58333333333333 0.15612659218387 1.008 > 121 125 H 0.26285988979119 0.91666666666667 0.15612659218387 1.008 > 121 126 H 0.76285988979119 0.91666666666667 0.15612659218387 1.008 > 121 127 H 0.26285988979119 0.25000000000000 0.65612659218387 1.008 > 121 128 H 0.76285988979119 0.25000000000000 0.65612659218387 1.008 > 121 129 H 0.26285988979119 0.58333333333333 0.65612659218387 1.008 > 121 130 H 0.76285988979119 0.58333333333333 0.65612659218387 1.008 > 121 131 H 0.26285988979119 0.91666666666667 0.65612659218387 1.008 > 121 132 H 0.76285988979119 0.91666666666667 0.65612659218387 1.008 > 121 133 H 0.42457789392758 0.08333333333333 0.21405794880415 1.008 > 133 134 H 0.92457789392758 0.08333333333333 0.21405794880415 1.008 > 133 135 H 0.42457789392758 0.41666666666667 0.21405794880415 1.008 > 133 136 H 0.92457789392758 0.41666666666667 0.21405794880415 1.008 > 133 137 H 0.42457789392758 0.75000000000000 0.21405794880415 1.008 > 133 138 H 0.92457789392758 0.75000000000000 0.21405794880415 1.008 > 133 139 H 0.42457789392758 0.08333333333333 0.71405794880415 1.008 > 133 140 H 0.92457789392758 0.08333333333333 0.71405794880415 1.008 > 133 141 H 0.42457789392758 0.41666666666667 0.71405794880415 1.008 > 133 142 H 0.92457789392758 0.41666666666667 0.71405794880415 1.008 > 133 143 H 0.42457789392758 0.75000000000000 0.71405794880415 1.008 > 133 144 H 0.92457789392758 0.75000000000000 0.71405794880415 1.008 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8217765 0.0000000 0.0000000 0.0000000 4.6709715 0.0000000 0.0000000 0.0000000 5.0621759 -------------------------- Born effective charges -------------------------- 1 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 2 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 3 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 4 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 5 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 6 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 7 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 8 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 9 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 10 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 11 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 12 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:08:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:08:23]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.571583150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.468428100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.526986510000000 Atomic positions (fractional): 1 Yb 0.75996708224054 0.75000000000000 0.61074650450955 173.054 2 Yb 0.25996708224053 0.75000000000000 0.88925349549045 173.054 3 Yb 0.74003291775946 0.25000000000000 0.11074650450955 173.054 4 Yb 0.24003291775946 0.25000000000000 0.38925349549045 173.054 5 H 0.15084421214484 0.75000000000000 0.57188410239169 1.008 6 H 0.47428022041761 0.25000000000000 0.68774681563227 1.008 7 H 0.97428022041761 0.25000000000000 0.81225318436773 1.008 8 H 0.65084421214484 0.75000000000000 0.92811589760831 1.008 9 H 0.34915578785516 0.25000000000000 0.07188410239170 1.008 10 H 0.02571977958239 0.75000000000000 0.18774681563227 1.008 11 H 0.52571977958239 0.75000000000000 0.31225318436773 1.008 12 H 0.84915578785516 0.25000000000000 0.42811589760830 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.143166300000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405284300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.053973020000001 Atomic positions (fractional): 1 Yb 0.37998354112027 0.25000000000000 0.30537325225478 173.054 > 1 2 Yb 0.87998354112027 0.25000000000000 0.30537325225478 173.054 > 1 3 Yb 0.37998354112027 0.58333333333333 0.30537325225478 173.054 > 1 4 Yb 0.87998354112027 0.58333333333333 0.30537325225478 173.054 > 1 5 Yb 0.37998354112027 0.91666666666667 0.30537325225478 173.054 > 1 6 Yb 0.87998354112027 0.91666666666667 0.30537325225478 173.054 > 1 7 Yb 0.37998354112027 0.25000000000000 0.80537325225478 173.054 > 1 8 Yb 0.87998354112027 0.25000000000000 0.80537325225478 173.054 > 1 9 Yb 0.37998354112027 0.58333333333333 0.80537325225478 173.054 > 1 10 Yb 0.87998354112027 0.58333333333333 0.80537325225478 173.054 > 1 11 Yb 0.37998354112027 0.91666666666667 0.80537325225478 173.054 > 1 12 Yb 0.87998354112027 0.91666666666667 0.80537325225478 173.054 > 1 13 Yb 0.12998354112027 0.25000000000000 0.44462674774522 173.054 > 13 14 Yb 0.62998354112027 0.25000000000000 0.44462674774522 173.054 > 13 15 Yb 0.12998354112027 0.58333333333333 0.44462674774522 173.054 > 13 16 Yb 0.62998354112027 0.58333333333333 0.44462674774522 173.054 > 13 17 Yb 0.12998354112027 0.91666666666667 0.44462674774522 173.054 > 13 18 Yb 0.62998354112027 0.91666666666667 0.44462674774522 173.054 > 13 19 Yb 0.12998354112027 0.25000000000000 0.94462674774522 173.054 > 13 20 Yb 0.62998354112027 0.25000000000000 0.94462674774522 173.054 > 13 21 Yb 0.12998354112027 0.58333333333333 0.94462674774522 173.054 > 13 22 Yb 0.62998354112027 0.58333333333333 0.94462674774522 173.054 > 13 23 Yb 0.12998354112027 0.91666666666667 0.94462674774522 173.054 > 13 24 Yb 0.62998354112027 0.91666666666667 0.94462674774522 173.054 > 13 25 Yb 0.37001645887973 0.08333333333333 0.05537325225478 173.054 > 25 26 Yb 0.87001645887973 0.08333333333333 0.05537325225478 173.054 > 25 27 Yb 0.37001645887973 0.41666666666667 0.05537325225478 173.054 > 25 28 Yb 0.87001645887973 0.41666666666667 0.05537325225478 173.054 > 25 29 Yb 0.37001645887973 0.75000000000000 0.05537325225478 173.054 > 25 30 Yb 0.87001645887973 0.75000000000000 0.05537325225478 173.054 > 25 31 Yb 0.37001645887973 0.08333333333333 0.55537325225478 173.054 > 25 32 Yb 0.87001645887973 0.08333333333333 0.55537325225478 173.054 > 25 33 Yb 0.37001645887973 0.41666666666667 0.55537325225478 173.054 > 25 34 Yb 0.87001645887973 0.41666666666667 0.55537325225478 173.054 > 25 35 Yb 0.37001645887973 0.75000000000000 0.55537325225478 173.054 > 25 36 Yb 0.87001645887973 0.75000000000000 0.55537325225478 173.054 > 25 37 Yb 0.12001645887973 0.08333333333333 0.19462674774522 173.054 > 37 38 Yb 0.62001645887973 0.08333333333333 0.19462674774522 173.054 > 37 39 Yb 0.12001645887973 0.41666666666667 0.19462674774522 173.054 > 37 40 Yb 0.62001645887973 0.41666666666667 0.19462674774522 173.054 > 37 41 Yb 0.12001645887973 0.75000000000000 0.19462674774522 173.054 > 37 42 Yb 0.62001645887973 0.75000000000000 0.19462674774522 173.054 > 37 43 Yb 0.12001645887973 0.08333333333333 0.69462674774522 173.054 > 37 44 Yb 0.62001645887973 0.08333333333333 0.69462674774522 173.054 > 37 45 Yb 0.12001645887973 0.41666666666667 0.69462674774522 173.054 > 37 46 Yb 0.62001645887973 0.41666666666667 0.69462674774522 173.054 > 37 47 Yb 0.12001645887973 0.75000000000000 0.69462674774522 173.054 > 37 48 Yb 0.62001645887973 0.75000000000000 0.69462674774522 173.054 > 37 49 H 0.07542210607242 0.25000000000000 0.28594205119585 1.008 > 49 50 H 0.57542210607242 0.25000000000000 0.28594205119585 1.008 > 49 51 H 0.07542210607242 0.58333333333333 0.28594205119585 1.008 > 49 52 H 0.57542210607242 0.58333333333333 0.28594205119585 1.008 > 49 53 H 0.07542210607242 0.91666666666667 0.28594205119585 1.008 > 49 54 H 0.57542210607242 0.91666666666667 0.28594205119585 1.008 > 49 55 H 0.07542210607242 0.25000000000000 0.78594205119585 1.008 > 49 56 H 0.57542210607242 0.25000000000000 0.78594205119585 1.008 > 49 57 H 0.07542210607242 0.58333333333333 0.78594205119585 1.008 > 49 58 H 0.57542210607242 0.58333333333333 0.78594205119585 1.008 > 49 59 H 0.07542210607242 0.91666666666667 0.78594205119585 1.008 > 49 60 H 0.57542210607242 0.91666666666667 0.78594205119585 1.008 > 49 61 H 0.23714011020881 0.08333333333333 0.34387340781613 1.008 > 61 62 H 0.73714011020881 0.08333333333333 0.34387340781613 1.008 > 61 63 H 0.23714011020881 0.41666666666667 0.34387340781613 1.008 > 61 64 H 0.73714011020881 0.41666666666667 0.34387340781613 1.008 > 61 65 H 0.23714011020881 0.75000000000000 0.34387340781613 1.008 > 61 66 H 0.73714011020881 0.75000000000000 0.34387340781613 1.008 > 61 67 H 0.23714011020881 0.08333333333333 0.84387340781613 1.008 > 61 68 H 0.73714011020881 0.08333333333333 0.84387340781613 1.008 > 61 69 H 0.23714011020881 0.41666666666667 0.84387340781613 1.008 > 61 70 H 0.73714011020881 0.41666666666667 0.84387340781613 1.008 > 61 71 H 0.23714011020881 0.75000000000000 0.84387340781613 1.008 > 61 72 H 0.73714011020881 0.75000000000000 0.84387340781613 1.008 > 61 73 H 0.48714011020881 0.08333333333333 0.40612659218387 1.008 > 73 74 H 0.98714011020881 0.08333333333333 0.40612659218387 1.008 > 73 75 H 0.48714011020881 0.41666666666667 0.40612659218387 1.008 > 73 76 H 0.98714011020881 0.41666666666667 0.40612659218387 1.008 > 73 77 H 0.48714011020881 0.75000000000000 0.40612659218387 1.008 > 73 78 H 0.98714011020881 0.75000000000000 0.40612659218387 1.008 > 73 79 H 0.48714011020881 0.08333333333333 0.90612659218387 1.008 > 73 80 H 0.98714011020881 0.08333333333333 0.90612659218387 1.008 > 73 81 H 0.48714011020881 0.41666666666667 0.90612659218387 1.008 > 73 82 H 0.98714011020881 0.41666666666667 0.90612659218387 1.008 > 73 83 H 0.48714011020881 0.75000000000000 0.90612659218387 1.008 > 73 84 H 0.98714011020881 0.75000000000000 0.90612659218387 1.008 > 73 85 H 0.32542210607242 0.25000000000000 0.46405794880415 1.008 > 85 86 H 0.82542210607242 0.25000000000000 0.46405794880415 1.008 > 85 87 H 0.32542210607242 0.58333333333333 0.46405794880415 1.008 > 85 88 H 0.82542210607242 0.58333333333333 0.46405794880415 1.008 > 85 89 H 0.32542210607242 0.91666666666667 0.46405794880415 1.008 > 85 90 H 0.82542210607242 0.91666666666667 0.46405794880415 1.008 > 85 91 H 0.32542210607242 0.25000000000000 0.96405794880415 1.008 > 85 92 H 0.82542210607242 0.25000000000000 0.96405794880415 1.008 > 85 93 H 0.32542210607242 0.58333333333333 0.96405794880415 1.008 > 85 94 H 0.82542210607242 0.58333333333333 0.96405794880415 1.008 > 85 95 H 0.32542210607242 0.91666666666667 0.96405794880415 1.008 > 85 96 H 0.82542210607242 0.91666666666667 0.96405794880415 1.008 > 85 97 H 0.17457789392758 0.08333333333333 0.03594205119585 1.008 > 97 98 H 0.67457789392758 0.08333333333333 0.03594205119585 1.008 > 97 99 H 0.17457789392758 0.41666666666667 0.03594205119585 1.008 > 97 100 H 0.67457789392758 0.41666666666667 0.03594205119585 1.008 > 97 101 H 0.17457789392758 0.75000000000000 0.03594205119585 1.008 > 97 102 H 0.67457789392758 0.75000000000000 0.03594205119585 1.008 > 97 103 H 0.17457789392758 0.08333333333333 0.53594205119585 1.008 > 97 104 H 0.67457789392758 0.08333333333333 0.53594205119585 1.008 > 97 105 H 0.17457789392758 0.41666666666667 0.53594205119585 1.008 > 97 106 H 0.67457789392758 0.41666666666667 0.53594205119585 1.008 > 97 107 H 0.17457789392758 0.75000000000000 0.53594205119585 1.008 > 97 108 H 0.67457789392758 0.75000000000000 0.53594205119585 1.008 > 97 109 H 0.01285988979119 0.25000000000000 0.09387340781613 1.008 > 109 110 H 0.51285988979119 0.25000000000000 0.09387340781613 1.008 > 109 111 H 0.01285988979119 0.58333333333333 0.09387340781613 1.008 > 109 112 H 0.51285988979119 0.58333333333333 0.09387340781613 1.008 > 109 113 H 0.01285988979119 0.91666666666667 0.09387340781613 1.008 > 109 114 H 0.51285988979119 0.91666666666667 0.09387340781613 1.008 > 109 115 H 0.01285988979119 0.25000000000000 0.59387340781613 1.008 > 109 116 H 0.51285988979119 0.25000000000000 0.59387340781613 1.008 > 109 117 H 0.01285988979119 0.58333333333333 0.59387340781613 1.008 > 109 118 H 0.51285988979119 0.58333333333333 0.59387340781613 1.008 > 109 119 H 0.01285988979119 0.91666666666667 0.59387340781613 1.008 > 109 120 H 0.51285988979119 0.91666666666667 0.59387340781613 1.008 > 109 121 H 0.26285988979119 0.25000000000000 0.15612659218387 1.008 > 121 122 H 0.76285988979119 0.25000000000000 0.15612659218387 1.008 > 121 123 H 0.26285988979119 0.58333333333333 0.15612659218387 1.008 > 121 124 H 0.76285988979119 0.58333333333333 0.15612659218387 1.008 > 121 125 H 0.26285988979119 0.91666666666667 0.15612659218387 1.008 > 121 126 H 0.76285988979119 0.91666666666667 0.15612659218387 1.008 > 121 127 H 0.26285988979119 0.25000000000000 0.65612659218387 1.008 > 121 128 H 0.76285988979119 0.25000000000000 0.65612659218387 1.008 > 121 129 H 0.26285988979119 0.58333333333333 0.65612659218387 1.008 > 121 130 H 0.76285988979119 0.58333333333333 0.65612659218387 1.008 > 121 131 H 0.26285988979119 0.91666666666667 0.65612659218387 1.008 > 121 132 H 0.76285988979119 0.91666666666667 0.65612659218387 1.008 > 121 133 H 0.42457789392758 0.08333333333333 0.21405794880415 1.008 > 133 134 H 0.92457789392758 0.08333333333333 0.21405794880415 1.008 > 133 135 H 0.42457789392758 0.41666666666667 0.21405794880415 1.008 > 133 136 H 0.92457789392758 0.41666666666667 0.21405794880415 1.008 > 133 137 H 0.42457789392758 0.75000000000000 0.21405794880415 1.008 > 133 138 H 0.92457789392758 0.75000000000000 0.21405794880415 1.008 > 133 139 H 0.42457789392758 0.08333333333333 0.71405794880415 1.008 > 133 140 H 0.92457789392758 0.08333333333333 0.71405794880415 1.008 > 133 141 H 0.42457789392758 0.41666666666667 0.71405794880415 1.008 > 133 142 H 0.92457789392758 0.41666666666667 0.71405794880415 1.008 > 133 143 H 0.42457789392758 0.75000000000000 0.71405794880415 1.008 > 133 144 H 0.92457789392758 0.75000000000000 0.71405794880415 1.008 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8217765 0.0000000 0.0000000 0.0000000 4.6709715 0.0000000 0.0000000 0.0000000 5.0621759 -------------------------- Born effective charges -------------------------- 1 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 2 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 3 Yb 1.8157141 0.0000000 -0.0080890 0.0000000 1.7872910 0.0000000 0.1326255 0.0000000 1.9251617 4 Yb 1.8157141 0.0000000 0.0080890 0.0000000 1.7872910 0.0000000 -0.1326255 0.0000000 1.9251617 5 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 6 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 7 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 8 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 9 H -0.9312808 0.0000000 -0.0312815 0.0000000 -0.8163246 0.0000000 -0.0260332 0.0000000 -0.9533605 10 H -0.8844332 0.0000000 -0.0098675 0.0000000 -0.9709664 0.0000000 -0.0569369 0.0000000 -0.9718012 11 H -0.8844332 0.0000000 0.0098675 0.0000000 -0.9709664 0.0000000 0.0569369 0.0000000 -0.9718012 12 H -0.9312808 0.0000000 0.0312815 0.0000000 -0.8163246 0.0000000 0.0260332 0.0000000 -0.9533605 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 14 8 ] 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: 0.83, Number of G-points: 295, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/200) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 23.489 ( 0.000 0.000 0.000) 0.000 23.620 ( 0.000 0.000 0.000) 0.000 23.780 ( 0.000 0.000 0.000) 0.000 23.830 ( 0.000 0.000 0.000) 0.000 24.337 ( 0.000 0.000 0.000) 0.000 24.775 ( 0.000 0.000 0.000) 0.000 25.437 ( 0.000 0.000 0.000) 0.000 25.826 ( 0.000 0.000 0.000) 0.000 26.019 ( 0.000 0.000 0.000) 0.000 26.860 ( 0.000 0.000 0.000) 0.000 29.037 ( 0.000 0.000 0.000) 0.000 30.703 ( 0.000 0.000 0.000) 0.000 31.305 ( 0.000 0.000 0.000) 0.000 31.380 ( 0.000 0.000 0.000) 0.000 33.326 ( 0.000 0.000 0.000) 0.000 34.115 ( 0.000 0.000 0.000) 0.000 34.465 ( 0.000 0.000 0.000) 0.000 35.121 ( 0.000 0.000 0.000) 0.000 36.134 ( 0.000 0.000 0.000) 0.000 36.458 ( 0.000 0.000 0.000) 0.000 36.953 ( 0.000 0.000 0.000) 0.000 37.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/200) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 20.847 0.000 0.000) 20.847 0.438 ( 21.737 0.000 0.000) 21.737 0.571 ( 28.369 0.000 0.000) 28.369 2.228 ( 2.129 0.000 0.000) 2.129 2.303 ( -3.161 0.000 0.000) 3.161 2.504 ( -3.373 0.000 0.000) 3.373 2.806 ( -10.783 0.000 0.000) 10.783 2.900 ( -1.629 0.000 0.000) 1.629 2.980 ( -8.552 0.000 0.000) 8.552 3.688 ( 7.221 0.000 0.000) 7.221 3.909 ( 5.999 0.000 0.000) 5.999 4.062 ( -6.873 0.000 0.000) 6.873 21.108 ( 2.016 0.000 0.000) 2.016 22.090 ( -6.001 0.000 0.000) 6.001 23.518 ( 2.825 0.000 0.000) 2.825 23.598 ( -2.097 0.000 0.000) 2.097 23.793 ( -3.535 0.000 0.000) 3.535 24.357 ( 2.065 0.000 0.000) 2.065 24.809 ( 3.389 0.000 0.000) 3.389 25.391 ( -4.543 0.000 0.000) 4.543 25.582 ( -23.550 0.000 0.000) 23.550 25.901 ( -5.587 0.000 0.000) 5.587 27.141 ( 21.180 0.000 0.000) 21.180 27.892 ( 4.242 0.000 0.000) 4.242 30.714 ( 1.147 0.000 0.000) 1.147 31.270 ( -3.384 0.000 0.000) 3.384 31.494 ( 11.002 0.000 0.000) 11.002 33.253 ( -1.038 0.000 0.000) 1.038 33.345 ( 1.865 0.000 0.000) 1.865 34.045 ( -5.853 0.000 0.000) 5.853 34.533 ( 5.711 0.000 0.000) 5.711 35.111 ( -0.996 0.000 0.000) 0.996 36.135 ( 0.067 0.000 0.000) 0.067 36.426 ( -2.913 0.000 0.000) 2.913 37.003 ( 4.727 0.000 0.000) 4.727 37.815 ( -1.184 0.000 0.000) 1.184 ======================= Grid point 2 (3/200) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 19.360 0.000 0.000) 19.360 0.863 ( 20.776 0.000 0.000) 20.776 1.123 ( 26.625 0.000 0.000) 26.625 2.212 ( -5.734 0.000 0.000) 5.734 2.273 ( 0.910 0.000 0.000) 0.910 2.419 ( -3.785 0.000 0.000) 3.785 2.567 ( -12.155 0.000 0.000) 12.155 2.785 ( -9.944 0.000 0.000) 9.944 2.852 ( -3.206 0.000 0.000) 3.206 3.736 ( -8.541 0.000 0.000) 8.541 3.960 ( 2.232 0.000 0.000) 2.232 4.038 ( 6.187 0.000 0.000) 6.187 21.167 ( 3.872 0.000 0.000) 3.872 21.932 ( -9.338 0.000 0.000) 9.338 23.544 ( -3.042 0.000 0.000) 3.042 23.597 ( 5.058 0.000 0.000) 5.058 23.699 ( -5.572 0.000 0.000) 5.572 24.420 ( 4.294 0.000 0.000) 4.294 24.907 ( 6.345 0.000 0.000) 6.345 25.061 ( -26.409 0.000 0.000) 26.409 25.263 ( -8.084 0.000 0.000) 8.084 25.782 ( -6.863 0.000 0.000) 6.863 27.555 ( 19.061 0.000 0.000) 19.061 27.999 ( 5.983 0.000 0.000) 5.983 30.750 ( 2.499 0.000 0.000) 2.499 31.180 ( -5.297 0.000 0.000) 5.297 31.792 ( 18.136 0.000 0.000) 18.136 33.210 ( -3.606 0.000 0.000) 3.606 33.397 ( 3.298 0.000 0.000) 3.298 33.915 ( -6.757 0.000 0.000) 6.757 34.659 ( 6.457 0.000 0.000) 6.457 35.082 ( -1.925 0.000 0.000) 1.925 36.138 ( 0.349 0.000 0.000) 0.349 36.356 ( -3.784 0.000 0.000) 3.784 37.126 ( 7.280 0.000 0.000) 7.280 37.777 ( -2.710 0.000 0.000) 2.710 ======================= Grid point 3 (4/200) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 16.803 0.000 0.000) 16.803 1.262 ( 19.158 0.000 0.000) 19.158 1.591 ( 17.739 0.000 0.000) 17.739 2.105 ( -3.129 0.000 0.000) 3.129 2.172 ( -9.859 0.000 0.000) 9.859 2.352 ( -8.837 0.000 0.000) 8.837 2.441 ( 4.734 0.000 0.000) 4.734 2.621 ( -5.312 0.000 0.000) 5.312 2.773 ( -4.618 0.000 0.000) 4.618 3.427 ( -19.292 0.000 0.000) 19.292 4.068 ( 5.726 0.000 0.000) 5.726 4.139 ( 3.744 0.000 0.000) 3.744 21.261 ( 5.560 0.000 0.000) 5.560 21.737 ( -9.886 0.000 0.000) 9.886 23.489 ( -2.227 0.000 0.000) 2.227 23.587 ( -5.341 0.000 0.000) 5.341 23.721 ( 7.558 0.000 0.000) 7.558 24.530 ( 6.671 0.000 0.000) 6.671 24.571 ( -22.251 0.000 0.000) 22.251 25.057 ( 8.540 0.000 0.000) 8.540 25.079 ( -9.990 0.000 0.000) 9.990 25.625 ( -8.791 0.000 0.000) 8.791 27.878 ( 13.125 0.000 0.000) 13.125 28.106 ( 4.176 0.000 0.000) 4.176 30.810 ( 3.364 0.000 0.000) 3.364 31.070 ( -5.473 0.000 0.000) 5.473 32.183 ( 20.240 0.000 0.000) 20.240 33.097 ( -7.978 0.000 0.000) 7.978 33.473 ( 4.214 0.000 0.000) 4.214 33.784 ( -6.261 0.000 0.000) 6.261 34.781 ( 5.752 0.000 0.000) 5.752 35.035 ( -2.802 0.000 0.000) 2.802 36.150 ( 0.932 0.000 0.000) 0.932 36.283 ( -3.461 0.000 0.000) 3.461 37.283 ( 8.223 0.000 0.000) 8.223 37.704 ( -4.626 0.000 0.000) 4.626 ======================= Grid point 4 (5/200) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 13.060 0.000 0.000) 13.060 1.622 ( 16.886 0.000 0.000) 16.886 1.691 ( -6.070 0.000 0.000) 6.070 1.931 ( -13.958 0.000 0.000) 13.958 2.158 ( 4.846 0.000 0.000) 4.846 2.227 ( -3.853 0.000 0.000) 3.853 2.553 ( 5.973 0.000 0.000) 5.973 2.660 ( 11.414 0.000 0.000) 11.414 2.670 ( -5.650 0.000 0.000) 5.650 3.015 ( -21.045 0.000 0.000) 21.045 4.157 ( 2.926 0.000 0.000) 2.926 4.182 ( 0.464 0.000 0.000) 0.464 21.389 ( 7.206 0.000 0.000) 7.206 21.549 ( -8.814 0.000 0.000) 8.814 23.466 ( 0.161 0.000 0.000) 0.161 23.499 ( -3.149 0.000 0.000) 3.149 23.907 ( 11.337 0.000 0.000) 11.337 24.183 ( -16.549 0.000 0.000) 16.549 24.685 ( 8.825 0.000 0.000) 8.825 24.876 ( -10.132 0.000 0.000) 10.132 25.241 ( 9.734 0.000 0.000) 9.734 25.438 ( -9.811 0.000 0.000) 9.811 28.076 ( 6.667 0.000 0.000) 6.667 28.146 ( -0.528 0.000 0.000) 0.528 30.882 ( 3.934 0.000 0.000) 3.934 30.968 ( -4.706 0.000 0.000) 4.706 32.570 ( 18.016 0.000 0.000) 18.016 32.885 ( -13.286 0.000 0.000) 13.286 33.564 ( 4.861 0.000 0.000) 4.861 33.667 ( -5.522 0.000 0.000) 5.522 34.886 ( 4.721 0.000 0.000) 4.721 34.970 ( -3.712 0.000 0.000) 3.712 36.177 ( 1.755 0.000 0.000) 1.755 36.221 ( -2.669 0.000 0.000) 2.669 37.446 ( 7.918 0.000 0.000) 7.918 37.592 ( -6.563 0.000 0.000) 6.563 ======================= Grid point 9 (6/200) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 21.422 0.000) 21.422 0.451 ( 0.000 21.685 0.000) 21.685 0.713 ( 0.000 33.773 0.000) 33.773 2.270 ( 0.000 5.992 0.000) 5.992 2.357 ( 0.000 2.234 0.000) 2.234 2.611 ( 0.000 6.754 0.000) 6.754 2.936 ( 0.000 0.418 0.000) 0.418 2.986 ( 0.000 6.552 0.000) 6.552 3.070 ( 0.000 -0.619 0.000) 0.619 3.581 ( 0.000 -1.423 0.000) 1.423 3.786 ( 0.000 -2.821 0.000) 2.821 4.115 ( 0.000 -1.952 0.000) 1.952 21.103 ( 0.000 1.551 0.000) 1.551 22.170 ( 0.000 2.481 0.000) 2.481 23.441 ( 0.000 -4.563 0.000) 4.563 23.795 ( 0.000 1.422 0.000) 1.422 23.828 ( 0.000 -0.197 0.000) 0.197 24.370 ( 0.000 3.466 0.000) 3.466 24.803 ( 0.000 2.692 0.000) 2.692 25.085 ( 0.000 -24.924 0.000) 24.924 25.854 ( 0.000 2.432 0.000) 2.432 26.263 ( 0.000 14.280 0.000) 14.280 26.688 ( 0.000 -16.225 0.000) 16.225 29.079 ( 0.000 3.975 0.000) 3.975 29.236 ( 0.000 -4.847 0.000) 4.847 30.672 ( 0.000 -2.855 0.000) 2.855 31.209 ( 0.000 -15.006 0.000) 15.006 31.260 ( 0.000 -4.304 0.000) 4.304 33.405 ( 0.000 7.319 0.000) 7.319 34.160 ( 0.000 4.329 0.000) 4.329 35.211 ( 0.000 7.660 0.000) 7.660 36.115 ( 0.000 -1.798 0.000) 1.798 36.441 ( 0.000 -1.475 0.000) 1.475 36.914 ( 0.000 -3.674 0.000) 3.674 37.031 ( 0.000 -2.304 0.000) 2.304 37.647 ( 0.000 -6.824 0.000) 6.824 ======================= Grid point 10 (7/200) ======================= q-point: ( 0.11 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 9.166 13.165 0.000) 16.042 0.607 ( 14.117 15.202 0.000) 20.746 0.998 ( 20.641 27.003 0.000) 33.989 2.294 ( 2.240 6.112 0.000) 6.510 2.323 ( -3.244 2.164 0.000) 3.900 2.574 ( -3.706 6.428 0.000) 7.420 2.811 ( -10.540 0.616 0.000) 10.558 2.927 ( -7.057 0.648 0.000) 7.087 3.011 ( -3.280 4.993 0.000) 5.974 3.672 ( 7.088 -1.514 0.000) 7.248 3.872 ( 6.751 -3.135 0.000) 7.443 4.045 ( -6.540 -1.641 0.000) 6.743 21.125 ( 2.183 1.705 0.000) 2.769 22.117 ( -5.326 2.607 0.000) 5.930 23.314 ( -3.480 -5.521 0.000) 6.527 23.791 ( -3.621 -0.291 0.000) 3.633 23.868 ( 0.593 7.103 0.000) 7.128 24.379 ( 1.175 2.438 0.000) 2.707 24.842 ( 3.690 3.083 0.000) 4.808 24.990 ( -9.336 -24.744 0.000) 26.447 25.804 ( -7.269 8.059 0.000) 10.853 25.953 ( -17.679 3.696 0.000) 18.062 27.006 ( 20.883 -12.330 0.000) 24.252 28.068 ( -18.727 11.000 0.000) 21.718 30.688 ( 1.679 -2.313 0.000) 2.858 30.893 ( 32.804 -46.171 0.000) 56.638 31.325 ( 11.092 -14.841 0.000) 18.528 31.506 ( 39.661 -28.557 0.000) 48.873 33.425 ( 1.952 7.363 0.000) 7.617 34.149 ( -1.301 4.518 0.000) 4.701 35.206 ( -0.479 8.107 0.000) 8.121 36.097 ( -9.100 6.501 0.000) 11.183 36.210 ( -39.773 40.829 0.000) 56.999 36.410 ( -2.859 -1.436 0.000) 3.199 36.963 ( 4.568 -3.817 0.000) 5.953 37.704 ( 0.695 -9.478 0.000) 9.504 ======================= Grid point 11 (8/200) ======================= q-point: ( 0.22 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 19.570 -0.411 0.000) 19.574 0.925 ( 16.742 9.229 0.000) 19.117 1.429 ( 21.593 21.750 0.000) 30.648 2.232 ( -5.722 2.016 0.000) 6.067 2.340 ( 0.779 6.237 0.000) 6.286 2.468 ( -6.259 3.730 0.000) 7.287 2.592 ( -9.616 3.148 0.000) 10.118 2.746 ( -9.556 -2.269 0.000) 9.822 2.950 ( -3.351 7.917 0.000) 8.597 3.720 ( -7.854 -1.472 0.000) 7.990 3.949 ( 1.979 -1.076 0.000) 2.253 4.009 ( 6.393 -2.721 0.000) 6.948 21.189 ( 4.198 2.164 0.000) 4.723 21.971 ( -8.825 3.632 0.000) 9.544 23.321 ( 2.799 -8.836 0.000) 9.268 23.694 ( -5.772 -0.589 0.000) 5.802 23.830 ( -2.903 8.814 0.000) 9.280 24.418 ( 2.798 0.098 0.000) 2.799 24.731 ( -15.844 -21.393 0.000) 26.621 24.947 ( 6.743 3.725 0.000) 7.704 25.482 ( -18.654 9.914 0.000) 21.125 25.774 ( -6.007 -0.248 0.000) 6.012 27.393 ( 17.342 -15.291 0.000) 23.121 27.939 ( 0.153 -5.832 0.000) 5.834 30.737 ( 3.095 -1.146 0.000) 3.301 31.030 ( -1.369 -14.439 0.000) 14.504 31.622 ( 17.844 -14.786 0.000) 23.174 32.259 ( 25.169 -46.144 0.000) 52.562 33.481 ( 3.576 7.561 0.000) 8.364 34.094 ( -4.485 6.366 0.000) 7.787 35.192 ( -0.842 9.470 0.000) 9.507 35.500 ( -21.298 47.885 0.000) 52.408 36.126 ( 0.307 -0.965 0.000) 1.013 36.342 ( -3.685 -1.306 0.000) 3.909 37.081 ( 6.960 -4.274 0.000) 8.167 37.686 ( -2.135 -8.434 0.000) 8.700 ======================= Grid point 12 (9/200) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 19.827 -3.809 0.000) 20.190 1.249 ( 15.265 5.804 0.000) 16.331 1.802 ( 12.456 16.112 0.000) 20.365 2.132 ( -1.682 2.722 0.000) 3.200 2.215 ( -11.088 3.281 0.000) 11.563 2.352 ( -6.867 1.661 0.000) 7.065 2.537 ( 3.815 7.876 0.000) 8.751 2.592 ( -4.394 -1.674 0.000) 4.702 2.871 ( -4.606 8.283 0.000) 9.477 3.429 ( -18.306 0.245 0.000) 18.308 4.052 ( 5.519 -1.594 0.000) 5.744 4.113 ( 3.863 -2.463 0.000) 4.582 21.291 ( 5.987 2.879 0.000) 6.643 21.782 ( -9.745 4.321 0.000) 10.660 23.385 ( 2.871 -6.818 0.000) 7.398 23.576 ( -5.648 -1.072 0.000) 5.749 23.801 ( 0.961 4.015 0.000) 4.128 24.399 ( -16.548 -14.639 0.000) 22.094 24.497 ( 5.394 -2.681 0.000) 6.023 25.103 ( 8.715 4.283 0.000) 9.710 25.139 ( -15.653 2.924 0.000) 15.924 25.639 ( -7.658 2.071 0.000) 7.933 27.688 ( 12.173 -17.987 0.000) 21.719 27.968 ( 1.468 -13.256 0.000) 13.337 30.804 ( 3.413 -0.423 0.000) 3.439 30.983 ( -2.825 -7.687 0.000) 8.190 31.998 ( 18.840 -15.723 0.000) 24.539 32.551 ( 6.046 -33.627 0.000) 34.166 33.566 ( 4.928 8.100 0.000) 9.482 33.972 ( -7.367 9.245 0.000) 11.822 35.174 ( -0.947 11.895 0.000) 11.932 35.237 ( -6.995 33.401 0.000) 34.126 36.139 ( 0.979 -1.057 0.000) 1.441 36.270 ( -3.368 -1.136 0.000) 3.554 37.230 ( 7.788 -5.001 0.000) 9.255 37.623 ( -4.179 -7.630 0.000) 8.700 ======================= Grid point 13 (10/200) ======================= q-point: ( 0.44 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 10.489 2.482 0.000) 10.779 1.530 ( 12.526 -4.203 0.000) 13.213 1.836 ( -2.460 9.210 0.000) 9.533 1.971 ( -12.711 3.625 0.000) 13.218 2.197 ( 2.813 3.350 0.000) 4.374 2.240 ( -3.473 1.703 0.000) 3.868 2.643 ( 5.876 8.091 0.000) 10.000 2.664 ( 11.874 2.569 0.000) 12.149 2.773 ( -4.072 7.925 0.000) 8.910 3.038 ( -20.080 2.305 0.000) 20.212 4.136 ( 2.770 -1.947 0.000) 3.386 4.158 ( 0.591 -2.227 0.000) 2.304 21.427 ( 7.608 3.680 0.000) 8.452 21.593 ( -9.023 4.273 0.000) 9.984 23.429 ( 1.921 -3.201 0.000) 3.733 23.481 ( -3.656 -1.703 0.000) 4.033 23.888 ( 7.767 -2.642 0.000) 8.204 24.099 ( -13.091 -8.293 0.000) 15.497 24.640 ( 9.028 -3.970 0.000) 9.863 24.857 ( -12.611 -2.194 0.000) 12.801 25.286 ( 9.418 4.313 0.000) 10.358 25.471 ( -8.996 3.574 0.000) 9.680 27.878 ( 6.944 -18.690 0.000) 19.938 27.967 ( -1.999 -17.125 0.000) 17.242 30.868 ( 3.039 -1.048 0.000) 3.214 30.926 ( -2.816 -3.469 0.000) 4.468 32.338 ( 14.424 -18.643 0.000) 23.571 32.546 ( -5.902 -24.384 0.000) 25.088 33.678 ( 6.347 9.111 0.000) 11.104 33.819 ( -7.642 10.040 0.000) 12.618 35.158 ( -0.496 15.854 0.000) 15.862 35.163 ( -1.366 22.447 0.000) 22.489 36.166 ( 1.777 -1.003 0.000) 2.040 36.210 ( -2.629 -1.018 0.000) 2.819 37.384 ( 7.435 -5.885 0.000) 9.482 37.520 ( -6.093 -6.791 0.000) 9.124 ======================= Grid point 18 (11/200) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 21.055 0.000) 21.055 0.889 ( 0.000 20.714 0.000) 20.714 1.368 ( 0.000 29.010 0.000) 29.010 2.434 ( 0.000 9.348 0.000) 9.348 2.439 ( 0.000 6.246 0.000) 6.246 2.791 ( 0.000 9.597 0.000) 9.597 2.959 ( 0.000 2.452 0.000) 2.452 3.051 ( 0.000 -1.326 0.000) 1.326 3.169 ( 0.000 10.562 0.000) 10.562 3.541 ( 0.000 -2.281 0.000) 2.281 3.703 ( 0.000 -5.018 0.000) 5.018 4.056 ( 0.000 -3.686 0.000) 3.686 21.154 ( 0.000 3.453 0.000) 3.453 22.233 ( 0.000 3.292 0.000) 3.292 23.309 ( 0.000 -7.936 0.000) 7.936 23.821 ( 0.000 -0.604 0.000) 0.604 23.840 ( 0.000 3.087 0.000) 3.087 24.495 ( 0.000 8.975 0.000) 8.975 24.571 ( 0.000 -23.604 0.000) 23.604 24.880 ( 0.000 4.525 0.000) 4.525 25.879 ( 0.000 -3.728 0.000) 3.728 26.251 ( 0.000 -22.025 0.000) 22.025 26.437 ( 0.000 1.160 0.000) 1.160 29.077 ( 0.000 -10.806 0.000) 10.806 29.193 ( 0.000 6.817 0.000) 6.817 30.597 ( 0.000 -4.121 0.000) 4.121 30.856 ( 0.000 -16.952 0.000) 16.952 31.135 ( 0.000 -7.560 0.000) 7.560 33.602 ( 0.000 11.095 0.000) 11.095 34.290 ( 0.000 8.160 0.000) 8.160 35.375 ( 0.000 6.787 0.000) 6.787 36.062 ( 0.000 -3.267 0.000) 3.267 36.408 ( 0.000 -1.442 0.000) 1.442 36.810 ( 0.000 -6.122 0.000) 6.122 36.960 ( 0.000 -4.574 0.000) 4.574 37.448 ( 0.000 -12.200 0.000) 12.200 ======================= Grid point 19 (12/200) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.158 19.216 0.000) 19.337 0.966 ( 8.149 18.718 0.000) 20.415 1.559 ( 15.588 26.063 0.000) 30.369 2.405 ( -3.379 6.268 0.000) 7.121 2.461 ( 2.555 9.557 0.000) 9.892 2.729 ( -6.999 6.464 0.000) 9.527 2.855 ( -7.654 5.202 0.000) 9.255 2.913 ( -10.401 -1.445 0.000) 10.501 3.186 ( -0.102 10.937 0.000) 10.938 3.630 ( 6.690 -2.461 0.000) 7.128 3.785 ( 6.870 -5.261 0.000) 8.653 3.996 ( -5.473 -2.985 0.000) 6.235 21.180 ( 2.593 3.675 0.000) 4.498 22.188 ( -4.316 3.907 0.000) 5.821 23.229 ( -4.523 -4.167 0.000) 6.150 23.779 ( -4.057 -1.002 0.000) 4.179 23.914 ( 3.433 -0.246 0.000) 3.442 24.475 ( -1.564 7.235 0.000) 7.403 24.484 ( -8.256 -23.432 0.000) 24.844 24.931 ( 4.688 5.334 0.000) 7.101 25.811 ( -9.596 -11.666 0.000) 15.106 25.996 ( -12.106 2.891 0.000) 12.446 26.692 ( 14.883 -16.674 0.000) 22.350 28.207 ( -33.708 1.741 0.000) 33.753 30.194 ( 41.790 -19.689 0.000) 46.196 30.629 ( 3.157 -3.115 0.000) 4.435 30.974 ( 11.346 -16.950 0.000) 20.397 31.248 ( 12.903 -8.830 0.000) 15.635 33.622 ( 1.980 11.071 0.000) 11.247 34.281 ( -1.005 8.180 0.000) 8.242 35.381 ( 0.590 7.320 0.000) 7.344 36.062 ( -0.065 -3.085 0.000) 3.085 36.376 ( -2.803 -1.469 0.000) 3.165 36.689 ( -22.483 8.532 0.000) 24.047 36.855 ( 4.156 -6.331 0.000) 7.573 37.462 ( 0.424 -13.582 0.000) 13.589 ======================= Grid point 20 (13/200) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 9.489 10.448 0.000) 14.114 1.174 ( 11.918 14.210 0.000) 18.546 1.900 ( 17.357 22.311 0.000) 28.267 2.307 ( -6.261 5.801 0.000) 8.535 2.497 ( -6.599 5.568 0.000) 8.634 2.538 ( -4.212 5.960 0.000) 7.299 2.705 ( -9.423 -1.475 0.000) 9.538 2.727 ( -4.668 9.262 0.000) 10.372 3.157 ( -2.655 11.772 0.000) 12.068 3.679 ( -5.893 -2.338 0.000) 6.340 3.919 ( 1.472 -1.665 0.000) 2.223 3.928 ( 6.749 -5.070 0.000) 8.441 21.256 ( 5.016 4.354 0.000) 6.642 22.070 ( -7.270 5.638 0.000) 9.200 23.197 ( 1.419 -4.026 0.000) 4.269 23.670 ( -6.495 -2.001 0.000) 6.796 23.906 ( -3.727 -0.809 0.000) 3.814 24.272 ( -12.089 -22.260 0.000) 25.331 24.445 ( -1.231 3.019 0.000) 3.260 25.055 ( 7.580 6.512 0.000) 9.992 25.483 ( -19.526 -10.508 0.000) 22.174 25.858 ( -5.066 8.068 0.000) 9.527 26.963 ( 12.216 -25.158 0.000) 27.967 27.761 ( -13.377 -11.396 0.000) 17.573 30.684 ( 11.342 -15.319 0.000) 19.061 30.712 ( 4.720 -1.104 0.000) 4.848 31.275 ( 17.720 -17.001 0.000) 24.557 31.641 ( 22.055 -18.489 0.000) 28.780 33.679 ( 3.747 11.058 0.000) 11.676 34.243 ( -3.001 8.508 0.000) 9.022 35.400 ( 1.312 8.904 0.000) 9.000 36.046 ( -3.165 0.296 0.000) 3.179 36.245 ( -17.934 18.205 0.000) 25.555 36.310 ( -3.525 -1.409 0.000) 3.796 36.960 ( 6.079 -7.104 0.000) 9.350 37.452 ( -1.392 -13.651 0.000) 13.721 ======================= Grid point 21 (14/200) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 16.049 2.302 0.000) 16.213 1.413 ( 11.231 9.645 0.000) 14.804 2.136 ( -2.957 13.021 0.000) 13.352 2.230 ( 5.831 7.730 0.000) 9.682 2.265 ( -11.413 1.720 0.000) 11.542 2.455 ( -7.970 7.630 0.000) 11.034 2.590 ( 0.555 2.998 0.000) 3.049 2.734 ( 4.799 10.693 0.000) 11.720 3.084 ( -4.515 11.981 0.000) 12.803 3.443 ( -15.132 1.328 0.000) 15.190 4.007 ( 4.854 -2.613 0.000) 5.513 4.040 ( 4.226 -4.629 0.000) 6.268 21.378 ( 7.089 5.454 0.000) 8.945 21.905 ( -9.082 7.248 0.000) 11.620 23.265 ( 4.610 -4.683 0.000) 6.571 23.538 ( -6.249 -2.850 0.000) 6.868 23.811 ( -4.599 -3.364 0.000) 5.698 24.034 ( -11.137 -19.570 0.000) 22.517 24.444 ( 1.793 -1.965 0.000) 2.660 25.097 ( -18.497 -7.890 0.000) 20.110 25.225 ( 9.282 7.312 0.000) 11.816 25.744 ( -6.603 7.903 0.000) 10.299 27.180 ( 9.624 -29.779 0.000) 31.296 27.585 ( -6.021 -22.953 0.000) 23.730 30.801 ( 3.875 0.341 0.000) 3.890 30.815 ( 3.713 -7.090 0.000) 8.003 31.637 ( 17.559 -17.497 0.000) 24.788 31.981 ( 10.886 -21.646 0.000) 24.230 33.770 ( 5.317 11.120 0.000) 12.326 34.157 ( -5.553 9.448 0.000) 10.959 35.436 ( 2.410 11.491 0.000) 11.741 35.830 ( -13.160 20.291 0.000) 24.185 36.120 ( 0.139 0.441 0.000) 0.462 36.242 ( -3.206 -1.274 0.000) 3.449 37.088 ( 6.578 -8.391 0.000) 10.662 37.407 ( -3.154 -12.802 0.000) 13.185 ======================= Grid point 22 (15/200) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 12.892 -1.139 0.000) 12.942 1.578 ( 3.463 3.431 0.000) 4.875 2.036 ( -3.365 10.088 0.000) 10.635 2.072 ( -7.186 6.070 0.000) 9.406 2.265 ( -1.011 2.535 0.000) 2.729 2.301 ( -5.525 3.859 0.000) 6.739 2.784 ( 15.490 9.368 0.000) 18.103 2.853 ( 6.421 11.587 0.000) 13.247 2.980 ( -5.805 11.694 0.000) 13.055 3.118 ( -16.896 5.777 0.000) 17.856 4.080 ( 2.249 -3.411 0.000) 4.085 4.092 ( 1.022 -4.077 0.000) 4.203 21.536 ( 8.649 6.717 0.000) 10.951 21.718 ( -9.458 7.558 0.000) 12.107 23.355 ( 4.073 -3.586 0.000) 5.427 23.433 ( -4.250 -2.904 0.000) 5.148 23.765 ( 0.758 -9.551 0.000) 9.581 23.848 ( -7.172 -15.580 0.000) 17.152 24.539 ( 8.030 -5.629 0.000) 9.806 24.765 ( -14.389 -7.120 0.000) 16.054 25.414 ( 9.454 7.865 0.000) 12.298 25.594 ( -8.386 8.044 0.000) 11.620 27.349 ( 7.335 -31.148 0.000) 32.000 27.476 ( -5.554 -29.144 0.000) 29.669 30.856 ( 1.529 0.195 0.000) 1.541 30.861 ( 1.054 -2.150 0.000) 2.395 31.936 ( 11.558 -18.723 0.000) 22.003 32.072 ( -1.535 -20.439 0.000) 20.496 33.890 ( 6.642 11.088 0.000) 12.925 34.029 ( -7.002 10.543 0.000) 12.657 35.501 ( 4.362 14.957 0.000) 15.580 35.620 ( -7.924 18.780 0.000) 20.383 36.142 ( 1.719 -0.958 0.000) 1.968 36.185 ( -2.544 -1.148 0.000) 2.791 37.216 ( 6.106 -9.949 0.000) 11.674 37.327 ( -4.851 -11.500 0.000) 12.481 ======================= Grid point 27 (16/200) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 19.174 0.000) 19.174 1.302 ( 0.000 19.788 0.000) 19.788 1.867 ( 0.000 18.578 0.000) 18.578 2.627 ( 0.000 8.623 0.000) 8.623 2.644 ( 0.000 14.158 0.000) 14.158 2.925 ( 0.000 3.248 0.000) 3.248 3.017 ( 0.000 -1.843 0.000) 1.843 3.100 ( 0.000 10.990 0.000) 10.990 3.371 ( 0.000 6.039 0.000) 6.039 3.496 ( 0.000 -1.868 0.000) 1.868 3.611 ( 0.000 -1.366 0.000) 1.366 3.966 ( 0.000 -4.920 0.000) 4.920 21.251 ( 0.000 6.131 0.000) 6.131 22.298 ( 0.000 2.947 0.000) 2.947 23.128 ( 0.000 -9.336 0.000) 9.336 23.800 ( 0.000 -1.504 0.000) 1.504 23.929 ( 0.000 5.740 0.000) 5.740 24.146 ( 0.000 -17.226 0.000) 17.226 24.744 ( 0.000 15.036 0.000) 15.036 24.978 ( 0.000 4.683 0.000) 4.683 25.423 ( 0.000 -34.786 0.000) 34.786 26.076 ( 0.000 -0.281 0.000) 0.281 26.298 ( 0.000 -13.846 0.000) 13.846 28.783 ( 0.000 -17.803 0.000) 17.803 29.350 ( 0.000 8.289 0.000) 8.289 30.512 ( 0.000 -3.972 0.000) 3.972 30.579 ( 0.000 -9.370 0.000) 9.370 30.958 ( 0.000 -9.399 0.000) 9.399 33.839 ( 0.000 11.471 0.000) 11.471 34.490 ( 0.000 11.120 0.000) 11.120 35.444 ( 0.000 -0.594 0.000) 0.594 35.985 ( 0.000 -4.164 0.000) 4.164 36.397 ( 0.000 0.566 0.000) 0.566 36.676 ( 0.000 -6.557 0.000) 6.557 36.844 ( 0.000 -6.677 0.000) 6.677 37.163 ( 0.000 -15.027 0.000) 15.027 ======================= Grid point 28 (17/200) ======================= q-point: ( 0.11 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -5.821 18.148 0.000) 19.059 1.354 ( 4.990 18.576 0.000) 19.235 2.011 ( 11.962 16.785 0.000) 20.611 2.610 ( -3.732 13.529 0.000) 14.035 2.656 ( 2.488 8.388 0.000) 8.750 2.805 ( -10.325 2.802 0.000) 10.699 2.881 ( -9.800 -0.833 0.000) 9.836 3.043 ( -4.938 10.927 0.000) 11.991 3.425 ( 2.074 11.067 0.000) 11.259 3.580 ( 6.117 -2.027 0.000) 6.444 3.664 ( 5.582 -5.790 0.000) 8.042 3.927 ( -3.431 -3.609 0.000) 4.980 21.281 ( 3.006 6.275 0.000) 6.958 22.268 ( -2.837 3.748 0.000) 4.701 23.114 ( -0.859 -7.055 0.000) 7.107 23.740 ( -5.799 -3.105 0.000) 6.578 23.926 ( -1.072 2.428 0.000) 2.654 24.057 ( -8.162 -17.328 0.000) 19.154 24.681 ( -5.306 12.598 0.000) 13.669 25.049 ( 6.107 5.838 0.000) 8.449 25.341 ( -8.033 -30.819 0.000) 31.849 26.060 ( -1.667 2.016 0.000) 2.616 26.332 ( 3.333 -18.612 0.000) 18.908 28.129 ( -38.852 -9.311 0.000) 39.952 29.958 ( 33.837 -5.257 0.000) 34.243 30.567 ( 5.216 -2.891 0.000) 5.963 30.689 ( 10.690 -10.013 0.000) 14.647 31.059 ( 10.195 -9.646 0.000) 14.035 33.858 ( 1.940 11.459 0.000) 11.622 34.481 ( -1.010 11.055 0.000) 11.101 35.460 ( 1.527 -0.251 0.000) 1.547 35.987 ( 0.225 -4.090 0.000) 4.096 36.364 ( -2.867 0.431 0.000) 2.899 36.717 ( 3.665 -6.699 0.000) 7.636 36.732 ( -10.391 -2.522 0.000) 10.693 37.161 ( -0.228 -15.208 0.000) 15.210 ======================= Grid point 29 (18/200) ======================= q-point: ( 0.22 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.974 13.589 0.000) 13.624 1.485 ( 7.583 15.478 0.000) 17.235 2.256 ( 10.621 11.301 0.000) 15.509 2.480 ( -8.893 7.278 0.000) 11.492 2.541 ( -12.832 1.486 0.000) 12.917 2.736 ( 1.434 10.136 0.000) 10.237 2.739 ( -2.797 8.915 0.000) 9.344 2.924 ( -5.326 8.885 0.000) 10.359 3.417 ( -2.428 12.964 0.000) 13.190 3.636 ( -2.754 -1.350 0.000) 3.067 3.803 ( 7.231 -7.017 0.000) 10.076 3.887 ( 1.314 -1.325 0.000) 1.866 21.370 ( 5.889 6.757 0.000) 8.963 22.190 ( -4.995 5.711 0.000) 7.587 23.116 ( 1.458 -4.775 0.000) 4.993 23.586 ( -8.853 -7.416 0.000) 11.549 23.856 ( -6.230 -2.272 0.000) 6.631 23.861 ( -10.607 -15.890 0.000) 19.105 24.556 ( -6.891 7.883 0.000) 10.470 25.119 ( -13.595 -23.619 0.000) 27.252 25.198 ( 8.575 6.796 0.000) 10.941 26.008 ( -3.672 5.136 0.000) 6.313 26.421 ( 5.310 -25.946 0.000) 26.484 27.470 ( -26.426 -16.824 0.000) 31.327 30.468 ( 17.651 -5.952 0.000) 18.627 30.696 ( 6.988 -0.455 0.000) 7.003 30.974 ( 16.880 -11.543 0.000) 20.449 31.341 ( 16.180 -12.406 0.000) 20.389 33.915 ( 3.761 11.475 0.000) 12.076 34.445 ( -2.706 10.976 0.000) 11.304 35.506 ( 3.127 0.749 0.000) 3.216 35.991 ( -0.040 -3.910 0.000) 3.910 36.299 ( -3.381 0.518 0.000) 3.420 36.480 ( -13.569 4.605 0.000) 14.329 36.805 ( 4.852 -7.590 0.000) 9.008 37.150 ( -0.897 -14.998 0.000) 15.025 ======================= Grid point 30 (19/200) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 9.344 6.687 0.000) 11.491 1.626 ( 5.509 10.661 0.000) 12.000 2.302 ( -6.271 4.524 0.000) 7.732 2.307 ( -9.374 2.608 0.000) 9.730 2.367 ( -1.255 4.288 0.000) 4.468 2.617 ( -11.484 7.231 0.000) 13.571 2.807 ( 9.232 17.159 0.000) 19.485 2.950 ( 6.089 9.563 0.000) 11.336 3.343 ( -4.789 12.512 0.000) 13.398 3.496 ( -9.650 4.074 0.000) 10.475 3.928 ( 5.004 -6.042 0.000) 7.845 3.953 ( 3.673 -2.366 0.000) 4.369 21.513 ( 8.336 7.625 0.000) 11.298 22.065 ( -7.567 7.892 0.000) 10.933 23.177 ( 4.521 -4.614 0.000) 6.460 23.428 ( -6.043 -9.735 0.000) 11.458 23.656 ( -9.674 -14.483 0.000) 17.417 23.693 ( -9.363 -6.428 0.000) 11.357 24.432 ( -4.503 1.093 0.000) 4.634 24.829 ( -14.720 -17.429 0.000) 22.814 25.384 ( 9.932 7.390 0.000) 12.380 25.911 ( -6.036 6.903 0.000) 9.170 26.538 ( 6.311 -30.720 0.000) 31.362 27.066 ( -14.980 -26.532 0.000) 30.468 30.721 ( 9.005 -1.990 0.000) 9.222 30.820 ( 5.003 1.513 0.000) 5.227 31.318 ( 16.487 -13.066 0.000) 21.036 31.615 ( 9.851 -14.887 0.000) 17.851 34.007 ( 5.354 11.560 0.000) 12.740 34.369 ( -4.861 11.089 0.000) 12.107 35.585 ( 4.868 2.211 0.000) 5.346 35.968 ( -3.140 -2.520 0.000) 4.026 36.235 ( -2.949 0.877 0.000) 3.076 36.244 ( -8.616 7.757 0.000) 11.593 36.903 ( 4.881 -9.134 0.000) 10.356 37.122 ( -1.968 -14.128 0.000) 14.265 ======================= Grid point 31 (20/200) ======================= q-point: ( 0.44 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 11.220 1.921 0.000) 11.384 1.650 ( -4.089 3.585 0.000) 5.438 2.213 ( 0.303 7.066 0.000) 7.073 2.241 ( 0.451 7.843 0.000) 7.856 2.296 ( -3.791 2.481 0.000) 4.530 2.382 ( -10.324 3.991 0.000) 11.069 3.036 ( 12.262 14.191 0.000) 18.755 3.088 ( 7.092 10.481 0.000) 12.655 3.231 ( -6.265 12.003 0.000) 13.540 3.282 ( -11.444 10.002 0.000) 15.199 3.997 ( 1.928 -4.896 0.000) 5.262 4.004 ( 1.224 -3.675 0.000) 3.873 21.696 ( 9.781 8.637 0.000) 13.048 21.892 ( -9.553 8.997 0.000) 13.123 23.284 ( 5.685 -3.924 0.000) 6.908 23.361 ( -1.560 -4.827 0.000) 5.073 23.494 ( -5.332 -16.976 0.000) 17.793 23.520 ( -6.801 -12.687 0.000) 14.394 24.415 ( 3.354 -6.157 0.000) 7.011 24.564 ( -11.071 -12.068 0.000) 16.377 25.584 ( 9.847 7.703 0.000) 12.501 25.767 ( -8.336 7.637 0.000) 11.305 26.672 ( 7.209 -32.766 0.000) 33.550 26.833 ( -9.270 -31.794 0.000) 33.118 30.849 ( 3.973 0.958 0.000) 4.087 30.881 ( 0.822 2.093 0.000) 2.249 31.594 ( 10.346 -14.360 0.000) 17.699 31.708 ( -0.709 -15.185 0.000) 15.201 34.125 ( 6.428 11.582 0.000) 13.246 34.255 ( -6.362 11.382 0.000) 13.040 35.701 ( 6.735 3.462 0.000) 7.573 35.849 ( -7.712 2.518 0.000) 8.112 36.163 ( -0.431 3.730 0.000) 3.755 36.184 ( -2.019 1.603 0.000) 2.578 36.995 ( 4.281 -10.961 0.000) 11.767 37.071 ( -3.218 -12.720 0.000) 13.121 ======================= Grid point 36 (21/200) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 17.178 0.000) 17.178 1.688 ( 0.000 17.585 0.000) 17.585 2.146 ( 0.000 9.860 0.000) 9.860 2.760 ( 0.000 3.673 0.000) 3.673 2.903 ( 0.000 1.386 0.000) 1.386 2.985 ( 0.000 3.172 0.000) 3.172 3.071 ( 0.000 15.150 0.000) 15.150 3.314 ( 0.000 -8.215 0.000) 8.215 3.337 ( 0.000 11.199 0.000) 11.199 3.474 ( 0.000 -0.139 0.000) 0.139 3.734 ( 0.000 9.611 0.000) 9.611 3.861 ( 0.000 -5.036 0.000) 5.036 21.414 ( 0.000 9.937 0.000) 9.937 22.355 ( 0.000 2.713 0.000) 2.713 22.938 ( 0.000 -8.826 0.000) 8.826 23.755 ( 0.000 -2.933 0.000) 2.933 23.867 ( 0.000 -10.006 0.000) 10.006 24.086 ( 0.000 9.693 0.000) 9.693 24.653 ( 0.000 -38.442 0.000) 38.442 25.059 ( 0.000 2.845 0.000) 2.845 25.100 ( 0.000 19.134 0.000) 19.134 25.936 ( 0.000 -19.152 0.000) 19.152 26.055 ( 0.000 -2.847 0.000) 2.847 28.346 ( 0.000 -24.473 0.000) 24.473 29.528 ( 0.000 8.911 0.000) 8.911 30.439 ( 0.000 -3.001 0.000) 3.001 30.460 ( 0.000 -2.945 0.000) 2.945 30.755 ( 0.000 -10.202 0.000) 10.202 34.065 ( 0.000 10.420 0.000) 10.420 34.740 ( 0.000 12.982 0.000) 12.982 35.354 ( 0.000 -7.626 0.000) 7.626 35.895 ( 0.000 -4.486 0.000) 4.486 36.424 ( 0.000 1.736 0.000) 1.736 36.554 ( 0.000 -5.028 0.000) 5.028 36.689 ( 0.000 -8.257 0.000) 8.257 36.850 ( 0.000 -14.842 0.000) 14.842 ======================= Grid point 37 (22/200) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -8.132 15.824 0.000) 17.791 1.721 ( 3.093 16.858 0.000) 17.140 2.269 ( 9.561 9.733 0.000) 13.643 2.747 ( -12.443 -2.398 0.000) 12.672 2.764 ( -2.508 2.058 0.000) 3.245 2.891 ( -4.864 5.188 0.000) 7.111 3.061 ( 0.083 18.645 0.000) 18.645 3.245 ( -7.830 7.555 0.000) 10.880 3.455 ( 10.283 -7.507 0.000) 12.732 3.566 ( 6.104 1.269 0.000) 6.234 3.716 ( -1.821 9.839 0.000) 10.006 3.858 ( -0.109 -2.795 0.000) 2.797 21.445 ( 3.081 9.817 0.000) 10.290 22.341 ( -1.426 3.342 0.000) 3.633 22.950 ( 1.128 -8.452 0.000) 8.527 23.628 ( -12.357 -7.845 0.000) 14.637 23.794 ( -5.817 -8.638 0.000) 10.414 24.035 ( -5.255 8.252 0.000) 9.783 24.647 ( -1.547 -34.545 0.000) 34.579 24.969 ( -7.671 13.861 0.000) 15.843 25.167 ( 5.439 6.270 0.000) 8.300 25.926 ( -0.609 -18.874 0.000) 18.883 26.062 ( 0.379 -3.133 0.000) 3.155 27.833 ( -38.705 -19.057 0.000) 43.142 29.927 ( 27.718 1.473 0.000) 27.757 30.503 ( 7.100 -3.154 0.000) 7.769 30.567 ( 9.314 -2.557 0.000) 9.658 30.854 ( 9.581 -10.125 0.000) 13.940 34.085 ( 1.984 10.465 0.000) 10.652 34.728 ( -1.253 12.784 0.000) 12.845 35.374 ( 1.986 -7.497 0.000) 7.756 35.897 ( 0.156 -4.628 0.000) 4.631 36.387 ( -2.932 1.445 0.000) 3.269 36.594 ( 3.190 -4.997 0.000) 5.928 36.626 ( -5.857 -7.222 0.000) 9.298 36.856 ( 0.376 -13.927 0.000) 13.933 ======================= Grid point 38 (23/200) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -4.137 13.021 0.000) 13.662 1.797 ( 3.941 14.582 0.000) 15.105 2.444 ( 6.581 8.202 0.000) 10.516 2.492 ( -11.882 -2.863 0.000) 12.223 2.576 ( -12.126 1.935 0.000) 12.280 2.917 ( 2.016 6.915 0.000) 7.203 3.053 ( -8.802 3.043 0.000) 9.313 3.088 ( 2.979 20.019 0.000) 20.239 3.633 ( 2.423 -5.408 0.000) 5.926 3.647 ( 1.164 2.858 0.000) 3.086 3.681 ( 2.922 8.320 0.000) 8.818 3.872 ( 1.952 0.089 0.000) 1.954 21.537 ( 6.172 9.556 0.000) 11.376 22.299 ( -2.906 4.778 0.000) 5.593 22.982 ( 2.194 -8.028 0.000) 8.323 23.342 ( -14.173 -14.144 0.000) 20.023 23.653 ( -8.178 -6.438 0.000) 10.408 23.874 ( -10.679 4.874 0.000) 11.739 24.567 ( -6.396 -28.257 0.000) 28.972 24.766 ( -12.424 12.218 0.000) 17.425 25.308 ( 8.486 3.241 0.000) 9.083 25.926 ( 0.759 -19.894 0.000) 19.908 26.054 ( -1.417 -2.603 0.000) 2.964 27.074 ( -34.455 -21.395 0.000) 40.557 30.409 ( 19.600 -0.398 0.000) 19.604 30.688 ( 10.008 -0.512 0.000) 10.021 30.807 ( 14.279 -4.848 0.000) 15.080 31.103 ( 13.967 -10.793 0.000) 17.651 34.144 ( 3.912 10.630 0.000) 11.327 34.687 ( -2.984 12.315 0.000) 12.671 35.434 ( 3.963 -7.138 0.000) 8.164 35.897 ( -0.377 -5.224 0.000) 5.237 36.326 ( -2.971 1.772 0.000) 3.459 36.479 ( -8.158 -3.576 0.000) 8.907 36.662 ( 3.470 -6.037 0.000) 6.963 36.859 ( -0.103 -12.833 0.000) 12.834 ======================= Grid point 39 (24/200) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 3.408 8.585 0.000) 9.237 1.838 ( -1.176 9.717 0.000) 9.788 2.297 ( -6.637 -2.886 0.000) 7.237 2.374 ( -6.620 3.684 0.000) 7.576 2.515 ( 0.358 9.002 0.000) 9.009 2.732 ( -13.996 3.880 0.000) 14.524 3.102 ( 7.517 4.771 0.000) 8.903 3.188 ( 6.825 18.317 0.000) 19.547 3.560 ( -5.423 6.526 0.000) 8.485 3.615 ( -3.862 7.242 0.000) 8.208 3.816 ( 6.287 -2.976 0.000) 6.955 3.922 ( 2.291 -0.355 0.000) 2.318 21.689 ( 8.858 9.327 0.000) 12.863 22.216 ( -5.595 6.536 0.000) 8.604 23.039 ( 3.434 -9.041 0.000) 9.672 23.125 ( -6.549 -16.527 0.000) 17.777 23.481 ( -8.581 -4.937 0.000) 9.900 23.627 ( -13.495 1.315 0.000) 13.559 24.415 ( -7.943 -21.644 0.000) 23.055 24.497 ( -13.286 5.272 0.000) 14.293 25.494 ( 9.901 2.372 0.000) 10.181 25.949 ( 0.203 -15.582 0.000) 15.583 26.010 ( -1.718 -8.061 0.000) 8.242 26.519 ( -20.897 -26.023 0.000) 33.375 30.718 ( 11.786 1.188 0.000) 11.846 30.859 ( 6.560 2.090 0.000) 6.885 31.105 ( 14.539 -7.656 0.000) 16.431 31.346 ( 9.100 -11.466 0.000) 14.639 34.239 ( 5.572 10.919 0.000) 12.259 34.607 ( -4.974 11.839 0.000) 12.842 35.531 ( 5.725 -6.695 0.000) 8.809 35.870 ( -2.591 -6.367 0.000) 6.874 36.273 ( -2.287 2.357 0.000) 3.285 36.328 ( -6.298 0.809 0.000) 6.350 36.728 ( 3.100 -7.606 0.000) 8.213 36.850 ( -0.820 -11.880 0.000) 11.908 ======================= Grid point 40 (25/200) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 8.594 4.629 0.000) 9.762 1.732 ( -8.451 4.491 0.000) 9.570 2.247 ( 1.724 -2.328 0.000) 2.897 2.313 ( -2.072 1.666 0.000) 2.659 2.484 ( -2.504 10.896 0.000) 11.180 2.497 ( -6.939 7.838 0.000) 10.468 3.258 ( 7.624 5.471 0.000) 9.384 3.327 ( 5.052 12.554 0.000) 13.532 3.448 ( -4.223 8.820 0.000) 9.779 3.511 ( -6.139 11.568 0.000) 13.096 3.912 ( 3.244 -2.546 0.000) 4.124 3.945 ( -0.154 -1.524 0.000) 1.531 21.881 ( 10.055 9.028 0.000) 13.513 22.072 ( -8.703 8.140 0.000) 11.917 23.091 ( 2.284 -16.902 0.000) 17.056 23.107 ( 2.540 -13.376 0.000) 13.615 23.336 ( -4.871 -1.784 0.000) 5.188 23.377 ( -9.715 0.094 0.000) 9.715 24.288 ( -3.842 -14.136 0.000) 14.649 24.298 ( -5.476 -4.910 0.000) 7.355 25.691 ( 9.497 1.587 0.000) 9.629 25.861 ( -7.266 -0.040 0.000) 7.266 26.062 ( 5.411 -24.895 0.000) 25.476 26.215 ( -10.572 -27.109 0.000) 29.097 30.889 ( 5.461 2.598 0.000) 6.047 30.935 ( 0.849 2.964 0.000) 3.083 31.347 ( 8.899 -9.610 0.000) 13.097 31.439 ( -0.036 -10.993 0.000) 10.993 34.361 ( 6.548 11.236 0.000) 13.005 34.492 ( -6.374 11.509 0.000) 13.156 35.657 ( 6.708 -6.532 0.000) 9.363 35.786 ( -5.764 -6.818 0.000) 8.928 36.239 ( -0.936 2.966 0.000) 3.110 36.246 ( -1.942 3.056 0.000) 3.621 36.784 ( 2.471 -9.255 0.000) 9.579 36.825 ( -1.667 -10.721 0.000) 10.850 ======================= Grid point 45 (26/200) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 14.850 0.000) 14.850 2.022 ( 0.000 14.816 0.000) 14.816 2.321 ( 0.000 7.921 0.000) 7.921 2.771 ( 0.000 -2.365 0.000) 2.365 2.836 ( 0.000 -5.174 0.000) 5.174 3.063 ( 0.000 4.431 0.000) 4.431 3.117 ( 0.000 -10.315 0.000) 10.315 3.448 ( 0.000 17.807 0.000) 17.807 3.471 ( 0.000 -1.098 0.000) 1.098 3.543 ( 0.000 8.591 0.000) 8.591 3.777 ( 0.000 -2.528 0.000) 2.528 3.911 ( 0.000 6.769 0.000) 6.769 21.668 ( 0.000 14.874 0.000) 14.874 22.412 ( 0.000 2.836 0.000) 2.836 22.772 ( 0.000 -7.185 0.000) 7.185 23.660 ( 0.000 -9.465 0.000) 9.465 23.719 ( 0.000 -4.900 0.000) 4.900 23.900 ( 0.000 -30.754 0.000) 30.754 24.326 ( 0.000 13.245 0.000) 13.245 25.084 ( 0.000 -0.697 0.000) 0.697 25.521 ( 0.000 21.701 0.000) 21.701 25.592 ( 0.000 -12.562 0.000) 12.562 25.946 ( 0.000 -7.666 0.000) 7.666 27.789 ( 0.000 -29.161 0.000) 29.161 29.716 ( 0.000 9.294 0.000) 9.294 30.391 ( 0.000 -1.558 0.000) 1.558 30.426 ( 0.000 -0.956 0.000) 0.956 30.542 ( 0.000 -10.453 0.000) 10.453 34.270 ( 0.000 9.659 0.000) 9.659 35.016 ( 0.000 13.584 0.000) 13.584 35.156 ( 0.000 -11.042 0.000) 11.042 35.800 ( 0.000 -4.755 0.000) 4.755 36.454 ( 0.000 0.971 0.000) 0.971 36.476 ( 0.000 -2.515 0.000) 2.515 36.513 ( 0.000 -8.484 0.000) 8.484 36.570 ( 0.000 -11.899 0.000) 11.899 ======================= Grid point 46 (27/200) ======================= q-point: ( 0.11 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -10.054 13.223 0.000) 16.611 2.043 ( 1.896 14.395 0.000) 14.519 2.455 ( 9.265 8.682 0.000) 12.697 2.656 ( -12.680 -5.552 0.000) 13.842 2.764 ( -2.510 -1.976 0.000) 3.195 2.987 ( -4.253 4.214 0.000) 5.987 3.270 ( 10.167 -9.316 0.000) 13.790 3.322 ( -11.226 0.046 0.000) 11.226 3.454 ( 0.780 17.471 0.000) 17.489 3.643 ( 6.101 5.546 0.000) 8.245 3.823 ( 3.516 -0.469 0.000) 3.547 3.898 ( -1.177 6.999 0.000) 7.097 21.692 ( 2.388 14.253 0.000) 14.452 22.407 ( -0.533 3.163 0.000) 3.207 22.783 ( 1.039 -7.438 0.000) 7.510 23.437 ( -19.459 -12.632 0.000) 23.200 23.626 ( -3.311 -8.424 0.000) 9.051 24.018 ( 4.236 -23.161 0.000) 23.545 24.262 ( -6.532 13.441 0.000) 14.944 25.120 ( 3.016 0.599 0.000) 3.075 25.411 ( -9.819 17.329 0.000) 19.918 25.589 ( -0.329 -12.415 0.000) 12.420 25.946 ( -0.018 -8.156 0.000) 8.156 27.370 ( -35.523 -25.210 0.000) 43.559 29.996 ( 22.271 4.848 0.000) 22.792 30.459 ( 7.636 -0.996 0.000) 7.701 30.537 ( 9.397 -1.039 0.000) 9.454 30.646 ( 9.937 -9.909 0.000) 14.033 34.291 ( 2.119 9.733 0.000) 9.961 34.998 ( -1.782 13.243 0.000) 13.363 35.178 ( 2.160 -10.982 0.000) 11.193 35.796 ( -0.538 -5.276 0.000) 5.304 36.411 ( -2.592 0.773 0.000) 2.705 36.459 ( -3.940 -8.118 0.000) 9.024 36.516 ( 2.323 -2.572 0.000) 3.466 36.601 ( 1.789 -10.716 0.000) 10.864 ======================= Grid point 47 (28/200) ======================= q-point: ( 0.22 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -7.046 11.507 0.000) 13.493 2.079 ( 0.798 12.710 0.000) 12.735 2.396 ( -11.427 -5.577 0.000) 12.716 2.613 ( -10.420 1.346 0.000) 10.506 2.631 ( 6.517 9.376 0.000) 11.419 3.005 ( 4.732 1.399 0.000) 4.934 3.062 ( -13.808 -1.018 0.000) 13.845 3.432 ( 4.715 -1.913 0.000) 5.088 3.498 ( 4.301 9.402 0.000) 10.339 3.744 ( 3.429 5.704 0.000) 6.655 3.872 ( -1.080 7.433 0.000) 7.511 3.890 ( 3.047 1.471 0.000) 3.383 21.765 ( 5.029 12.556 0.000) 13.526 22.387 ( -1.667 3.870 0.000) 4.214 22.809 ( 1.417 -8.229 0.000) 8.350 23.059 ( -16.901 -13.648 0.000) 21.724 23.532 ( -5.899 -5.535 0.000) 8.090 24.034 ( -1.748 -21.738 0.000) 21.808 24.061 ( -13.432 12.988 0.000) 18.685 25.046 ( -15.301 14.629 0.000) 21.169 25.307 ( 4.315 -3.678 0.000) 5.670 25.582 ( -0.279 -12.525 0.000) 12.528 25.939 ( -0.984 -8.787 0.000) 8.842 26.606 ( -36.748 -23.389 0.000) 43.560 30.432 ( 19.641 2.287 0.000) 19.774 30.676 ( 12.824 -0.285 0.000) 12.827 30.755 ( 11.743 -1.030 0.000) 11.788 30.897 ( 13.778 -9.205 0.000) 16.570 34.354 ( 4.202 9.956 0.000) 10.806 34.944 ( -3.714 12.460 0.000) 13.002 35.242 ( 4.266 -10.815 0.000) 11.626 35.773 ( -1.933 -6.843 0.000) 7.110 36.361 ( -2.349 1.533 0.000) 2.805 36.378 ( -3.877 -5.042 0.000) 6.360 36.559 ( 1.935 -4.027 0.000) 4.467 36.628 ( 0.899 -9.729 0.000) 9.770 ======================= Grid point 48 (29/200) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.450 9.010 0.000) 9.021 2.025 ( -7.005 8.504 0.000) 11.017 2.217 ( -5.873 -4.796 0.000) 7.583 2.439 ( -6.602 1.868 0.000) 6.861 2.713 ( 1.651 9.977 0.000) 10.112 2.794 ( -10.961 2.845 0.000) 11.324 3.141 ( 7.678 -0.754 0.000) 7.715 3.480 ( 0.340 0.713 0.000) 0.790 3.582 ( 3.491 7.037 0.000) 7.856 3.773 ( -0.404 7.520 0.000) 7.531 3.874 ( 1.590 5.855 0.000) 6.067 3.939 ( 1.688 1.790 0.000) 2.460 21.892 ( 7.538 10.217 0.000) 12.697 22.331 ( -4.148 4.745 0.000) 6.302 22.812 ( -7.083 -13.678 0.000) 15.403 22.834 ( 0.852 -9.965 0.000) 10.002 23.410 ( -5.605 -1.906 0.000) 5.920 23.753 ( -16.320 10.569 0.000) 19.443 23.990 ( -1.647 -18.457 0.000) 18.530 24.639 ( -23.263 7.745 0.000) 24.519 25.448 ( 8.072 -7.217 0.000) 10.827 25.582 ( 0.447 -13.709 0.000) 13.717 25.899 ( -3.096 -8.519 0.000) 9.065 26.025 ( -20.274 -21.004 0.000) 29.192 30.757 ( 12.938 2.465 0.000) 13.171 30.900 ( 8.282 1.794 0.000) 8.475 30.996 ( 12.102 -3.196 0.000) 12.517 31.141 ( 9.590 -8.495 0.000) 12.811 34.457 ( 5.962 10.303 0.000) 11.904 34.851 ( -5.571 11.681 0.000) 12.942 35.346 ( 6.006 -10.588 0.000) 12.173 35.713 ( -4.208 -8.804 0.000) 9.758 36.315 ( -2.356 -1.158 0.000) 2.625 36.319 ( -1.796 2.067 0.000) 2.739 36.593 ( 1.482 -5.545 0.000) 5.739 36.638 ( 0.118 -8.869 0.000) 8.870 ======================= Grid point 49 (30/200) ======================= q-point: ( 0.44 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 6.271 6.490 0.000) 9.025 1.838 ( -10.078 5.824 0.000) 11.640 2.181 ( 2.488 -4.030 0.000) 4.736 2.297 ( -7.862 -2.598 0.000) 8.280 2.683 ( -0.494 9.559 0.000) 9.572 2.708 ( -1.611 10.732 0.000) 10.852 3.297 ( 7.545 -1.708 0.000) 7.736 3.428 ( -5.176 -2.630 0.000) 5.806 3.659 ( 4.212 11.413 0.000) 12.166 3.735 ( -3.113 9.820 0.000) 10.302 3.920 ( 2.370 2.916 0.000) 3.758 3.952 ( -0.540 1.849 0.000) 1.926 22.056 ( 8.586 7.783 0.000) 11.588 22.217 ( -7.179 5.928 0.000) 9.311 22.774 ( 2.197 -13.591 0.000) 13.767 22.828 ( -1.774 -12.593 0.000) 12.718 23.346 ( 0.384 2.949 0.000) 2.974 23.463 ( -11.310 7.620 0.000) 13.638 24.010 ( 4.676 -12.305 0.000) 13.164 24.217 ( -16.667 -3.213 0.000) 16.974 25.589 ( 4.592 -12.484 0.000) 13.301 25.601 ( 1.320 -15.921 0.000) 15.976 25.784 ( -4.360 -13.008 0.000) 13.720 25.818 ( -4.638 -7.550 0.000) 8.860 30.947 ( 6.015 2.861 0.000) 6.661 30.995 ( 1.192 2.720 0.000) 2.970 31.195 ( 6.954 -5.244 0.000) 8.710 31.253 ( 1.392 -7.131 0.000) 7.265 34.587 ( 6.937 10.702 0.000) 12.753 34.726 ( -6.794 11.124 0.000) 13.034 35.475 ( 6.808 -10.362 0.000) 12.398 35.607 ( -6.180 -9.968 0.000) 11.728 36.287 ( -0.494 1.354 0.000) 1.441 36.292 ( -0.897 2.171 0.000) 2.349 36.618 ( 1.027 -6.895 0.000) 6.971 36.634 ( -0.511 -7.985 0.000) 8.001 ======================= Grid point 54 (31/200) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 12.285 0.000) 12.285 2.298 ( 0.000 11.944 0.000) 11.944 2.485 ( 0.000 7.929 0.000) 7.929 2.677 ( 0.000 -6.388 0.000) 6.388 2.710 ( 0.000 -6.797 0.000) 6.797 2.901 ( 0.000 -10.411 0.000) 10.411 3.167 ( 0.000 5.584 0.000) 5.584 3.406 ( 0.000 -4.944 0.000) 4.944 3.684 ( 0.000 5.022 0.000) 5.022 3.759 ( 0.000 0.134 0.000) 0.134 3.763 ( 0.000 12.378 0.000) 12.378 3.995 ( 0.000 1.111 0.000) 1.111 22.032 ( 0.000 20.580 0.000) 20.580 22.474 ( 0.000 3.222 0.000) 3.222 22.643 ( 0.000 -5.370 0.000) 5.370 23.120 ( 0.000 -31.563 0.000) 31.563 23.648 ( 0.000 -2.262 0.000) 2.262 23.661 ( 0.000 -3.272 0.000) 3.272 24.610 ( 0.000 13.654 0.000) 13.654 25.023 ( 0.000 -5.347 0.000) 5.347 25.456 ( 0.000 -0.530 0.000) 0.530 25.752 ( 0.000 -10.531 0.000) 10.531 25.998 ( 0.000 24.854 0.000) 24.854 27.167 ( 0.000 -30.666 0.000) 30.666 29.911 ( 0.000 9.706 0.000) 9.706 30.327 ( 0.000 -10.383 0.000) 10.383 30.375 ( 0.000 -0.049 0.000) 0.049 30.406 ( 0.000 -1.010 0.000) 1.010 34.470 ( 0.000 9.928 0.000) 9.928 34.918 ( 0.000 -11.699 0.000) 11.699 35.289 ( 0.000 12.662 0.000) 12.662 35.690 ( 0.000 -6.361 0.000) 6.361 36.359 ( 0.000 -5.798 0.000) 5.798 36.374 ( 0.000 -6.839 0.000) 6.839 36.448 ( 0.000 -0.361 0.000) 0.361 36.462 ( 0.000 -0.185 0.000) 0.185 ======================= Grid point 55 (32/200) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -11.362 11.047 0.000) 15.847 2.312 ( 1.191 11.729 0.000) 11.789 2.498 ( -11.262 -7.106 0.000) 13.317 2.664 ( 8.616 8.961 0.000) 12.431 2.681 ( -0.344 -5.924 0.000) 5.934 3.069 ( 10.407 -9.962 0.000) 14.407 3.077 ( -6.828 4.669 0.000) 8.272 3.275 ( -10.941 -3.959 0.000) 11.636 3.753 ( 5.334 4.501 0.000) 6.980 3.764 ( 0.182 12.127 0.000) 12.128 3.827 ( 5.054 0.334 0.000) 5.065 3.986 ( -0.765 1.312 0.000) 1.519 22.035 ( 0.375 19.162 0.000) 19.165 22.473 ( -0.127 3.360 0.000) 3.362 22.649 ( 0.494 -5.606 0.000) 5.628 23.006 ( -10.851 -26.080 0.000) 28.247 23.533 ( -5.137 -0.290 0.000) 5.145 23.724 ( 0.592 -8.693 0.000) 8.713 24.565 ( -4.801 15.281 0.000) 16.017 25.055 ( 3.085 -6.550 0.000) 7.241 25.449 ( -0.676 -0.921 0.000) 1.142 25.743 ( -0.914 -10.942 0.000) 10.981 25.811 ( -17.442 21.186 0.000) 27.442 26.825 ( -30.608 -26.990 0.000) 40.808 30.117 ( 17.665 6.764 0.000) 18.915 30.449 ( 11.380 -9.177 0.000) 14.619 30.458 ( 8.427 0.730 0.000) 8.458 30.513 ( 9.483 -1.349 0.000) 9.578 34.492 ( 2.254 9.978 0.000) 10.229 34.941 ( 2.260 -11.661 0.000) 11.878 35.264 ( -2.475 12.319 0.000) 12.565 35.671 ( -1.890 -7.091 0.000) 7.339 36.328 ( -1.444 -3.959 0.000) 4.214 36.414 ( 2.223 -7.349 0.000) 7.678 36.425 ( -1.521 0.819 0.000) 1.728 36.477 ( 0.810 -1.532 0.000) 1.733 ======================= Grid point 56 (33/200) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -8.669 10.040 0.000) 13.264 2.264 ( -10.671 -7.235 0.000) 12.893 2.318 ( -1.873 10.457 0.000) 10.624 2.609 ( -7.446 -2.439 0.000) 7.836 2.831 ( 6.840 9.997 0.000) 12.113 2.996 ( -1.427 -0.648 0.000) 1.567 3.042 ( -9.317 -1.314 0.000) 9.410 3.247 ( 6.891 -9.958 0.000) 12.110 3.775 ( 1.065 11.259 0.000) 11.309 3.853 ( 4.064 4.422 0.000) 6.006 3.919 ( 3.843 0.922 0.000) 3.952 3.969 ( -0.750 1.813 0.000) 1.962 22.053 ( 1.543 15.283 0.000) 15.361 22.463 ( -1.097 3.702 0.000) 3.861 22.658 ( 0.237 -6.334 0.000) 6.338 22.748 ( -12.938 -16.749 0.000) 21.164 23.455 ( -3.022 -0.782 0.000) 3.121 23.697 ( -2.191 -11.755 0.000) 11.957 24.392 ( -13.288 18.521 0.000) 22.795 25.126 ( 1.939 -12.491 0.000) 12.640 25.377 ( -23.431 15.931 0.000) 28.334 25.431 ( -1.071 -1.789 0.000) 2.085 25.717 ( -1.630 -11.746 0.000) 11.858 26.137 ( -33.196 -21.575 0.000) 39.591 30.497 ( 18.511 3.956 0.000) 18.929 30.685 ( 13.174 1.056 0.000) 13.217 30.726 ( 14.928 -7.327 0.000) 16.629 30.738 ( 11.929 -0.969 0.000) 11.968 34.560 ( 4.457 10.117 0.000) 11.055 35.008 ( 4.449 -11.549 0.000) 12.377 35.193 ( -4.567 11.618 0.000) 12.484 35.613 ( -3.922 -8.658 0.000) 9.505 36.310 ( -0.380 -1.127 0.000) 1.189 36.393 ( -1.603 1.744 0.000) 2.369 36.453 ( 1.629 -7.248 0.000) 7.429 36.489 ( 0.421 -2.913 0.000) 2.943 ======================= Grid point 57 (34/200) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -2.636 8.609 0.000) 9.003 2.102 ( -4.965 -6.304 0.000) 8.024 2.191 ( -10.478 7.573 0.000) 12.928 2.429 ( -10.204 -2.854 0.000) 10.596 2.872 ( -3.222 4.842 0.000) 5.816 2.921 ( 2.162 10.189 0.000) 10.416 3.086 ( 5.798 -4.219 0.000) 7.171 3.331 ( 1.393 -9.342 0.000) 9.446 3.810 ( 2.385 9.655 0.000) 9.945 3.906 ( 1.193 5.077 0.000) 5.215 3.964 ( 0.332 2.121 0.000) 2.147 3.976 ( 1.841 1.251 0.000) 2.226 22.104 ( 3.757 10.389 0.000) 11.047 22.421 ( -3.378 4.231 0.000) 5.414 22.554 ( -5.594 -11.720 0.000) 12.987 22.650 ( -1.196 -7.667 0.000) 7.759 23.412 ( -0.832 2.229 0.000) 2.379 23.681 ( 1.529 -11.526 0.000) 11.627 24.045 ( -19.955 17.319 0.000) 26.423 24.724 ( -32.496 -4.092 0.000) 32.752 25.277 ( 4.648 -3.616 0.000) 5.889 25.408 ( -1.192 -2.957 0.000) 3.188 25.668 ( -12.906 -14.540 0.000) 19.442 25.675 ( -2.658 -12.047 0.000) 12.337 30.815 ( 12.994 3.195 0.000) 13.381 30.930 ( 9.732 1.060 0.000) 9.789 30.959 ( 10.168 -0.856 0.000) 10.204 30.993 ( 10.906 -5.923 0.000) 12.411 34.668 ( 6.287 10.316 0.000) 12.081 35.085 ( -6.186 11.047 0.000) 12.661 35.116 ( 6.234 -11.376 0.000) 12.972 35.517 ( -5.664 -9.996 0.000) 11.489 36.310 ( 0.315 1.079 0.000) 1.124 36.363 ( -1.418 2.336 0.000) 2.733 36.478 ( 0.911 -6.707 0.000) 6.768 36.495 ( 0.125 -4.153 0.000) 4.154 ======================= Grid point 58 (35/200) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 4.727 7.168 0.000) 8.586 1.968 ( -10.437 6.586 0.000) 12.341 2.083 ( 3.166 -5.534 0.000) 6.375 2.218 ( -9.748 -4.891 0.000) 10.906 2.877 ( 2.339 9.188 0.000) 9.481 2.924 ( -1.599 10.186 0.000) 10.311 3.209 ( 5.982 -6.234 0.000) 8.640 3.307 ( -3.469 -7.903 0.000) 8.631 3.862 ( 2.615 7.838 0.000) 8.263 3.903 ( -1.265 6.291 0.000) 6.417 3.980 ( 1.009 1.819 0.000) 2.080 3.993 ( -0.065 1.437 0.000) 1.439 22.203 ( 5.946 6.719 0.000) 8.972 22.326 ( -5.904 5.049 0.000) 7.768 22.531 ( 2.509 -10.180 0.000) 10.485 22.603 ( -3.546 -9.296 0.000) 9.949 23.455 ( 6.067 7.161 0.000) 9.386 23.673 ( -15.686 12.268 0.000) 19.913 23.790 ( 10.336 -9.151 0.000) 13.805 24.131 ( -24.303 -6.330 0.000) 25.114 25.354 ( 2.424 -6.367 0.000) 6.812 25.385 ( -1.184 -4.672 0.000) 4.820 25.562 ( 0.352 -10.682 0.000) 10.687 25.612 ( -3.463 -11.351 0.000) 11.867 31.005 ( 5.812 2.774 0.000) 6.440 31.044 ( 1.885 2.015 0.000) 2.759 31.120 ( 4.932 -2.458 0.000) 5.511 31.138 ( 3.249 -4.335 0.000) 5.417 34.805 ( 7.270 10.525 0.000) 12.791 34.950 ( -7.182 10.731 0.000) 12.913 35.251 ( 7.097 -11.142 0.000) 13.211 35.391 ( -6.821 -10.759 0.000) 12.739 36.320 ( 0.704 2.234 0.000) 2.343 36.338 ( -1.073 2.555 0.000) 2.771 36.491 ( 0.384 -6.015 0.000) 6.027 36.495 ( -0.087 -5.185 0.000) 5.186 ======================= Grid point 63 (36/200) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 0.000 -8.650 0.000) 8.650 2.507 ( 0.000 8.650 0.000) 8.650 2.516 ( 0.000 -9.223 0.000) 9.223 2.516 ( 0.000 9.223 0.000) 9.223 2.699 ( 0.000 -8.537 0.000) 8.537 2.699 ( 0.000 8.537 0.000) 8.537 3.288 ( 0.000 -6.080 0.000) 6.080 3.288 ( 0.000 6.080 0.000) 6.080 3.751 ( 0.000 -1.524 0.000) 1.524 3.751 ( 0.000 1.524 0.000) 1.524 3.949 ( 0.000 -5.627 0.000) 5.627 3.949 ( 0.000 5.627 0.000) 5.627 22.518 ( 0.000 -26.521 0.000) 26.521 22.518 ( 0.000 26.521 0.000) 26.521 22.548 ( 0.000 -4.008 0.000) 4.008 22.548 ( 0.000 4.008 0.000) 4.008 23.626 ( 0.000 -0.248 0.000) 0.248 23.626 ( 0.000 0.248 0.000) 0.248 24.861 ( 0.000 -10.285 0.000) 10.285 24.861 ( 0.000 10.285 0.000) 10.285 25.547 ( 0.000 -8.322 0.000) 8.322 25.547 ( 0.000 8.322 0.000) 8.322 26.550 ( 0.000 -28.694 0.000) 28.694 26.550 ( 0.000 28.694 0.000) 28.694 30.115 ( 0.000 -10.105 0.000) 10.105 30.115 ( 0.000 10.105 0.000) 10.105 30.385 ( 0.000 -0.915 0.000) 0.915 30.385 ( 0.000 0.915 0.000) 0.915 34.684 ( 0.000 -10.927 0.000) 10.927 34.684 ( 0.000 10.927 0.000) 10.927 35.524 ( 0.000 -9.862 0.000) 9.862 35.524 ( 0.000 9.862 0.000) 9.862 36.299 ( 0.000 -0.300 0.000) 0.300 36.299 ( 0.000 0.300 0.000) 0.300 36.452 ( 0.000 -0.567 0.000) 0.567 36.452 ( 0.000 0.567 0.000) 0.567 ======================= Grid point 65 (37/200) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -12.038 -9.390 0.000) 15.267 2.324 ( -12.038 9.390 0.000) 15.267 2.526 ( 0.677 -9.022 0.000) 9.047 2.526 ( 0.677 9.022 0.000) 9.047 2.863 ( 10.216 -9.976 0.000) 14.279 2.863 ( 10.216 9.976 0.000) 14.279 3.179 ( -9.129 -5.027 0.000) 10.422 3.179 ( -9.129 5.027 0.000) 10.422 3.817 ( 5.190 -1.639 0.000) 5.442 3.817 ( 5.190 1.639 0.000) 5.442 3.945 ( -0.330 -5.398 0.000) 5.408 3.945 ( -0.330 5.398 0.000) 5.408 22.480 ( -3.586 -23.927 0.000) 24.194 22.480 ( -3.586 23.927 0.000) 24.194 22.549 ( 0.119 -4.140 0.000) 4.141 22.549 ( 0.119 4.140 0.000) 4.141 23.586 ( -3.545 -4.899 0.000) 6.047 23.586 ( -3.545 4.899 0.000) 6.047 24.858 ( -0.724 -12.375 0.000) 12.396 24.858 ( -0.724 12.375 0.000) 12.396 25.534 ( -1.244 -8.227 0.000) 8.321 25.534 ( -1.244 8.227 0.000) 8.321 26.285 ( -24.277 -24.853 0.000) 34.742 26.285 ( -24.277 24.853 0.000) 34.742 30.271 ( 13.991 -8.115 0.000) 16.174 30.271 ( 13.991 8.115 0.000) 16.174 30.483 ( 9.167 -1.501 0.000) 9.289 30.483 ( 9.167 1.501 0.000) 9.289 34.707 ( 2.304 -10.927 0.000) 11.168 34.707 ( 2.304 10.927 0.000) 11.168 35.496 ( -2.768 -9.991 0.000) 10.367 35.496 ( -2.768 9.991 0.000) 10.367 36.311 ( 1.096 -2.320 0.000) 2.566 36.311 ( 1.096 2.320 0.000) 2.566 36.448 ( -0.444 -1.333 0.000) 1.405 36.448 ( -0.444 1.333 0.000) 1.405 ======================= Grid point 67 (38/200) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -9.744 -8.684 0.000) 13.052 2.100 ( -9.744 8.684 0.000) 13.052 2.505 ( -4.329 -7.392 0.000) 8.566 2.505 ( -4.329 7.392 0.000) 8.566 3.008 ( -5.859 -1.578 0.000) 6.068 3.008 ( -5.859 1.578 0.000) 6.068 3.039 ( 6.948 -10.155 0.000) 12.305 3.039 ( 6.948 10.155 0.000) 12.305 3.915 ( 4.149 -1.542 0.000) 4.426 3.915 ( 4.149 1.542 0.000) 4.426 3.940 ( -0.025 -4.720 0.000) 4.721 3.940 ( -0.025 4.720 0.000) 4.721 22.390 ( -4.764 -17.314 0.000) 17.957 22.390 ( -4.764 17.314 0.000) 17.957 22.547 ( -0.597 -4.569 0.000) 4.607 22.547 ( -0.597 4.569 0.000) 4.607 23.515 ( -2.776 -6.182 0.000) 6.777 23.515 ( -2.776 6.182 0.000) 6.777 24.789 ( -8.392 -19.012 0.000) 20.782 24.789 ( -8.392 19.012 0.000) 20.782 25.502 ( -1.889 -7.976 0.000) 8.196 25.502 ( -1.889 7.976 0.000) 8.196 25.728 ( -26.718 -18.238 0.000) 32.349 25.728 ( -26.718 18.238 0.000) 32.349 30.594 ( 16.742 -5.531 0.000) 17.632 30.594 ( 16.742 5.531 0.000) 17.632 30.712 ( 12.697 -1.432 0.000) 12.778 30.712 ( 12.697 1.432 0.000) 12.778 34.776 ( 4.540 -10.921 0.000) 11.827 34.776 ( 4.540 10.921 0.000) 11.827 35.418 ( -4.871 -10.226 0.000) 11.327 35.418 ( -4.871 10.226 0.000) 11.327 36.337 ( 1.448 -3.706 0.000) 3.979 36.337 ( 1.448 3.706 0.000) 3.979 36.435 ( -0.744 -2.349 0.000) 2.464 36.435 ( -0.744 2.349 0.000) 2.464 ======================= Grid point 69 (39/200) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -3.956 -7.640 0.000) 8.603 1.958 ( -3.956 7.640 0.000) 8.603 2.333 ( -11.653 -6.081 0.000) 13.144 2.333 ( -11.653 6.081 0.000) 13.144 2.982 ( 2.422 -5.515 0.000) 6.023 2.982 ( 2.422 5.515 0.000) 6.023 3.130 ( 2.076 -10.022 0.000) 10.234 3.130 ( 2.076 10.022 0.000) 10.234 3.949 ( 0.904 -3.737 0.000) 3.845 3.949 ( 0.904 3.737 0.000) 3.845 3.975 ( 1.823 -1.616 0.000) 2.436 3.975 ( 1.823 1.616 0.000) 2.436 22.322 ( -1.364 -10.851 0.000) 10.936 22.322 ( -1.364 10.851 0.000) 10.936 22.517 ( -2.554 -5.390 0.000) 5.964 22.517 ( -2.554 5.390 0.000) 5.964 23.501 ( 1.964 -6.381 0.000) 6.676 23.501 ( 1.964 6.381 0.000) 6.676 24.436 ( -25.489 -19.357 0.000) 32.006 24.436 ( -25.489 19.357 0.000) 32.006 25.395 ( -6.409 -11.592 0.000) 13.246 25.395 ( -6.409 11.592 0.000) 13.246 25.460 ( -2.308 -7.490 0.000) 7.837 25.460 ( -2.308 7.490 0.000) 7.837 30.891 ( 12.231 -4.199 0.000) 12.932 30.891 ( 12.231 4.199 0.000) 12.932 30.946 ( 9.879 -0.593 0.000) 9.897 30.946 ( 9.879 0.593 0.000) 9.897 34.886 ( 6.373 -10.894 0.000) 12.621 34.886 ( 6.373 10.894 0.000) 12.621 35.306 ( -6.315 -10.457 0.000) 12.216 35.306 ( -6.315 10.457 0.000) 12.216 36.365 ( 1.214 -4.198 0.000) 4.370 36.365 ( 1.214 4.198 0.000) 4.370 36.419 ( -0.841 -3.189 0.000) 3.298 36.419 ( -0.841 3.189 0.000) 3.298 ======================= Grid point 71 (40/200) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.812 -6.722 0.000) 7.728 1.956 ( 3.812 6.722 0.000) 7.728 2.102 ( -10.322 -6.261 0.000) 12.073 2.102 ( -10.322 6.261 0.000) 12.073 3.057 ( 4.214 -8.194 0.000) 9.214 3.057 ( 4.214 8.194 0.000) 9.214 3.126 ( -2.202 -9.428 0.000) 9.682 3.126 ( -2.202 9.428 0.000) 9.682 3.972 ( 1.263 -2.783 0.000) 3.056 3.972 ( 1.263 2.783 0.000) 3.056 3.990 ( -0.231 -2.062 0.000) 2.075 3.990 ( -0.231 2.062 0.000) 2.075 22.348 ( 3.720 -7.733 0.000) 8.581 22.348 ( 3.720 7.733 0.000) 8.581 22.442 ( -4.818 -6.497 0.000) 8.088 22.442 ( -4.818 6.497 0.000) 8.088 23.617 ( 10.317 -8.103 0.000) 13.119 23.617 ( 10.317 8.103 0.000) 13.119 23.935 ( -21.725 -12.135 0.000) 24.885 23.935 ( -21.725 12.135 0.000) 24.885 25.367 ( 1.426 -6.678 0.000) 6.829 25.367 ( 1.426 6.678 0.000) 6.829 25.411 ( -2.550 -6.671 0.000) 7.142 25.411 ( -2.550 6.671 0.000) 7.142 31.064 ( 4.858 -3.065 0.000) 5.744 31.064 ( 4.858 3.065 0.000) 5.744 31.080 ( 3.156 -1.642 0.000) 3.558 31.080 ( 3.156 1.642 0.000) 3.558 35.024 ( 7.315 -10.822 0.000) 13.062 35.024 ( 7.315 10.822 0.000) 13.062 35.170 ( -7.206 -10.672 0.000) 12.877 35.170 ( -7.206 10.672 0.000) 12.877 36.386 ( 0.920 -4.158 0.000) 4.258 36.386 ( 0.920 4.158 0.000) 4.258 36.403 ( -0.830 -3.799 0.000) 3.889 36.403 ( -0.830 3.799 0.000) 3.889 ======================= Grid point 135 (41/200) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 0.000 21.065) 21.065 0.416 ( 0.000 0.000 21.526) 21.526 0.685 ( 0.000 0.000 35.166) 35.166 2.161 ( 0.000 0.000 -4.666) 4.666 2.416 ( 0.000 0.000 7.755) 7.755 2.553 ( 0.000 0.000 1.473) 1.473 2.701 ( 0.000 0.000 -14.968) 14.968 2.902 ( 0.000 0.000 -1.499) 1.499 3.288 ( 0.000 0.000 13.124) 13.124 3.515 ( 0.000 0.000 -8.188) 8.188 3.784 ( 0.000 0.000 -3.398) 3.398 4.132 ( 0.000 0.000 -0.458) 0.458 22.191 ( 0.000 0.000 4.966) 4.966 23.436 ( 0.000 0.000 -5.413) 5.413 23.626 ( 0.000 0.000 0.599) 0.599 23.792 ( 0.000 0.000 1.275) 1.275 23.826 ( 0.000 0.000 -0.506) 0.506 24.375 ( 0.000 0.000 4.043) 4.043 24.678 ( 0.000 0.000 -9.207) 9.207 25.399 ( 0.000 0.000 -3.986) 3.986 25.868 ( 0.000 0.000 4.229) 4.229 25.888 ( 0.000 0.000 6.339) 6.339 26.874 ( 0.000 0.000 1.497) 1.497 27.364 ( 0.000 0.000 -2.005) 2.005 29.097 ( 0.000 0.000 6.242) 6.242 30.710 ( 0.000 0.000 0.853) 0.853 31.244 ( 0.000 0.000 -9.455) 9.455 31.313 ( 0.000 0.000 -8.174) 8.174 33.378 ( 0.000 0.000 5.317) 5.317 34.155 ( 0.000 0.000 4.190) 4.190 34.429 ( 0.000 0.000 -3.740) 3.740 35.086 ( 0.000 0.000 -3.682) 3.682 36.181 ( 0.000 0.000 4.615) 4.615 36.891 ( 0.000 0.000 -5.593) 5.593 37.831 ( 0.000 0.000 10.663) 10.663 39.297 ( 0.000 0.000 -4.729) 4.729 ======================= Grid point 136 (42/200) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 12.793 0.000 13.137) 18.337 0.602 ( 15.611 0.000 14.690) 21.436 0.926 ( 19.226 0.000 27.193) 33.303 2.185 ( 2.354 0.000 -4.466) 5.048 2.382 ( -3.348 0.000 7.407) 8.129 2.519 ( -3.365 0.000 1.516) 3.691 2.602 ( -8.493 0.000 -13.539) 15.983 2.885 ( -1.692 0.000 -1.565) 2.305 3.149 ( -11.022 0.000 10.560) 15.265 3.611 ( 7.736 0.000 -7.816) 10.996 3.865 ( 4.345 0.000 -3.705) 5.710 4.075 ( -4.596 0.000 0.572) 4.631 22.087 ( -23.077 0.000 26.594) 35.211 22.224 ( -40.626 0.000 43.303) 59.377 23.476 ( 1.397 0.000 -4.083) 4.316 23.605 ( -2.013 0.000 0.696) 2.130 23.799 ( -2.700 0.000 0.370) 2.725 24.386 ( 1.213 0.000 3.139) 3.365 24.696 ( -0.494 0.000 -11.061) 11.072 25.353 ( -4.479 0.000 -3.919) 5.951 25.641 ( -17.970 0.000 6.056) 18.963 25.932 ( -4.402 0.000 3.127) 5.400 27.142 ( 20.304 0.000 0.194) 20.305 27.810 ( 11.472 0.000 -8.155) 14.075 30.648 ( 29.654 0.000 -36.645) 47.140 30.807 ( 40.006 0.000 -40.233) 56.738 31.333 ( 9.777 0.000 -8.702) 13.088 31.467 ( 26.259 0.000 -28.932) 39.072 33.396 ( 1.760 0.000 5.205) 5.494 34.079 ( -6.162 0.000 3.335) 7.007 34.504 ( 6.047 0.000 -2.857) 6.688 35.076 ( -0.963 0.000 -3.646) 3.771 36.185 ( 0.489 0.000 5.085) 5.108 36.879 ( -1.849 0.000 -3.636) 4.079 37.767 ( -8.803 0.000 19.462) 21.360 38.315 ( -51.245 0.000 49.346) 71.141 ======================= Grid point 137 (43/200) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 18.274 0.000 4.410) 18.799 0.953 ( 18.567 0.000 8.915) 20.596 1.346 ( 21.719 0.000 19.549) 29.221 2.243 ( 2.594 0.000 -3.386) 4.265 2.284 ( -6.257 0.000 6.092) 8.733 2.417 ( -8.955 0.000 -9.867) 13.325 2.427 ( -5.038 0.000 1.130) 5.163 2.835 ( -3.330 0.000 -1.759) 3.766 2.910 ( -12.067 0.000 8.523) 14.773 3.715 ( -5.301 0.000 -2.421) 5.827 3.851 ( 1.745 0.000 -8.490) 8.668 4.069 ( 3.714 0.000 0.762) 3.791 21.581 ( -11.697 0.000 36.493) 38.321 21.990 ( -9.023 0.000 6.011) 10.842 23.524 ( 3.347 0.000 -7.388) 8.111 23.554 ( -2.778 0.000 1.089) 2.984 23.723 ( -4.761 0.000 2.119) 5.211 24.429 ( 3.297 0.000 1.144) 3.490 24.621 ( -8.734 0.000 -18.935) 20.852 25.227 ( -7.965 0.000 -3.727) 8.794 25.312 ( -10.955 0.000 15.420) 18.916 25.825 ( -6.330 0.000 4.086) 7.535 27.538 ( 18.161 0.000 -1.620) 18.233 27.976 ( 6.887 0.000 -2.723) 7.405 30.738 ( 2.579 0.000 -1.819) 3.156 31.095 ( -1.160 0.000 -10.009) 10.076 31.641 ( 18.126 0.000 -14.894) 23.460 32.249 ( 29.798 0.000 -63.956) 70.557 33.445 ( 3.128 0.000 4.913) 5.824 33.947 ( -6.715 0.000 3.126) 7.407 34.633 ( 6.461 0.000 -2.573) 6.955 35.048 ( -1.866 0.000 -3.543) 4.005 36.203 ( 1.321 0.000 6.471) 6.605 36.772 ( -9.308 0.000 10.831) 14.281 37.460 ( -11.004 0.000 36.236) 37.870 37.871 ( -6.946 0.000 10.385) 12.494 ======================= Grid point 138 (44/200) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 17.146 0.000 2.417) 17.315 1.321 ( 18.042 0.000 5.990) 19.011 1.731 ( 13.587 0.000 12.714) 18.607 2.165 ( -3.371 0.000 4.645) 5.739 2.189 ( -8.756 0.000 1.522) 8.887 2.277 ( -4.450 0.000 -3.986) 5.974 2.413 ( 4.219 0.000 -2.722) 5.021 2.700 ( -7.853 0.000 6.183) 9.995 2.753 ( -4.795 0.000 -2.072) 5.223 3.429 ( -18.537 0.000 0.292) 18.539 3.979 ( 6.971 0.000 -8.086) 10.676 4.136 ( 2.210 0.000 -1.588) 2.722 21.484 ( -0.232 0.000 21.492) 21.493 21.808 ( -8.939 0.000 7.257) 11.514 23.506 ( -1.770 0.000 1.851) 2.561 23.616 ( 6.154 0.000 -10.488) 12.160 23.621 ( -5.066 0.000 3.309) 6.051 24.347 ( -16.630 0.000 -18.325) 24.746 24.521 ( 5.923 0.000 -0.748) 5.970 25.046 ( -9.808 0.000 -3.411) 10.384 25.246 ( 2.686 0.000 14.807) 15.049 25.681 ( -7.927 0.000 5.384) 9.583 27.846 ( 12.592 0.000 -3.105) 12.970 28.088 ( 3.986 0.000 -2.106) 4.508 30.800 ( 3.547 0.000 -1.141) 3.726 31.038 ( -3.760 0.000 -3.252) 4.971 32.017 ( 18.793 0.000 -16.198) 24.810 32.585 ( 6.501 0.000 -42.411) 42.906 33.517 ( 4.027 0.000 4.535) 6.065 33.818 ( -6.108 0.000 3.380) 6.981 34.754 ( 5.657 0.000 -2.721) 6.277 35.002 ( -2.722 0.000 -3.389) 4.347 36.241 ( 2.540 0.000 8.794) 9.154 36.569 ( -9.519 0.000 19.148) 21.384 37.408 ( 2.902 0.000 13.964) 14.262 37.756 ( -5.648 0.000 5.209) 7.684 ======================= Grid point 139 (45/200) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 13.925 0.000 2.888) 14.222 1.664 ( 16.188 0.000 4.263) 16.740 1.750 ( -8.619 0.000 5.071) 10.001 1.961 ( -13.415 0.000 3.042) 13.755 2.205 ( 3.088 0.000 3.345) 4.553 2.247 ( -0.355 0.000 3.810) 3.827 2.524 ( 6.155 0.000 -2.899) 6.804 2.646 ( -5.862 0.000 -2.478) 6.365 2.695 ( 10.222 0.000 3.609) 10.840 3.033 ( -20.190 0.000 2.080) 20.297 4.094 ( 4.325 0.000 -6.148) 7.517 4.148 ( -1.039 0.000 -3.925) 4.060 21.529 ( 4.302 0.000 14.012) 14.658 21.645 ( -7.153 0.000 9.777) 12.114 23.493 ( 0.654 0.000 2.781) 2.857 23.534 ( -3.390 0.000 3.438) 4.828 23.778 ( 10.235 0.000 -12.707) 16.316 24.027 ( -14.653 0.000 -14.811) 20.835 24.664 ( 8.343 0.000 -2.074) 8.598 24.848 ( -9.838 0.000 -2.905) 10.258 25.355 ( 7.304 0.000 10.440) 12.742 25.516 ( -8.436 0.000 7.406) 11.226 28.040 ( 6.865 0.000 -3.516) 7.713 28.119 ( -1.097 0.000 -2.837) 3.042 30.876 ( 4.037 0.000 -0.596) 4.081 30.958 ( -4.112 0.000 -0.919) 4.214 32.358 ( 14.664 0.000 -20.247) 25.000 32.575 ( -6.464 0.000 -28.200) 28.931 33.604 ( 4.676 0.000 4.140) 6.245 33.704 ( -5.344 0.000 3.750) 6.528 34.857 ( 4.612 0.000 -2.962) 5.481 34.939 ( -3.615 0.000 -3.193) 4.823 36.307 ( 4.153 0.000 12.061) 12.756 36.411 ( -6.408 0.000 16.087) 17.316 37.507 ( 6.178 0.000 6.280) 8.809 37.636 ( -6.413 0.000 4.346) 7.747 ======================= Grid point 144 (46/200) ======================= q-point: ( 0.00 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 12.866 12.832) 18.171 0.602 ( 0.000 15.920 13.770) 21.049 1.029 ( 0.000 25.361 24.703) 35.403 2.225 ( 0.000 5.936 -4.708) 7.576 2.423 ( 0.000 1.089 6.684) 6.772 2.627 ( 0.000 5.762 -0.867) 5.827 2.718 ( 0.000 2.431 -11.406) 11.662 2.968 ( 0.000 6.131 -1.929) 6.427 3.280 ( 0.000 -0.726 12.911) 12.931 3.509 ( 0.000 -0.420 -7.193) 7.205 3.755 ( 0.000 -2.786 -3.330) 4.342 4.111 ( 0.000 -2.036 -0.523) 2.102 22.107 ( 0.000 -55.813 60.740) 82.489 22.215 ( 0.000 2.156 4.620) 5.098 23.393 ( 0.000 -4.252 -4.957) 6.530 23.799 ( 0.000 0.524 -0.031) 0.525 23.835 ( 0.000 0.962 0.908) 1.323 24.384 ( 0.000 1.131 1.803) 2.129 24.706 ( 0.000 -0.747 -8.763) 8.795 25.114 ( 0.000 -19.513 1.321) 19.557 25.892 ( 0.000 2.031 3.749) 4.264 26.236 ( 0.000 15.114 -2.064) 15.254 26.718 ( 0.000 -14.683 3.094) 15.005 28.439 ( 0.000 37.453 -50.294) 62.707 29.139 ( 0.000 3.917 6.177) 7.315 30.678 ( 0.000 -2.894 0.800) 3.002 31.114 ( 0.000 -13.563 -11.413) 17.726 31.220 ( 0.000 -5.404 -3.330) 6.347 33.457 ( 0.000 7.320 5.333) 9.056 34.201 ( 0.000 4.348 4.216) 6.057 35.034 ( 0.000 32.791 -39.030) 50.976 35.181 ( 0.000 10.811 -7.786) 13.323 36.172 ( 0.000 -0.800 4.385) 4.458 36.851 ( 0.000 -3.729 -5.620) 6.745 37.758 ( 0.000 -6.945 10.496) 12.586 38.487 ( 0.000 -47.322 43.216) 64.086 ======================= Grid point 145 (47/200) ======================= q-point: ( 0.11 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 8.106 8.759 14.070) 18.450 0.691 ( 11.671 12.006 9.568) 19.285 1.221 ( 16.121 22.641 19.922) 34.196 2.250 ( 2.406 6.007 -4.501) 7.882 2.391 ( -3.156 1.205 6.521) 7.345 2.569 ( -6.456 2.411 -6.500) 9.473 2.634 ( -6.053 5.236 -4.499) 9.181 2.954 ( -1.771 6.297 -1.457) 6.702 3.141 ( -10.734 -0.608 10.046) 14.715 3.603 ( 7.475 -0.663 -6.963) 10.237 3.836 ( 4.833 -2.688 -3.278) 6.429 4.055 ( -4.599 -1.903 0.443) 4.996 21.788 ( -19.927 -22.209 50.260) 58.450 22.167 ( -5.252 1.757 5.493) 7.800 23.292 ( -2.860 -5.183 -2.464) 6.412 23.794 ( -3.050 -0.355 -0.030) 3.070 23.845 ( -0.671 6.752 -2.002) 7.074 24.386 ( 0.482 0.291 1.033) 1.177 24.686 ( -2.922 -3.049 -11.857) 12.587 25.065 ( -4.017 -16.678 3.215) 17.454 25.833 ( -8.361 8.636 3.023) 12.394 25.970 ( -14.376 3.261 1.988) 14.875 27.011 ( 19.793 -12.031 0.679) 23.172 27.987 ( -11.821 11.292 -8.589) 18.467 30.360 ( 56.375 -21.579 -39.750) 72.276 30.709 ( 5.119 -3.440 -0.224) 6.172 31.240 ( 8.972 -12.916 -8.241) 17.755 31.304 ( 15.638 -6.668 -11.726) 20.652 33.476 ( 1.854 7.368 5.224) 9.220 34.177 ( -2.485 5.673 3.046) 6.901 35.024 ( -0.835 31.662 -34.137) 46.567 35.172 ( -0.834 10.166 -6.617) 12.158 36.176 ( 0.459 -0.849 4.923) 5.016 36.845 ( -1.226 -3.246 -3.975) 5.276 37.696 ( -8.960 -6.822 20.726) 23.588 38.030 ( -28.047 -21.397 43.337) 55.880 ======================= Grid point 146 (48/200) ======================= q-point: ( 0.22 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.402 2.213 8.339) 18.532 0.986 ( 16.322 6.575 7.047) 18.955 1.583 ( 18.845 18.942 14.622) 30.458 2.285 ( -3.673 2.217 2.285) 4.861 2.323 ( 0.103 5.323 -0.177) 5.327 2.395 ( -8.943 -0.451 -8.528) 12.366 2.519 ( -5.548 6.961 0.207) 8.904 2.861 ( -8.844 0.908 5.158) 10.279 2.951 ( -6.076 5.493 1.595) 8.345 3.701 ( -4.969 -1.279 -2.162) 5.567 3.841 ( 1.987 -0.965 -8.150) 8.444 4.045 ( 3.681 -2.336 0.902) 4.452 21.531 ( -6.210 -3.797 31.096) 31.937 22.026 ( -8.437 3.293 5.617) 10.657 23.304 ( 2.884 -8.343 -2.181) 9.093 23.710 ( -5.052 -0.635 1.251) 5.243 23.786 ( -4.155 8.029 -3.902) 9.847 24.408 ( 1.515 -2.315 -1.453) 3.125 24.542 ( -11.427 -8.825 -14.119) 20.194 25.010 ( -0.950 -7.838 1.814) 8.101 25.544 ( -14.666 10.443 6.561) 19.162 25.818 ( -5.564 -0.232 4.279) 7.023 27.379 ( 16.465 -14.986 -1.276) 22.300 27.914 ( 0.982 -5.969 -2.812) 6.671 30.712 ( 3.947 -2.912 -3.875) 6.251 30.943 ( 4.860 -12.909 -8.622) 16.267 31.501 ( 17.253 -12.098 -11.565) 24.037 31.864 ( 29.022 -23.347 -31.616) 48.857 33.529 ( 3.403 7.575 4.928) 9.657 34.100 ( -5.149 8.547 1.315) 10.064 35.012 ( -0.133 27.239 -23.221) 35.793 35.150 ( -1.303 9.724 -5.430) 11.213 36.193 ( 1.343 -0.892 6.431) 6.630 36.760 ( -8.016 -1.214 8.788) 11.956 37.404 ( -10.384 -5.278 34.658) 36.563 37.772 ( -5.256 -9.070 9.194) 13.943 ======================= Grid point 147 (49/200) ======================= q-point: ( 0.33 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 17.667 0.485 3.734) 18.064 1.313 ( 16.151 2.430 6.767) 17.679 1.898 ( 8.418 13.573 8.741) 18.207 2.188 ( -1.368 2.545 4.413) 5.275 2.208 ( -8.847 0.596 -1.436) 8.982 2.308 ( -4.223 4.565 -0.318) 6.227 2.490 ( 3.491 6.207 -3.153) 7.788 2.684 ( -6.275 0.372 6.185) 8.819 2.853 ( -4.938 7.949 -1.789) 9.528 3.432 ( -17.499 0.405 0.445) 17.509 3.965 ( 6.747 -1.358 -7.743) 10.359 4.112 ( 2.315 -2.228 -1.427) 3.515 21.492 ( 1.279 0.881 19.511) 19.573 21.849 ( -8.866 3.937 6.841) 11.870 23.377 ( 3.933 -7.218 -1.373) 8.334 23.603 ( -5.373 -1.653 2.517) 6.160 23.724 ( -0.948 4.807 -6.913) 8.473 24.249 ( -14.885 -9.776 -14.115) 22.724 24.481 ( 4.411 -3.398 -1.496) 5.766 24.964 ( -5.896 -4.682 -6.555) 9.983 25.357 ( -2.549 6.856 13.455) 15.314 25.695 ( -6.820 1.879 5.424) 8.914 27.660 ( 11.659 -17.596 -2.707) 21.281 27.948 ( 1.287 -13.382 -2.247) 13.630 30.789 ( 3.865 -1.061 -1.714) 4.360 30.962 ( -1.106 -6.295 -1.906) 6.669 31.863 ( 17.851 -13.198 -13.219) 25.838 32.260 ( 10.948 -22.813 -26.613) 36.723 33.610 ( 4.649 8.105 4.472) 10.359 33.978 ( -6.774 10.373 1.322) 12.459 35.022 ( 1.085 21.207 -14.052) 25.463 35.121 ( -1.606 10.605 -5.489) 12.049 36.232 ( 2.656 -0.781 8.862) 9.284 36.569 ( -9.438 0.081 18.581) 20.840 37.351 ( 2.575 -5.461 13.517) 14.804 37.674 ( -5.145 -7.702 5.092) 10.570 ======================= Grid point 148 (50/200) ======================= q-point: ( 0.44 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 12.849 1.352 2.733) 13.206 1.608 ( 10.818 -2.142 6.789) 12.951 1.859 ( -4.620 7.548 1.909) 9.053 1.993 ( -12.369 2.934 2.561) 12.968 2.225 ( 1.864 1.867 1.892) 3.247 2.276 ( -1.724 2.943 4.708) 5.814 2.603 ( 7.363 6.760 -3.152) 10.481 2.704 ( 4.713 5.627 1.971) 7.600 2.760 ( 0.518 6.455 -0.170) 6.478 3.059 ( -19.041 2.671 2.409) 19.377 4.076 ( 4.162 -1.730 -5.888) 7.415 4.127 ( -0.912 -2.010 -3.722) 4.327 21.558 ( 5.027 2.763 13.078) 14.280 21.684 ( -7.480 3.726 9.191) 12.422 23.444 ( 2.841 -4.032 1.280) 5.096 23.508 ( -3.917 -2.407 2.559) 5.262 23.778 ( 6.532 -0.987 -10.618) 12.505 23.971 ( -12.315 -5.836 -12.557) 18.531 24.605 ( 7.901 -5.222 -3.232) 10.007 24.788 ( -10.009 -5.129 -5.548) 12.541 25.411 ( 6.000 4.755 10.815) 13.250 25.551 ( -7.447 3.474 7.467) 11.103 27.846 ( 7.017 -18.374 -3.207) 19.928 27.940 ( -2.412 -17.070 -2.798) 17.465 30.863 ( 3.472 -1.038 -0.510) 3.659 30.924 ( -2.550 -2.712 -0.164) 3.727 32.174 ( 12.519 -15.135 -15.893) 25.266 32.333 ( -2.807 -18.564 -20.268) 27.628 33.714 ( 5.817 9.087 3.742) 11.420 33.841 ( -6.789 10.203 2.566) 12.521 35.051 ( 1.706 16.200 -8.973) 18.598 35.087 ( -1.788 12.743 -6.543) 14.436 36.301 ( 4.340 -0.496 12.233) 12.990 36.409 ( -6.608 -0.111 16.247) 17.539 37.442 ( 5.790 -6.137 6.018) 10.364 37.563 ( -5.994 -6.891 4.228) 10.065 ======================= Grid point 153 (51/200) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 18.563 1.927) 18.663 0.968 ( 0.000 18.660 7.940) 20.279 1.580 ( 0.000 26.370 18.132) 32.003 2.386 ( 0.000 9.054 -5.030) 10.358 2.476 ( 0.000 4.518 3.996) 6.032 2.699 ( 0.000 1.700 -12.700) 12.814 2.867 ( 0.000 10.944 2.671) 11.266 3.132 ( 0.000 9.045 -3.779) 9.803 3.260 ( 0.000 -1.144 12.372) 12.424 3.507 ( 0.000 0.567 -3.469) 3.515 3.673 ( 0.000 -5.025 -3.208) 5.961 4.050 ( 0.000 -3.838 -0.715) 3.904 21.504 ( 0.000 -12.483 30.957) 33.379 22.267 ( 0.000 2.643 3.594) 4.461 23.271 ( 0.000 -7.374 -3.999) 8.389 23.804 ( 0.000 -0.199 -1.541) 1.554 23.873 ( 0.000 2.817 2.603) 3.835 24.432 ( 0.000 3.637 -5.334) 6.456 24.505 ( 0.000 -18.597 -5.940) 19.522 24.902 ( 0.000 0.242 1.238) 1.262 25.921 ( 0.000 -1.127 3.877) 4.038 26.323 ( 0.000 -20.799 7.405) 22.078 26.415 ( 0.000 1.328 -2.218) 2.586 28.748 ( 0.000 0.239 -29.570) 29.571 29.250 ( 0.000 6.580 5.864) 8.814 30.603 ( 0.000 -4.152 0.689) 4.208 30.793 ( 0.000 -15.313 -6.964) 16.822 31.088 ( 0.000 -7.569 -4.334) 8.722 33.653 ( 0.000 11.020 5.286) 12.222 34.331 ( 0.000 8.137 4.223) 9.168 35.299 ( 0.000 6.357 -9.017) 11.033 35.596 ( 0.000 15.741 -36.634) 39.873 36.156 ( 0.000 -0.386 2.655) 2.683 36.746 ( 0.000 -6.202 -5.667) 8.402 37.555 ( 0.000 -12.423 10.020) 15.960 37.746 ( 0.000 -26.557 40.640) 48.548 ======================= Grid point 154 (52/200) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.782 16.008 6.568) 17.395 1.005 ( 6.251 17.099 5.290) 18.959 1.726 ( 12.745 24.585 15.196) 31.588 2.409 ( 1.413 8.425 -3.931) 9.404 2.450 ( -1.832 5.331 3.105) 6.435 2.595 ( -9.032 1.100 -12.095) 15.135 2.815 ( -4.829 10.621 3.056) 12.061 3.087 ( -9.262 2.428 7.475) 12.147 3.164 ( -2.087 6.599 -0.755) 6.962 3.592 ( 6.449 -0.119 -3.903) 7.539 3.758 ( 5.779 -4.824 -2.544) 7.946 4.000 ( -4.244 -3.360 0.035) 5.413 21.481 ( -1.612 -7.895 27.437) 28.595 22.225 ( -4.035 3.278 3.916) 6.509 23.209 ( -3.604 -4.234 -2.217) 5.986 23.777 ( -3.356 -1.283 -0.846) 3.691 23.902 ( 0.989 0.744 -0.861) 1.508 24.382 ( -5.993 -8.116 -7.579) 12.619 24.460 ( -3.095 -8.727 -3.140) 9.778 24.924 ( 2.009 1.395 -1.054) 2.664 25.873 ( -7.040 -6.716 5.645) 11.248 26.024 ( -13.691 2.449 2.926) 14.213 26.697 ( 14.628 -17.080 0.841) 22.504 28.129 ( -29.288 1.576 -8.522) 30.543 30.034 ( 41.373 -9.802 -12.912) 44.435 30.641 ( 3.938 -3.310 0.983) 5.238 30.918 ( 11.661 -15.458 -6.218) 20.337 31.173 ( 9.765 -7.301 -6.567) 13.849 33.673 ( 1.897 11.006 5.195) 12.317 34.319 ( -1.283 8.350 3.916) 9.312 35.303 ( 0.401 6.829 -9.055) 11.348 35.577 ( -1.919 16.240 -34.820) 38.469 36.158 ( 0.261 -0.592 3.560) 3.618 36.752 ( 0.191 -5.545 -4.682) 7.259 37.498 ( -9.372 -12.011 25.766) 29.933 37.604 ( -7.577 -18.922 24.207) 31.645 ======================= Grid point 155 (53/200) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 9.329 9.195 9.095) 15.947 1.198 ( 11.761 12.888 3.007) 17.705 2.020 ( 15.384 21.643 11.310) 28.862 2.343 ( -6.018 4.356 3.558) 8.237 2.389 ( -9.997 0.497 -10.114) 14.229 2.495 ( 2.944 9.794 -2.599) 10.552 2.682 ( -7.795 7.404 1.886) 10.915 2.876 ( -9.651 1.922 8.487) 12.995 3.129 ( -2.597 10.799 -2.849) 11.467 3.669 ( -4.126 -1.604 -1.084) 4.557 3.812 ( 3.088 -1.846 -6.979) 7.852 3.979 ( 3.284 -3.849 1.186) 5.196 21.471 ( 1.068 -1.335 20.584) 20.655 22.115 ( -6.843 5.051 4.616) 9.677 23.186 ( 1.460 -3.942 -1.431) 4.441 23.679 ( -6.060 -2.285 0.474) 6.494 23.861 ( -4.761 -0.351 -4.107) 6.297 24.195 ( -11.563 -18.326 -7.959) 23.085 24.413 ( -1.715 -1.079 -2.662) 3.345 24.960 ( 0.483 0.945 -7.691) 7.764 25.609 ( -13.822 -4.760 10.617) 18.068 25.884 ( -4.495 6.882 2.570) 8.612 26.958 ( 11.620 -24.595 -0.262) 27.204 27.731 ( -12.269 -11.753 -3.260) 17.299 30.572 ( 14.026 -9.346 -8.465) 18.861 30.753 ( 6.470 -3.717 1.797) 7.675 31.209 ( 16.832 -14.717 -6.372) 23.249 31.502 ( 20.459 -13.021 -12.766) 27.406 33.728 ( 3.600 11.019 4.944) 12.603 34.274 ( -3.299 9.054 3.270) 10.176 35.314 ( 0.776 8.172 -9.283) 12.392 35.524 ( -3.156 16.997 -29.407) 34.112 36.172 ( 1.262 -0.927 5.734) 5.944 36.719 ( -4.627 -2.829 3.877) 6.666 37.253 ( -9.023 -9.031 30.138) 32.730 37.527 ( -3.020 -14.008 7.375) 16.116 ======================= Grid point 156 (54/200) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 15.222 2.745 7.554) 17.213 1.439 ( 11.682 8.589 3.043) 14.816 2.172 ( -7.287 9.720 0.625) 12.164 2.214 ( -6.872 0.842 -2.763) 7.454 2.298 ( 4.646 8.496 7.054) 11.981 2.457 ( -5.331 9.074 2.231) 10.758 2.614 ( 1.815 5.928 -0.462) 6.217 2.764 ( 0.650 7.731 3.937) 8.700 3.056 ( -4.675 11.353 -2.911) 12.619 3.452 ( -14.171 1.854 1.070) 14.332 3.927 ( 6.085 -2.248 -6.613) 9.264 4.048 ( 2.577 -3.891 -0.889) 4.751 21.527 ( 4.430 2.716 14.794) 15.680 21.961 ( -8.343 6.601 5.743) 12.090 23.254 ( 4.773 -4.821 -1.502) 6.948 23.552 ( -6.246 -3.316 1.082) 7.154 23.751 ( -5.159 -2.645 -5.459) 7.963 23.962 ( -11.108 -16.866 -7.773) 21.640 24.402 ( 1.107 -3.907 -3.753) 5.529 24.880 ( -9.088 -4.401 -12.805) 16.307 25.454 ( -0.741 2.623 14.073) 14.334 25.784 ( -5.695 6.590 3.849) 9.522 27.165 ( 9.190 -28.928 -1.359) 30.383 27.565 ( -5.935 -22.788 -2.118) 23.643 30.751 ( 6.183 -2.628 -3.045) 7.376 30.853 ( 3.205 -2.676 2.057) 4.655 31.557 ( 16.842 -15.039 -7.937) 23.934 31.842 ( 11.811 -17.020 -13.401) 24.673 33.815 ( 5.093 11.133 4.550) 13.061 34.185 ( -5.538 10.115 2.942) 11.901 35.334 ( 1.170 10.180 -10.049) 14.352 35.459 ( -3.177 16.651 -22.067) 27.826 36.212 ( 2.871 -0.987 8.639) 9.157 36.570 ( -8.868 -0.141 15.986) 18.282 37.194 ( 1.705 -9.401 12.104) 15.421 37.457 ( -4.048 -12.783 4.940) 14.289 ======================= Grid point 157 (55/200) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 12.378 -0.281 6.017) 13.766 1.625 ( 4.955 2.907 4.756) 7.458 2.026 ( -4.405 8.226 -1.253) 9.415 2.079 ( -7.445 5.631 1.397) 9.438 2.274 ( -0.100 2.334 1.561) 2.810 2.350 ( -6.252 3.828 4.040) 8.370 2.778 ( 10.898 10.370 -1.786) 15.149 2.879 ( 9.953 10.730 3.783) 15.117 2.945 ( -6.381 10.884 -3.404) 13.068 3.152 ( -15.328 6.605 3.363) 17.026 4.026 ( 3.667 -2.963 -5.029) 6.893 4.069 ( -0.537 -3.504 -3.044) 4.672 21.641 ( 6.835 5.252 10.631) 13.686 21.793 ( -8.233 6.664 7.674) 13.080 23.354 ( 4.755 -4.432 -0.609) 6.529 23.443 ( -4.635 -3.691 0.698) 5.966 23.695 ( 0.321 -7.692 -6.690) 10.200 23.774 ( -7.219 -12.957 -7.640) 16.684 24.476 ( 6.564 -6.833 -5.646) 11.029 24.659 ( -11.222 -7.298 -8.951) 16.104 25.525 ( 6.095 5.932 9.548) 12.786 25.658 ( -6.784 6.629 5.989) 11.218 27.328 ( 7.215 -30.317 -1.963) 31.225 27.455 ( -5.638 -28.572 -2.065) 29.196 30.846 ( 3.363 -0.382 -0.238) 3.392 30.882 ( -0.245 -0.624 1.479) 1.623 31.839 ( 10.632 -15.943 -9.567) 21.418 31.954 ( -0.416 -16.971 -11.527) 20.520 33.929 ( 6.311 11.235 3.976) 13.485 34.061 ( -6.686 10.966 3.296) 13.260 35.362 ( 1.696 12.559 -11.959) 17.425 35.403 ( -2.440 14.928 -15.816) 21.885 36.289 ( 4.818 -0.661 12.258) 13.187 36.407 ( -7.119 -0.106 15.961) 17.477 37.267 ( 4.794 -10.453 5.240) 12.637 37.367 ( -4.940 -11.623 3.963) 13.236 ======================= Grid point 162 (56/200) ======================= q-point: ( 0.00 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 18.496 -2.776) 18.703 1.350 ( 0.000 18.160 5.064) 18.852 2.047 ( 0.000 17.434 15.937) 23.621 2.568 ( 0.000 7.821 -6.094) 9.915 2.644 ( 0.000 12.717 0.386) 12.723 2.732 ( 0.000 1.846 -12.678) 12.812 3.097 ( 0.000 9.202 5.488) 10.714 3.251 ( 0.000 2.060 10.899) 11.092 3.294 ( 0.000 5.662 -6.628) 8.718 3.506 ( 0.000 -4.712 -0.247) 4.718 3.612 ( 0.000 3.995 0.010) 3.995 3.957 ( 0.000 -5.049 -0.976) 5.143 21.393 ( 0.000 -0.254 13.939) 13.941 22.315 ( 0.000 1.922 1.823) 2.649 23.102 ( 0.000 -8.687 -2.693) 9.095 23.786 ( 0.000 -1.583 -1.771) 2.375 23.952 ( 0.000 4.764 1.648) 5.041 24.129 ( 0.000 -16.110 -1.687) 16.199 24.506 ( 0.000 1.450 -17.631) 17.690 24.961 ( 0.000 3.868 -1.928) 4.322 25.674 ( 0.000 -19.390 19.789) 27.705 26.095 ( 0.000 -2.143 2.280) 3.129 26.285 ( 0.000 -13.086 -1.286) 13.149 28.599 ( 0.000 -13.190 -18.003) 22.317 29.399 ( 0.000 7.714 5.023) 9.205 30.518 ( 0.000 -3.881 0.691) 3.942 30.543 ( 0.000 -8.505 -3.939) 9.373 30.914 ( 0.000 -9.028 -4.161) 9.940 33.887 ( 0.000 11.226 4.970) 12.277 34.529 ( 0.000 10.970 4.050) 11.693 35.365 ( 0.000 -0.276 -8.470) 8.475 35.789 ( 0.000 4.158 -21.358) 21.760 36.170 ( 0.000 1.905 -3.217) 3.739 36.610 ( 0.000 -6.630 -5.645) 8.708 37.264 ( 0.000 -15.338 9.265) 17.919 37.306 ( 0.000 -17.596 28.376) 33.389 ======================= Grid point 163 (57/200) ======================= q-point: ( 0.11 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -2.091 16.836 1.859) 17.067 1.366 ( 3.569 17.477 2.709) 18.042 2.157 ( 9.492 15.481 13.461) 22.604 2.571 ( -3.331 4.891 -6.946) 9.125 2.626 ( -1.759 12.865 -0.922) 13.017 2.648 ( -3.406 5.677 -8.584) 10.840 2.990 ( -10.303 3.074 6.068) 12.346 3.134 ( -7.182 6.836 7.449) 12.401 3.345 ( 3.009 8.030 -6.717) 10.893 3.620 ( 5.386 1.493 2.708) 6.211 3.645 ( 4.841 -3.804 -2.024) 6.481 3.923 ( -2.804 -3.816 -0.448) 4.757 21.415 ( 2.272 0.670 13.243) 13.453 22.290 ( -2.449 2.825 2.268) 4.373 23.093 ( -0.516 -7.065 -2.300) 7.447 23.738 ( -4.849 -2.770 -0.848) 5.648 23.926 ( -3.340 1.778 0.070) 3.785 24.031 ( -8.563 -16.149 -3.389) 18.590 24.482 ( -2.411 1.275 -15.061) 15.306 24.984 ( 1.567 3.028 -4.133) 5.358 25.592 ( -7.241 -16.135 18.861) 25.855 26.070 ( -2.176 1.215 1.133) 2.737 26.332 ( 4.084 -18.484 0.240) 18.931 28.047 ( -35.624 -9.280 -8.630) 37.811 29.923 ( 32.440 -1.788 -2.669) 32.598 30.576 ( 5.523 -2.971 0.937) 6.341 30.659 ( 11.119 -9.047 -3.333) 14.717 31.005 ( 9.192 -8.834 -5.129) 13.742 33.906 ( 1.877 11.224 4.901) 12.390 34.519 ( -1.110 10.938 3.932) 11.676 35.378 ( 1.279 0.083 -8.616) 8.711 35.779 ( -1.014 4.535 -21.717) 22.209 36.165 ( -0.314 1.504 -1.579) 2.203 36.628 ( 1.507 -6.144 -5.156) 8.161 37.217 ( -8.089 -15.060 27.806) 32.641 37.254 ( -0.975 -14.991 8.788) 17.404 ======================= Grid point 164 (58/200) ======================= q-point: ( 0.22 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 2.240 12.402 6.575) 14.214 1.487 ( 7.656 14.630 0.745) 16.529 2.344 ( 5.955 7.804 7.298) 12.232 2.400 ( -9.090 1.373 -7.113) 11.624 2.549 ( -5.293 13.752 2.420) 14.933 2.702 ( 3.617 9.565 -3.282) 10.740 2.781 ( -7.008 5.253 3.262) 9.346 2.987 ( -7.315 7.616 5.450) 11.883 3.361 ( -1.517 10.842 -5.190) 12.115 3.655 ( -2.951 0.972 1.588) 3.489 3.758 ( 5.643 -3.814 -3.919) 7.858 3.905 ( 2.252 -2.543 1.008) 3.543 21.486 ( 4.814 2.756 11.525) 12.790 22.220 ( -4.530 4.934 3.146) 7.400 23.100 ( 1.498 -5.344 -1.983) 5.893 23.602 ( -8.244 -6.511 1.245) 10.578 23.779 ( -10.490 -10.677 -4.858) 15.737 23.865 ( -7.772 -6.492 -2.985) 10.558 24.411 ( -4.542 -0.484 -11.607) 12.473 24.961 ( -5.861 -2.298 -7.928) 10.124 25.463 ( -3.118 -6.422 16.610) 18.079 26.012 ( -3.747 4.220 0.416) 5.658 26.428 ( 5.327 -25.409 0.997) 25.981 27.433 ( -24.837 -17.147 -3.919) 30.435 30.438 ( 18.748 -3.462 -2.601) 19.242 30.713 ( 7.414 -0.976 1.614) 7.651 30.946 ( 16.537 -10.186 -2.939) 19.644 31.267 ( 15.622 -10.490 -7.138) 20.126 33.961 ( 3.644 11.262 4.702) 12.737 34.481 ( -2.826 10.930 3.664) 11.870 35.415 ( 2.431 1.147 -9.175) 9.560 35.747 ( -2.235 5.402 -21.783) 22.554 36.167 ( 0.739 0.731 2.187) 2.421 36.644 ( -1.009 -4.313 -0.495) 4.457 37.043 ( -7.401 -11.271 22.782) 26.473 37.225 ( -1.966 -14.602 7.112) 16.360 ======================= Grid point 165 (59/200) ======================= q-point: ( 0.33 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.410 6.219 7.588) 13.594 1.637 ( 6.400 10.109 1.257) 12.030 2.235 ( -5.440 1.829 -5.188) 7.736 2.332 ( -6.533 6.880 1.097) 9.551 2.414 ( -7.136 1.749 5.182) 8.991 2.646 ( -9.387 7.754 2.767) 12.486 2.830 ( 8.496 14.640 0.113) 16.927 2.951 ( 5.360 9.768 1.769) 11.281 3.296 ( -4.722 11.222 -4.388) 12.941 3.523 ( -8.737 5.375 2.521) 10.563 3.874 ( 5.426 -3.078 -4.220) 7.532 3.967 ( 2.691 -3.234 0.044) 4.208 21.607 ( 7.246 5.024 9.446) 12.922 22.106 ( -6.972 7.095 4.197) 10.797 23.158 ( 4.245 -5.359 -2.371) 7.236 23.447 ( -6.096 -9.455 1.897) 11.408 23.571 ( -9.754 -12.056 -6.599) 16.853 23.695 ( -9.126 -6.504 -2.024) 11.388 24.325 ( -3.027 -3.930 -9.309) 10.548 24.746 ( -13.723 -8.395 -7.345) 17.685 25.501 ( 5.675 2.299 10.007) 11.731 25.920 ( -5.496 5.306 0.789) 7.680 26.542 ( 6.061 -29.795 0.618) 30.412 27.051 ( -14.236 -26.213 -1.522) 29.868 30.713 ( 9.974 -0.499 -0.521) 10.000 30.843 ( 5.002 0.872 2.015) 5.463 31.280 ( 15.947 -11.414 -3.838) 19.983 31.542 ( 10.256 -12.687 -7.290) 17.869 34.050 ( 5.188 11.373 4.391) 13.249 34.404 ( -4.875 11.079 3.486) 12.596 35.473 ( 3.305 2.787 -10.488) 11.344 35.691 ( -3.272 6.057 -19.932) 21.087 36.201 ( 2.745 0.127 6.339) 6.909 36.555 ( -7.275 -1.494 11.177) 13.419 36.980 ( 0.832 -11.041 9.257) 14.432 37.176 ( -2.955 -13.821 5.171) 15.050 ======================= Grid point 166 (60/200) ======================= q-point: ( 0.44 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 10.519 1.792 6.917) 12.717 1.692 ( -2.073 3.466 4.097) 5.753 2.179 ( -0.216 6.893 -2.677) 7.398 2.240 ( -3.730 9.379 -0.818) 10.127 2.298 ( -0.396 -0.153 1.962) 2.007 2.427 ( -10.383 3.631 3.115) 11.432 3.015 ( 8.766 11.405 -3.359) 14.772 3.111 ( 7.765 11.355 2.487) 13.979 3.186 ( -4.578 12.105 -2.725) 13.226 3.332 ( -10.167 10.506 4.121) 15.190 3.961 ( 3.107 -3.225 -3.243) 5.529 3.993 ( -0.142 -3.341 -1.683) 3.744 21.769 ( 8.798 6.973 7.410) 13.452 21.947 ( -8.746 7.919 5.610) 13.064 23.257 ( 5.390 -5.772 -3.152) 8.503 23.368 ( -4.595 -3.178 -0.661) 5.626 23.430 ( -1.078 -17.061 -4.107) 17.581 23.520 ( -7.743 -10.134 -1.161) 12.806 24.329 ( 3.974 -7.561 -7.988) 11.695 24.485 ( -11.260 -9.393 -7.393) 16.422 25.642 ( 7.781 4.936 5.293) 10.627 25.793 ( -7.109 5.537 2.401) 9.325 26.671 ( 6.996 -31.726 0.076) 32.489 26.828 ( -8.993 -30.903 -0.468) 32.189 30.857 ( 4.643 1.564 0.941) 4.989 30.899 ( 0.449 1.926 1.766) 2.651 31.544 ( 9.736 -12.527 -4.990) 16.632 31.645 ( -0.074 -13.147 -6.241) 14.553 34.165 ( 6.231 11.445 3.990) 13.628 34.291 ( -6.224 11.325 3.615) 13.418 35.544 ( 3.769 4.574 -12.941) 14.233 35.620 ( -3.775 5.826 -16.447) 17.852 36.279 ( 5.056 -0.193 10.362) 11.531 36.402 ( -7.268 -0.458 13.410) 15.260 37.033 ( 3.680 -11.752 3.904) 12.919 37.109 ( -3.722 -12.793 3.711) 13.830 ======================= Grid point 171 (61/200) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 16.726 -5.180) 17.510 1.709 ( 0.000 16.585 3.438) 16.938 2.297 ( 0.000 8.426 13.037) 15.523 2.680 ( 0.000 2.655 -7.788) 8.229 2.760 ( 0.000 1.144 -9.802) 9.868 2.990 ( 0.000 17.813 -1.828) 17.907 3.158 ( 0.000 0.365 7.884) 7.892 3.333 ( 0.000 -6.602 1.496) 6.770 3.399 ( 0.000 1.311 -6.654) 6.782 3.426 ( 0.000 11.811 7.697) 14.098 3.762 ( 0.000 5.994 1.575) 6.197 3.862 ( 0.000 -1.975 0.358) 2.007 21.458 ( 0.000 6.213 4.682) 7.780 22.348 ( 0.000 1.284 -0.778) 1.501 22.926 ( 0.000 -8.098 -1.309) 8.203 23.736 ( 0.000 -3.444 -2.583) 4.304 23.864 ( 0.000 -9.688 -0.352) 9.694 24.040 ( 0.000 0.274 -8.407) 8.411 24.381 ( 0.000 -11.415 -12.327) 16.800 25.032 ( 0.000 2.663 -2.787) 3.855 25.464 ( 0.000 2.274 26.261) 26.360 25.942 ( 0.000 -18.142 0.690) 18.155 26.052 ( 0.000 -3.382 -0.157) 3.386 28.237 ( 0.000 -21.529 -11.101) 24.222 29.561 ( 0.000 7.853 3.350) 8.538 30.430 ( 0.000 -3.330 -3.248) 4.651 30.450 ( 0.000 -2.616 1.114) 2.844 30.726 ( 0.000 -8.982 -2.757) 9.396 34.106 ( 0.000 9.975 4.240) 10.839 34.774 ( 0.000 12.635 3.533) 13.120 35.290 ( 0.000 -6.546 -6.594) 9.292 35.810 ( 0.000 -1.218 -9.380) 9.459 36.223 ( 0.000 2.722 -8.384) 8.814 36.486 ( 0.000 -5.120 -5.444) 7.473 36.944 ( 0.000 -15.203 8.181) 17.264 36.988 ( 0.000 -13.696 18.957) 23.387 ======================= Grid point 172 (62/200) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -4.799 15.351 -0.213) 16.085 1.714 ( 2.102 16.130 0.896) 16.291 2.377 ( 6.394 7.841 9.631) 13.969 2.606 ( -8.583 0.104 -8.639) 12.178 2.763 ( 2.793 3.476 -5.984) 7.463 2.923 ( -9.714 6.363 3.286) 12.069 3.046 ( -2.877 11.389 0.606) 11.762 3.306 ( -7.433 6.678 3.569) 10.611 3.464 ( 8.592 -0.271 -0.407) 8.606 3.513 ( 5.023 -0.093 -1.841) 5.350 3.755 ( -0.681 5.688 2.290) 6.170 3.869 ( 0.828 0.367 1.261) 1.553 21.489 ( 3.147 6.305 4.731) 8.488 22.340 ( -0.795 2.075 -0.096) 2.224 22.932 ( 0.614 -8.118 -1.856) 8.350 23.639 ( -11.144 -7.358 1.059) 13.395 23.753 ( -7.039 -9.587 -4.977) 12.893 23.999 ( -4.652 2.533 -5.914) 7.939 24.376 ( -1.498 -11.035 -13.036) 17.146 25.041 ( -0.400 3.279 -1.769) 3.747 25.411 ( -4.000 0.459 22.550) 22.907 25.938 ( -0.207 -18.119 1.482) 18.180 26.058 ( 0.192 -3.519 -0.446) 3.552 27.760 ( -36.850 -18.185 -7.521) 41.775 29.932 ( 26.731 2.096 0.643) 26.821 30.506 ( 7.794 -3.406 -0.179) 8.508 30.555 ( 9.444 -2.116 -0.987) 9.729 30.819 ( 9.087 -8.911 -3.321) 13.153 34.125 ( 1.940 10.031 4.193) 11.044 34.762 ( -1.330 12.437 3.441) 12.972 35.309 ( 1.833 -6.363 -6.708) 9.426 35.805 ( -0.637 -1.220 -10.089) 10.182 36.211 ( -0.957 2.427 -6.787) 7.272 36.512 ( 2.187 -4.911 -5.146) 7.441 36.902 ( -4.280 -14.781 13.114) 20.218 36.974 ( -1.050 -12.566 13.157) 18.224 ======================= Grid point 173 (63/200) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -2.674 12.353 4.620) 13.457 1.785 ( 4.182 14.026 -0.682) 14.652 2.403 ( -8.982 0.224 -6.329) 10.990 2.494 ( 3.003 6.441 4.156) 8.232 2.654 ( -13.788 -0.111 5.601) 14.883 2.868 ( 5.246 5.782 -5.369) 9.475 3.020 ( -4.583 9.610 -0.332) 10.652 3.152 ( -3.177 11.695 3.775) 12.693 3.544 ( -0.660 5.914 -5.960) 8.422 3.653 ( 8.403 -4.744 0.052) 9.650 3.732 ( -1.926 5.780 3.057) 6.816 3.901 ( 2.334 2.398 2.420) 4.130 21.583 ( 6.161 6.589 4.745) 10.193 22.311 ( -2.266 3.828 1.236) 4.617 22.953 ( 1.624 -8.561 -2.957) 9.202 23.360 ( -14.116 -14.057 1.625) 19.987 23.613 ( -7.703 -5.399 -4.303) 10.344 23.853 ( -9.709 2.462 -3.629) 10.653 24.302 ( -5.592 -10.941 -13.970) 18.605 24.929 ( -11.906 2.715 4.345) 12.961 25.398 ( 3.882 -1.116 10.327) 11.089 25.943 ( 0.722 -18.961 2.000) 19.080 26.045 ( -1.662 -3.410 -0.925) 3.904 27.033 ( -32.878 -21.386 -4.185) 39.444 30.409 ( 19.889 0.153 0.087) 19.889 30.700 ( 10.203 -0.544 1.167) 10.284 30.799 ( 14.378 -4.224 -0.890) 15.012 31.061 ( 13.876 -9.501 -4.178) 17.328 34.183 ( 3.817 10.216 4.043) 11.631 34.718 ( -3.079 11.969 3.232) 12.774 35.363 ( 3.544 -5.794 -7.122) 9.841 35.781 ( -1.803 -1.306 -11.672) 11.883 36.199 ( 0.034 1.982 -2.908) 3.519 36.551 ( 0.889 -4.419 -2.164) 5.000 36.797 ( -5.009 -12.075 13.552) 18.829 36.949 ( -1.542 -12.044 8.388) 14.758 ======================= Grid point 174 (64/200) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.872 7.968 6.480) 10.975 1.840 ( 0.106 9.300 0.336) 9.307 2.275 ( -2.637 1.255 -3.138) 4.287 2.402 ( -10.273 0.269 3.827) 10.966 2.503 ( -2.267 7.796 -0.760) 8.154 2.762 ( -13.495 3.732 2.407) 14.207 3.035 ( 7.399 4.423 -6.442) 10.761 3.229 ( 7.033 16.065 3.541) 17.891 3.487 ( -4.352 6.379 -5.463) 9.459 3.669 ( -4.276 7.964 3.813) 9.811 3.805 ( 6.480 -2.207 -0.848) 6.897 3.945 ( 1.635 1.299 1.824) 2.773 21.732 ( 8.665 7.019 4.488) 12.020 22.240 ( -5.138 5.681 2.392) 8.024 22.999 ( 2.959 -10.515 -3.984) 11.627 23.141 ( -7.026 -15.042 1.141) 16.641 23.452 ( -7.920 -3.351 -2.720) 9.020 23.629 ( -12.243 0.714 -0.558) 12.276 24.185 ( -5.014 -10.987 -13.589) 18.180 24.616 ( -17.527 -1.752 3.116) 17.888 25.530 ( 8.194 -0.447 3.640) 8.977 25.945 ( -2.463 -9.135 -0.726) 9.489 26.013 ( 0.578 -15.047 0.918) 15.086 26.512 ( -19.236 -25.608 -0.799) 32.038 30.726 ( 12.179 1.397 0.875) 12.290 30.873 ( 6.636 1.899 1.428) 7.048 31.094 ( 14.187 -6.678 -1.189) 15.725 31.308 ( 9.500 -10.143 -3.868) 14.425 34.276 ( 5.428 10.523 3.782) 12.430 34.638 ( -4.994 11.494 3.086) 12.907 35.447 ( 4.828 -4.840 -8.049) 10.560 35.730 ( -3.330 -1.668 -12.490) 13.033 36.219 ( 2.049 1.416 1.698) 3.015 36.506 ( -5.323 -3.190 7.335) 9.608 36.756 ( 1.074 -10.157 4.659) 11.226 36.912 ( -2.191 -11.556 5.564) 13.011 ======================= Grid point 175 (65/200) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 8.027 4.177 6.386) 11.075 1.770 ( -6.526 4.241 3.799) 8.661 2.272 ( 0.196 -2.132 2.566) 3.342 2.296 ( -0.245 3.303 -1.665) 3.707 2.438 ( -1.922 9.533 -2.678) 10.086 2.521 ( -9.204 6.429 0.757) 11.252 3.192 ( 7.834 5.076 -6.281) 11.251 3.320 ( -2.712 7.113 -3.563) 8.405 3.438 ( 3.814 12.582 2.032) 13.304 3.562 ( -6.325 11.292 4.250) 13.622 3.908 ( 3.773 -1.148 -0.359) 3.960 3.955 ( -0.873 -0.042 0.638) 1.082 21.919 ( 9.748 7.328 3.924) 12.811 22.104 ( -8.367 6.975 3.231) 11.362 23.063 ( 2.883 -14.420 -4.196) 15.293 23.083 ( 0.077 -13.979 -1.606) 14.071 23.330 ( -2.960 -0.700 -0.200) 3.048 23.398 ( -9.423 -0.672 1.650) 9.590 24.151 ( 2.572 -10.069 -9.573) 14.129 24.302 ( -12.436 -7.256 -3.063) 14.720 25.697 ( 8.125 -0.614 0.527) 8.166 25.844 ( -6.560 -1.981 -1.574) 7.031 26.081 ( 5.487 -24.129 1.996) 24.825 26.232 ( -10.003 -25.788 1.489) 27.701 30.903 ( 5.623 2.590 1.404) 6.348 30.950 ( 0.841 2.800 1.527) 3.298 31.327 ( 8.445 -8.497 -2.013) 12.148 31.410 ( 0.453 -9.757 -2.966) 10.208 34.395 ( 6.391 10.858 3.448) 13.063 34.524 ( -6.280 11.152 3.165) 13.184 35.550 ( 5.252 -3.633 -9.660) 11.580 35.650 ( -4.648 -2.470 -11.543) 12.687 36.281 ( 4.205 0.417 5.916) 7.270 36.385 ( -5.997 -1.222 8.906) 10.806 36.803 ( 2.954 -10.138 2.171) 10.780 36.862 ( -2.780 -10.857 3.368) 11.702 ======================= Grid point 180 (66/200) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 14.262 -6.438) 15.648 2.030 ( 0.000 14.453 2.398) 14.650 2.448 ( 0.000 6.889 10.149) 12.266 2.676 ( 0.000 -2.774 -8.581) 9.018 2.759 ( 0.000 -1.635 -6.309) 6.517 3.138 ( 0.000 1.347 6.085) 6.233 3.149 ( 0.000 -9.602 1.803) 9.770 3.365 ( 0.000 14.478 -4.311) 15.106 3.445 ( 0.000 0.878 -2.020) 2.202 3.669 ( 0.000 11.409 8.701) 14.349 3.733 ( 0.000 -2.874 -3.251) 4.339 3.970 ( 0.000 6.536 4.489) 7.929 21.643 ( 0.000 11.697 -1.944) 11.858 22.370 ( 0.000 0.842 -4.279) 4.361 22.779 ( 0.000 -6.047 0.354) 6.057 23.581 ( 0.000 -17.715 -10.783) 20.739 23.718 ( 0.000 -4.933 -0.127) 4.934 23.778 ( 0.000 -13.130 -6.658) 14.722 24.399 ( 0.000 9.984 5.665) 11.479 25.058 ( 0.000 -0.429 -2.601) 2.637 25.616 ( 0.000 -12.024 2.393) 12.260 25.686 ( 0.000 16.458 15.833) 22.837 25.938 ( 0.000 -7.651 -0.782) 7.691 27.734 ( 0.000 -26.741 -5.756) 27.353 29.721 ( 0.000 7.705 0.662) 7.733 30.359 ( 0.000 -4.722 -5.812) 7.488 30.414 ( 0.000 -0.790 2.221) 2.358 30.565 ( 0.000 -5.909 1.453) 6.084 34.300 ( 0.000 9.043 3.106) 9.562 35.041 ( 0.000 13.042 2.592) 13.297 35.116 ( 0.000 -9.917 -4.144) 10.748 35.761 ( 0.000 -3.329 -4.193) 5.354 36.266 ( 0.000 1.203 -8.577) 8.661 36.404 ( 0.000 -2.917 -4.805) 5.621 36.659 ( 0.000 -11.980 6.548) 13.653 36.736 ( 0.000 -10.704 12.158) 16.198 ======================= Grid point 181 (67/200) ======================= q-point: ( 0.11 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -6.922 13.150 -0.881) 14.886 2.024 ( 1.089 13.913 -0.414) 13.962 2.528 ( 5.511 7.005 5.037) 10.238 2.579 ( -8.775 -2.822 -4.896) 10.437 2.764 ( 1.003 -2.823 -3.172) 4.364 2.962 ( -9.189 1.607 -0.057) 9.329 3.294 ( -4.068 -0.906 -0.608) 4.212 3.316 ( 4.394 -1.194 1.632) 4.837 3.453 ( 0.949 8.799 0.013) 8.850 3.652 ( 1.787 7.302 -0.505) 7.535 3.804 ( 3.692 2.577 1.575) 4.770 3.973 ( 0.427 6.236 5.059) 8.041 21.671 ( 2.776 11.229 -1.578) 11.674 22.375 ( 0.427 1.314 -3.406) 3.676 22.777 ( -0.175 -6.617 -0.653) 6.651 23.420 ( -16.536 -16.112 -3.428) 23.340 23.583 ( -3.532 -6.338 -3.926) 8.250 23.874 ( 1.374 -11.209 -9.575) 14.806 24.347 ( -5.404 9.278 6.018) 12.308 25.093 ( 3.030 0.498 -2.808) 4.161 25.547 ( -10.070 7.435 10.437) 16.297 25.630 ( -1.479 -6.854 6.386) 9.484 25.938 ( -0.112 -8.118 -0.863) 8.164 27.322 ( -35.061 -23.723 -4.984) 42.625 29.995 ( 21.984 3.922 0.098) 22.332 30.454 ( 9.211 -2.445 -2.172) 9.774 30.518 ( 9.570 -1.850 -0.008) 9.747 30.657 ( 8.732 -6.080 0.656) 10.660 34.321 ( 2.094 9.126 3.081) 9.857 35.023 ( -1.866 12.675 2.475) 13.049 35.137 ( 2.114 -9.795 -4.157) 10.849 35.751 ( -1.065 -3.733 -4.710) 6.104 36.250 ( -1.094 1.282 -7.188) 7.383 36.431 ( 2.226 -2.956 -4.631) 5.928 36.630 ( -2.577 -11.116 7.862) 13.857 36.736 ( -0.175 -10.421 10.072) 14.494 ======================= Grid point 182 (68/200) ======================= q-point: ( 0.22 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -5.795 11.135 3.521) 13.037 2.056 ( 0.893 12.030 -1.761) 12.191 2.379 ( -8.756 -2.700 -2.493) 9.496 2.607 ( -4.019 2.316 1.694) 4.938 2.677 ( -4.030 4.759 2.537) 6.732 2.929 ( 5.222 0.433 -7.176) 8.885 3.077 ( -13.301 -0.220 1.453) 13.382 3.418 ( 3.023 1.791 -1.763) 3.931 3.517 ( 4.291 4.831 1.634) 6.665 3.720 ( 4.401 6.274 -2.827) 8.168 3.850 ( 0.937 5.498 2.823) 6.251 3.989 ( 1.087 5.082 5.406) 7.499 21.754 ( 5.565 9.954 -0.712) 11.426 22.376 ( -0.664 2.398 -1.447) 2.878 22.770 ( -0.610 -8.621 -3.113) 9.186 23.090 ( -14.543 -12.470 2.079) 19.270 23.500 ( -5.101 -5.443 -3.677) 8.317 23.831 ( -4.795 -8.502 -12.452) 15.822 24.178 ( -11.324 5.744 5.871) 13.989 25.079 ( -10.819 9.898 0.643) 14.678 25.355 ( -2.119 -3.721 5.998) 7.369 25.613 ( -0.595 -11.786 3.452) 12.295 25.926 ( -1.427 -8.653 -1.355) 8.874 26.570 ( -35.797 -22.929 -3.668) 42.669 30.430 ( 19.776 1.670 -0.105) 19.847 30.692 ( 13.221 -0.075 1.282) 13.284 30.748 ( 12.435 -1.672 -0.598) 12.561 30.884 ( 13.060 -7.234 -1.167) 14.975 34.383 ( 4.129 9.370 2.980) 10.665 34.966 ( -3.803 11.901 2.268) 12.699 35.199 ( 4.109 -9.511 -4.307) 11.221 35.715 ( -2.651 -4.849 -5.854) 8.050 36.237 ( -0.033 1.656 -4.235) 4.548 36.471 ( 0.974 -3.201 -1.759) 3.780 36.574 ( -2.184 -8.991 6.836) 11.504 36.725 ( -0.913 -9.764 7.199) 12.166 ======================= Grid point 183 (69/200) ======================= q-point: ( 0.33 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.028 8.458 5.276) 9.968 2.013 ( -5.347 7.281 -0.690) 9.060 2.257 ( -4.322 -2.511 3.000) 5.830 2.430 ( -7.233 1.800 -0.277) 7.459 2.665 ( -2.096 7.351 -2.979) 8.204 2.825 ( -10.228 3.406 1.357) 10.865 3.065 ( 7.677 -0.966 -7.381) 10.694 3.440 ( -1.510 -1.801 -4.348) 4.942 3.594 ( 4.234 10.189 1.481) 11.133 3.812 ( 2.951 5.724 2.640) 6.960 3.854 ( 1.016 6.047 0.992) 6.212 4.005 ( 0.222 3.805 4.434) 5.847 21.890 ( 7.964 8.218 0.153) 11.444 22.336 ( -3.682 3.581 0.257) 5.142 22.747 ( -1.333 -12.313 -3.839) 12.967 22.893 ( -5.061 -9.806 3.015) 11.439 23.393 ( -4.875 -1.946 -1.949) 5.599 23.699 ( -9.185 2.397 -6.778) 11.664 23.953 ( -8.239 -6.100 -0.753) 10.279 24.673 ( -25.394 5.669 2.038) 26.099 25.446 ( 7.207 -8.144 -0.049) 10.875 25.607 ( 0.099 -13.524 2.596) 13.771 25.864 ( -5.362 -9.348 -3.266) 11.261 26.030 ( -16.631 -20.117 0.199) 26.102 30.761 ( 13.321 1.971 0.481) 13.474 30.914 ( 8.062 1.875 1.312) 8.380 30.998 ( 12.097 -2.931 0.104) 12.448 31.125 ( 9.772 -7.567 -1.625) 12.465 34.484 ( 5.837 9.741 2.771) 11.690 34.872 ( -5.586 11.149 2.154) 12.654 35.298 ( 5.666 -9.052 -4.723) 11.677 35.644 ( -4.418 -6.248 -6.552) 10.074 36.252 ( 1.505 1.748 -0.791) 2.438 36.438 ( -3.591 -2.913 5.398) 7.107 36.578 ( 1.945 -7.015 0.553) 7.301 36.701 ( -1.525 -9.063 4.730) 10.336 ======================= Grid point 184 (70/200) ======================= q-point: ( 0.44 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 5.871 5.975 5.411) 9.972 1.870 ( -8.215 5.446 3.219) 10.368 2.211 ( 1.250 -3.752 3.035) 4.985 2.305 ( -6.690 -1.870 0.848) 6.998 2.631 ( 0.965 9.279 -4.216) 10.237 2.693 ( -4.430 9.469 -2.243) 10.691 3.221 ( 7.696 -1.901 -7.362) 10.818 3.360 ( -5.934 -2.706 -6.647) 9.312 3.691 ( 5.083 11.362 3.286) 12.873 3.781 ( -3.651 9.699 4.222) 11.190 3.931 ( 4.031 2.838 1.334) 5.107 3.990 ( -1.851 2.953 2.995) 4.595 22.062 ( 8.866 6.462 0.743) 10.996 22.226 ( -7.178 4.952 0.938) 8.770 22.760 ( 2.925 -13.256 -1.676) 13.677 22.828 ( -3.017 -11.527 -0.187) 11.917 23.347 ( 1.454 2.967 0.050) 3.305 23.475 ( -10.784 7.259 1.105) 13.047 23.934 ( 6.262 -10.065 -6.632) 13.583 24.197 ( -19.835 -3.629 -2.497) 20.318 25.571 ( 4.217 -11.559 -1.328) 12.376 25.614 ( -0.170 -15.483 0.698) 15.500 25.766 ( -0.771 -10.730 -0.993) 10.804 25.841 ( -6.115 -11.699 1.481) 13.284 30.956 ( 6.183 2.540 0.999) 6.759 31.006 ( 1.141 2.536 1.157) 3.012 31.192 ( 6.601 -4.740 -0.374) 8.136 31.243 ( 1.735 -6.504 -1.073) 6.816 34.611 ( 6.799 10.161 2.484) 12.476 34.748 ( -6.711 10.597 2.236) 12.741 35.419 ( 6.298 -8.389 -5.454) 11.823 35.541 ( -5.789 -7.472 -6.266) 11.340 36.295 ( 2.805 1.011 2.415) 3.837 36.361 ( -3.733 -0.710 4.940) 6.232 36.623 ( 2.280 -7.431 0.874) 7.822 36.665 ( -1.971 -8.285 2.601) 8.905 ======================= Grid point 189 (71/200) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 11.726 -7.039) 13.676 2.302 ( 0.000 11.949 1.596) 12.055 2.578 ( 0.000 -6.488 -8.221) 10.473 2.590 ( 0.000 6.302 7.499) 9.796 2.688 ( 0.000 -4.542 -2.003) 4.964 2.952 ( 0.000 -9.369 3.222) 9.907 3.193 ( 0.000 4.060 2.563) 4.801 3.404 ( 0.000 -4.454 -0.075) 4.455 3.595 ( 0.000 7.720 -4.748) 9.063 3.711 ( 0.000 0.037 -3.817) 3.817 3.886 ( 0.000 9.256 8.210) 12.372 4.057 ( 0.000 1.616 5.176) 5.422 21.933 ( 0.000 16.048 -8.554) 18.185 22.373 ( 0.000 -1.147 -9.654) 9.721 22.686 ( 0.000 -2.626 3.036) 4.014 23.078 ( 0.000 -24.496 -4.378) 24.884 23.646 ( 0.000 -2.275 -0.194) 2.283 23.656 ( 0.000 -2.912 -0.443) 2.946 24.640 ( 0.000 12.106 2.881) 12.444 25.007 ( 0.000 -4.624 -1.505) 4.863 25.482 ( 0.000 -0.903 2.525) 2.682 25.750 ( 0.000 -9.990 -0.229) 9.992 26.088 ( 0.000 22.155 8.995) 23.911 27.160 ( 0.000 -28.366 -0.860) 28.379 29.880 ( 0.000 7.847 -2.678) 8.292 30.220 ( 0.000 -8.170 -7.324) 10.972 30.416 ( 0.000 0.903 3.737) 3.844 30.487 ( 0.000 -2.394 4.650) 5.231 34.486 ( 0.000 9.183 1.652) 9.331 34.900 ( 0.000 -10.735 -1.941) 10.909 35.302 ( 0.000 11.985 1.292) 12.054 35.672 ( 0.000 -5.553 -1.850) 5.853 36.275 ( 0.000 -0.020 -5.135) 5.135 36.350 ( 0.000 -3.055 -1.981) 3.641 36.480 ( 0.000 -4.511 2.805) 5.312 36.556 ( 0.000 -6.583 6.070) 8.954 ======================= Grid point 190 (72/200) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -8.499 10.982 -1.018) 13.924 2.283 ( 0.134 11.162 -1.467) 11.258 2.479 ( -9.341 -6.293 -3.262) 11.726 2.633 ( 1.142 -2.588 -1.547) 3.224 2.722 ( 5.825 4.354 2.576) 7.716 2.980 ( -2.379 -1.559 -3.308) 4.363 3.180 ( 1.876 -3.101 4.483) 5.765 3.287 ( -9.232 -3.690 1.443) 10.046 3.650 ( 3.785 7.464 -4.572) 9.536 3.746 ( 3.012 1.980 -4.309) 5.618 3.918 ( 2.623 7.168 7.615) 10.782 4.060 ( 0.268 1.764 5.655) 5.930 21.945 ( 1.252 15.054 -7.764) 16.984 22.383 ( 0.763 -1.411 -9.157) 9.297 22.673 ( -1.341 -3.012 2.181) 3.954 23.003 ( -7.217 -20.710 -1.321) 21.971 23.525 ( -6.212 0.202 -0.640) 6.248 23.694 ( -1.015 -6.878 -2.533) 7.400 24.602 ( -4.186 13.696 3.495) 14.742 25.041 ( 3.303 -5.580 -1.355) 6.624 25.471 ( -1.143 -1.118 2.223) 2.738 25.740 ( -0.959 -10.416 -0.264) 10.463 25.890 ( -18.397 18.235 7.760) 27.040 26.811 ( -31.149 -25.131 -1.474) 40.050 30.090 ( 18.012 5.276 -2.230) 18.901 30.355 ( 12.582 -6.747 -5.918) 15.455 30.506 ( 8.552 0.873 3.532) 9.294 30.578 ( 8.526 -2.303 3.911) 9.659 34.508 ( 2.244 9.240 1.646) 9.650 34.922 ( 2.245 -10.682 -1.951) 11.088 35.276 ( -2.530 11.646 1.229) 11.981 35.651 ( -2.131 -6.146 -2.103) 6.836 36.268 ( -0.270 0.769 -3.987) 4.069 36.375 ( 2.047 -3.284 -2.273) 4.488 36.468 ( -1.112 -3.856 3.121) 5.084 36.556 ( -0.046 -6.753 5.464) 8.687 ======================= Grid point 191 (73/200) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -7.699 9.654 2.751) 12.651 2.232 ( -7.640 0.049 -1.984) 7.893 2.339 ( -2.376 4.049 0.638) 4.738 2.596 ( -6.165 -2.825 -0.970) 6.850 2.813 ( 1.779 6.640 -1.225) 6.982 2.919 ( 0.168 -0.472 -6.630) 6.649 3.066 ( -9.093 -0.088 2.037) 9.319 3.278 ( 3.755 -8.409 1.573) 9.343 3.722 ( 3.631 8.217 -2.610) 9.355 3.818 ( 3.982 2.783 -3.839) 6.191 3.966 ( 1.778 5.577 6.329) 8.622 4.068 ( 0.426 1.922 6.147) 6.455 21.985 ( 2.897 12.254 -5.750) 13.842 22.391 ( -0.277 -2.328 -7.802) 8.147 22.628 ( -3.292 -3.983 0.523) 5.193 22.834 ( -8.078 -11.861 4.264) 14.971 23.429 ( -3.416 -0.431 -2.633) 4.334 23.634 ( -3.857 -8.616 -5.320) 10.835 24.443 ( -12.632 17.014 4.925) 21.755 25.127 ( 4.330 -10.237 -0.234) 11.117 25.369 ( -19.244 7.551 0.387) 20.676 25.497 ( -9.159 2.651 5.499) 11.007 25.712 ( -2.076 -11.214 -0.596) 11.421 26.116 ( -33.159 -20.599 -2.227) 39.099 30.478 ( 18.974 3.064 -1.493) 19.277 30.660 ( 16.292 -4.561 -3.097) 17.199 30.724 ( 12.206 0.731 2.549) 12.491 30.788 ( 11.515 -2.298 2.538) 12.013 34.575 ( 4.409 9.397 1.593) 10.502 34.988 ( 4.372 -10.502 -2.029) 11.555 35.204 ( -4.611 10.931 1.117) 11.916 35.588 ( -4.157 -7.407 -2.578) 8.876 36.273 ( 0.744 2.056 -2.241) 3.130 36.419 ( 2.098 -3.292 -1.913) 4.347 36.440 ( -1.552 -2.823 3.511) 4.766 36.551 ( -0.460 -6.848 4.288) 8.093 ======================= Grid point 192 (74/200) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -2.245 8.066 4.155) 9.347 2.090 ( -5.213 -1.885 -0.411) 5.559 2.242 ( -8.475 3.424 4.356) 10.125 2.431 ( -9.253 -2.144 0.275) 9.502 2.792 ( -1.487 5.391 -5.340) 7.732 2.935 ( -0.935 6.071 -2.026) 6.468 3.018 ( 4.366 -2.265 -5.430) 7.326 3.309 ( -0.911 -8.303 -2.970) 8.865 3.802 ( 4.280 7.963 0.250) 9.044 3.901 ( 4.290 2.529 -1.031) 5.085 3.981 ( -0.288 5.573 5.094) 7.556 4.070 ( -0.427 1.813 5.419) 5.730 22.065 ( 5.154 8.648 -3.335) 10.605 22.370 ( -1.498 -1.842 -4.773) 5.331 22.552 ( -3.639 -4.719 0.786) 6.011 22.712 ( -4.735 -7.907 3.988) 10.042 23.388 ( -0.266 1.695 -2.421) 2.967 23.594 ( 1.030 -7.822 -7.428) 10.836 24.099 ( -20.267 15.399 4.930) 25.927 24.739 ( -34.294 -3.868 1.243) 34.534 25.262 ( 5.446 -4.443 -1.400) 7.166 25.434 ( -1.851 -2.968 2.548) 4.328 25.620 ( -8.340 -13.055 -3.354) 15.850 25.700 ( -6.611 -12.892 0.921) 14.518 30.808 ( 13.615 2.641 -0.523) 13.879 30.942 ( 9.415 -0.726 0.175) 9.445 30.953 ( 11.418 -0.865 0.482) 11.461 31.005 ( 9.483 -3.506 0.886) 10.149 34.682 ( 6.189 9.620 1.445) 11.530 35.085 ( -0.050 0.221 -1.260) 1.280 35.104 ( -0.047 -0.109 0.096) 0.153 35.488 ( -5.712 -8.568 -2.828) 10.679 36.295 ( 1.469 2.651 -0.472) 3.067 36.403 ( -1.852 -0.247 3.062) 3.587 36.460 ( 1.807 -4.753 -0.592) 5.120 36.538 ( -0.878 -6.618 3.001) 7.320 ======================= Grid point 193 (75/200) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 4.489 6.681 4.389) 9.167 1.989 ( -7.516 5.701 2.250) 9.698 2.121 ( 0.739 -4.704 3.861) 6.130 2.237 ( -9.153 -4.509 1.927) 10.384 2.818 ( 3.335 8.820 -5.395) 10.864 2.890 ( -3.308 9.484 -3.716) 10.710 3.135 ( 6.345 -5.905 -7.054) 11.175 3.249 ( -4.709 -7.246 -5.844) 10.432 3.886 ( 3.936 7.232 2.514) 8.609 3.949 ( -2.085 6.373 4.157) 7.889 3.987 ( 3.372 1.886 1.627) 4.193 4.045 ( -2.121 1.682 3.830) 4.690 22.189 ( 7.011 6.136 -1.163) 9.389 22.318 ( -4.829 4.150 -0.688) 6.404 22.525 ( 2.175 -9.426 -0.720) 9.700 22.614 ( -5.313 -9.174 0.838) 10.635 23.450 ( 7.210 6.482 -0.549) 9.711 23.656 ( -5.636 6.983 -2.477) 9.309 23.772 ( 0.739 -2.990 -0.778) 3.176 24.113 ( -26.046 -5.698 -1.908) 26.730 25.352 ( 3.167 -6.341 -0.117) 7.089 25.398 ( -1.876 -4.683 1.342) 5.221 25.548 ( 1.183 -10.648 -1.327) 10.795 25.612 ( -4.048 -11.199 -0.111) 11.909 31.007 ( 6.191 2.455 0.315) 6.667 31.052 ( 1.710 1.850 0.778) 2.637 31.121 ( 4.799 -2.581 0.054) 5.449 31.137 ( 3.193 -3.800 -0.015) 4.964 34.816 ( 7.155 9.855 1.219) 12.239 34.960 ( -7.099 10.074 1.002) 12.364 35.226 ( 6.900 -9.926 -2.406) 12.326 35.364 ( -6.698 -9.393 -2.732) 11.855 36.328 ( 1.796 2.330 1.162) 3.162 36.366 ( -1.905 1.256 2.422) 3.327 36.492 ( 1.414 -5.415 0.519) 5.621 36.517 ( -1.145 -6.113 1.729) 6.455 ======================= Grid point 198 (76/200) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.000 -9.246 -7.462) 11.882 2.415 ( 0.000 9.246 -7.462) 11.882 2.519 ( 0.000 -8.944 0.610) 8.964 2.519 ( 0.000 8.944 0.610) 8.964 2.769 ( 0.000 -8.316 4.865) 9.635 2.769 ( 0.000 8.316 4.865) 9.635 3.295 ( 0.000 -5.527 0.692) 5.570 3.295 ( 0.000 5.527 0.692) 5.570 3.695 ( 0.000 -2.327 -3.988) 4.617 3.695 ( 0.000 2.327 -3.988) 4.617 4.030 ( 0.000 -4.324 6.453) 7.768 4.030 ( 0.000 4.324 6.453) 7.768 22.254 ( 0.000 -12.353 -15.348) 19.701 22.254 ( 0.000 12.353 -15.348) 19.701 22.716 ( 0.000 -8.170 5.937) 10.099 22.716 ( 0.000 8.170 5.937) 10.099 23.624 ( 0.000 -0.224 -0.189) 0.293 23.624 ( 0.000 0.224 -0.189) 0.293 24.864 ( 0.000 -9.186 0.364) 9.193 24.864 ( 0.000 9.186 0.364) 9.193 25.559 ( 0.000 -7.527 1.195) 7.622 25.559 ( 0.000 7.527 1.195) 7.622 26.591 ( 0.000 -26.398 3.966) 26.694 26.591 ( 0.000 26.398 3.966) 26.694 30.047 ( 0.000 -8.352 -5.641) 10.079 30.047 ( 0.000 8.352 -5.641) 10.079 30.445 ( 0.000 -1.773 4.791) 5.109 30.445 ( 0.000 1.773 4.791) 5.109 34.684 ( 0.000 -10.083 -0.036) 10.083 34.684 ( 0.000 10.083 -0.036) 10.083 35.522 ( 0.000 -9.129 -0.227) 9.131 35.522 ( 0.000 9.129 -0.227) 9.131 36.289 ( 0.000 -1.944 -0.843) 2.119 36.289 ( 0.000 1.944 -0.843) 2.119 36.466 ( 0.000 -2.185 1.228) 2.506 36.466 ( 0.000 2.185 1.228) 2.506 ======================= Grid point 200 (77/200) ======================= q-point: ( 0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -9.567 -8.754 -1.525) 13.057 2.313 ( -9.567 8.754 -1.525) 13.057 2.495 ( 0.333 -8.482 -2.367) 8.812 2.495 ( 0.333 8.482 -2.367) 8.812 2.870 ( 6.085 -7.563 0.520) 9.721 2.870 ( 6.085 7.563 0.520) 9.721 3.203 ( -7.169 -3.778 2.190) 8.395 3.203 ( -7.169 3.778 2.190) 8.395 3.746 ( 3.990 -2.084 -4.525) 6.383 3.746 ( 3.990 2.084 -4.525) 6.383 4.039 ( 0.853 -3.782 6.813) 7.838 4.039 ( 0.853 3.782 6.813) 7.838 22.250 ( -0.383 -12.448 -14.152) 18.852 22.250 ( -0.383 12.448 -14.152) 18.852 22.697 ( -1.873 -7.130 5.902) 9.443 22.697 ( -1.873 7.130 5.902) 9.443 23.576 ( -4.268 -4.431 -0.843) 6.210 23.576 ( -4.268 4.431 -0.843) 6.210 24.866 ( -0.160 -11.184 0.885) 11.220 24.866 ( -0.160 11.184 0.885) 11.220 25.545 ( -1.399 -7.517 1.096) 7.724 25.545 ( -1.399 7.517 1.096) 7.724 26.313 ( -25.370 -22.689 2.709) 34.143 26.313 ( -25.370 22.689 2.709) 34.143 30.213 ( 14.949 -6.621 -4.578) 16.978 30.213 ( 14.949 6.621 -4.578) 16.978 30.537 ( 8.631 -1.866 4.287) 9.816 30.537 ( 8.631 1.866 4.287) 9.816 34.707 ( 2.303 -10.083 -0.034) 10.343 34.707 ( 2.303 10.083 -0.034) 10.343 35.493 ( -2.837 -9.221 -0.303) 9.652 35.493 ( -2.837 9.221 -0.303) 9.652 36.302 ( 1.226 -2.850 -0.699) 3.180 36.302 ( 1.226 2.850 -0.699) 3.180 36.463 ( -0.363 -2.391 1.300) 2.745 36.463 ( -0.363 2.391 1.300) 2.745 ======================= Grid point 202 (78/200) ======================= q-point: ( 0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -8.954 -7.882 1.615) 12.038 2.116 ( -8.954 7.882 1.615) 12.038 2.490 ( -2.618 -7.132 -1.531) 7.750 2.490 ( -2.618 7.132 -1.531) 7.750 2.905 ( -2.362 -1.946 -5.451) 6.251 2.905 ( -2.362 1.946 -5.451) 6.251 3.121 ( 0.185 -5.996 3.323) 6.858 3.121 ( 0.185 5.996 3.323) 6.858 3.826 ( 3.956 -2.098 -3.779) 5.859 3.826 ( 3.956 2.098 -3.779) 5.859 4.058 ( 0.892 -2.801 6.823) 7.430 4.058 ( 0.892 2.801 6.823) 7.430 22.238 ( -0.651 -11.357 -10.605) 15.552 22.238 ( -0.651 11.357 -10.605) 15.552 22.648 ( -2.944 -5.480 5.343) 8.200 22.648 ( -2.944 5.480 5.343) 8.200 23.487 ( -3.774 -5.493 -2.536) 7.131 23.487 ( -3.774 5.493 -2.536) 7.131 24.816 ( -7.266 -17.992 2.736) 19.596 24.816 ( -7.266 17.992 2.736) 19.596 25.502 ( -3.518 -7.915 -0.083) 8.663 25.502 ( -3.518 7.915 -0.083) 8.663 25.736 ( -26.850 -16.109 0.674) 31.319 25.736 ( -26.850 16.109 0.674) 31.319 30.557 ( 17.767 -4.651 -2.738) 18.569 30.557 ( 17.767 4.651 -2.738) 18.569 30.753 ( 11.871 -1.589 3.087) 12.368 30.753 ( 11.871 1.589 3.087) 12.368 34.775 ( 4.506 -10.076 -0.060) 11.038 34.775 ( 4.506 10.076 -0.060) 11.038 35.414 ( -4.947 -9.390 -0.454) 10.623 35.414 ( -4.947 9.390 -0.454) 10.623 36.332 ( 1.687 -3.803 -0.312) 4.172 36.332 ( 1.687 3.803 -0.312) 4.172 36.452 ( -0.657 -2.768 1.457) 3.197 36.452 ( -0.657 2.768 1.457) 3.197 ======================= Grid point 204 (79/200) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -3.598 -6.787 2.787) 8.171 1.986 ( -3.598 6.787 2.787) 8.171 2.349 ( -10.661 -5.339 1.635) 12.035 2.349 ( -10.661 5.339 1.635) 12.035 2.902 ( 2.879 -5.098 -6.873) 9.029 2.902 ( 2.879 5.098 -6.873) 9.029 3.129 ( -0.710 -8.755 -1.328) 8.883 3.129 ( -0.710 8.755 -1.328) 8.883 3.906 ( 4.054 -2.247 -0.992) 4.740 3.906 ( 4.054 2.247 -0.992) 4.740 4.065 ( -0.332 -2.301 5.756) 6.207 4.065 ( -0.332 2.301 5.756) 6.207 22.242 ( 1.683 -8.376 -6.053) 10.470 22.242 ( 1.683 8.376 -6.053) 10.470 22.576 ( -4.561 -4.929 3.777) 7.705 22.576 ( -4.561 4.929 3.777) 7.705 23.460 ( 1.896 -5.084 -3.769) 6.607 23.460 ( 1.896 5.084 -3.769) 6.607 24.465 ( -26.524 -18.482 2.920) 32.460 24.465 ( -26.524 18.482 2.920) 32.460 25.361 ( -4.654 -10.657 -2.936) 11.994 25.361 ( -4.654 10.657 -2.936) 11.994 25.486 ( -3.728 -7.012 2.054) 8.203 25.486 ( -3.728 7.012 2.054) 8.203 30.872 ( 13.058 -3.630 -1.261) 13.612 30.872 ( 13.058 3.630 -1.261) 13.612 30.970 ( 9.067 -0.936 1.779) 9.287 30.970 ( 9.067 0.936 1.779) 9.287 34.884 ( 6.288 -10.044 -0.173) 11.852 34.884 ( 6.288 10.044 -0.173) 11.852 35.300 ( -6.339 -9.582 -0.553) 11.503 35.300 ( -6.339 9.582 -0.553) 11.503 36.365 ( 1.555 -3.999 0.243) 4.297 36.365 ( 1.555 3.999 0.243) 4.297 36.437 ( -0.884 -3.044 1.532) 3.521 36.437 ( -0.884 3.044 1.532) 3.521 ======================= Grid point 206 (80/200) ======================= q-point: ( 0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 3.836 -5.872 3.206) 7.712 1.987 ( 3.836 5.872 3.206) 7.712 2.130 ( -9.981 -5.468 2.919) 11.749 2.130 ( -9.981 5.468 2.919) 11.749 2.989 ( 5.085 -7.555 -6.406) 11.135 2.989 ( 5.085 7.555 -6.406) 11.135 3.082 ( -3.833 -8.571 -4.651) 10.478 3.082 ( -3.833 8.571 -4.651) 10.478 3.984 ( 3.554 -2.264 1.890) 4.618 3.984 ( 3.554 2.264 1.890) 4.618 4.041 ( -2.107 -2.226 4.081) 5.103 4.041 ( -2.107 2.226 4.081) 5.103 22.320 ( 6.010 -6.125 -2.225) 8.865 22.320 ( 6.010 6.125 -2.225) 8.865 22.458 ( -7.016 -5.235 1.065) 8.818 22.458 ( -7.016 5.235 1.065) 8.818 23.589 ( 11.617 -6.590 -2.600) 13.607 23.589 ( 11.617 6.590 -2.600) 13.607 23.938 ( -23.234 -10.828 0.168) 25.634 23.938 ( -23.234 10.828 0.168) 25.634 25.358 ( 2.421 -6.146 -0.764) 6.650 25.358 ( 2.421 6.146 -0.764) 6.650 25.419 ( -3.303 -6.103 0.780) 6.983 25.419 ( -3.303 6.103 0.780) 6.983 31.060 ( 5.508 -2.583 -0.208) 6.087 31.060 ( 5.508 2.583 -0.208) 6.087 31.089 ( 2.492 -1.401 0.703) 2.944 31.089 ( 2.492 1.401 0.703) 2.944 35.020 ( 7.216 -9.959 -0.361) 12.303 35.020 ( 7.216 9.959 -0.361) 12.303 35.165 ( -7.154 -9.794 -0.520) 12.139 35.165 ( -7.154 9.794 -0.520) 12.140 36.393 ( 1.299 -3.691 0.859) 4.006 36.393 ( 1.299 3.691 0.859) 4.006 36.417 ( -1.087 -3.301 1.342) 3.725 36.417 ( -1.087 3.301 1.342) 3.725 ======================= Grid point 270 (81/200) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 0.000 20.856) 20.856 0.820 ( 0.000 0.000 20.522) 20.522 1.333 ( 0.000 0.000 31.950) 31.950 2.029 ( 0.000 0.000 -9.079) 9.079 2.365 ( 0.000 0.000 -15.457) 15.457 2.593 ( 0.000 0.000 2.722) 2.722 2.663 ( 0.000 0.000 13.253) 13.253 2.860 ( 0.000 0.000 -2.760) 2.760 3.294 ( 0.000 0.000 -14.577) 14.577 3.528 ( 0.000 0.000 11.821) 11.821 3.681 ( 0.000 0.000 -7.406) 7.406 4.107 ( 0.000 0.000 -2.423) 2.423 22.330 ( 0.000 0.000 9.405) 9.405 23.287 ( 0.000 0.000 -10.023) 10.023 23.644 ( 0.000 0.000 1.256) 1.256 23.806 ( 0.000 0.000 -1.658) 1.658 23.832 ( 0.000 0.000 3.066) 3.066 24.465 ( 0.000 0.000 -12.161) 12.161 24.493 ( 0.000 0.000 8.209) 8.209 25.287 ( 0.000 0.000 -7.581) 7.581 25.974 ( 0.000 0.000 6.321) 6.321 26.022 ( 0.000 0.000 6.796) 6.796 26.919 ( 0.000 0.000 3.239) 3.239 27.307 ( 0.000 0.000 -3.920) 3.920 29.274 ( 0.000 0.000 12.132) 12.132 30.741 ( 0.000 0.000 2.510) 2.510 30.900 ( 0.000 0.000 -23.096) 23.096 31.195 ( 0.000 0.000 -6.247) 6.247 33.522 ( 0.000 0.000 9.402) 9.402 34.270 ( 0.000 0.000 7.646) 7.646 34.324 ( 0.000 0.000 -7.183) 7.183 34.983 ( 0.000 0.000 -6.932) 6.932 36.294 ( 0.000 0.000 6.720) 6.720 36.772 ( 0.000 0.000 -6.343) 6.343 38.086 ( 0.000 0.000 15.147) 15.147 39.164 ( 0.000 0.000 -9.040) 9.040 ======================= Grid point 271 (82/200) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 4.297 0.000 18.355) 18.852 0.925 ( 9.800 0.000 17.944) 20.445 1.476 ( 12.527 0.000 28.419) 31.057 2.058 ( 2.896 0.000 -8.734) 9.202 2.295 ( -6.006 0.000 -14.208) 15.425 2.561 ( -3.224 0.000 2.855) 4.306 2.622 ( -3.996 0.000 13.308) 13.895 2.842 ( -1.877 0.000 -2.887) 3.443 3.297 ( -8.378 0.000 0.367) 8.386 3.423 ( 3.087 0.000 -8.044) 8.616 3.790 ( 4.089 0.000 -3.324) 5.270 4.064 ( -3.285 0.000 -1.956) 3.824 22.276 ( -5.091 0.000 9.915) 11.146 22.991 ( -38.520 0.000 19.544) 43.195 23.407 ( -9.862 0.000 0.684) 9.886 23.626 ( -1.611 0.000 1.566) 2.246 23.796 ( -1.045 0.000 -0.873) 1.362 24.431 ( -5.492 0.000 -15.459) 16.405 24.484 ( -0.716 0.000 7.174) 7.210 25.243 ( -4.290 0.000 -7.450) 8.597 25.796 ( -11.872 0.000 9.443) 15.170 26.010 ( -3.653 0.000 4.505) 5.800 27.153 ( 17.958 0.000 1.073) 17.990 27.617 ( 18.153 0.000 -10.789) 21.117 29.858 ( 46.998 0.000 -16.162) 49.699 30.742 ( 1.774 0.000 -0.311) 1.801 31.051 ( 13.560 0.000 -20.915) 24.926 31.215 ( 2.480 0.000 -6.225) 6.701 33.536 ( 1.454 0.000 9.185) 9.299 34.152 ( -6.873 0.000 3.005) 7.502 34.442 ( 6.831 0.000 -2.493) 7.271 34.975 ( -0.841 0.000 -6.830) 6.881 36.309 ( 1.555 0.000 7.301) 7.465 36.784 ( 1.085 0.000 -5.470) 5.577 38.051 ( -3.450 0.000 14.454) 14.860 38.798 ( -30.507 0.000 7.369) 31.384 ======================= Grid point 272 (83/200) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 12.301 0.000 11.373) 16.753 1.175 ( 14.487 0.000 13.520) 19.816 1.759 ( 14.025 0.000 19.852) 24.306 2.138 ( 4.740 0.000 -7.593) 8.951 2.180 ( -3.924 0.000 -7.984) 8.896 2.468 ( -5.932 0.000 3.051) 6.671 2.512 ( -6.727 0.000 12.638) 14.317 2.786 ( -3.691 0.000 -3.260) 4.925 3.050 ( -13.243 0.000 5.364) 14.288 3.580 ( 9.018 0.000 -12.774) 15.637 3.731 ( -9.491 0.000 -2.380) 9.785 4.045 ( 1.329 0.000 -3.235) 3.497 22.147 ( -7.208 0.000 11.382) 13.472 22.312 ( -24.528 0.000 34.431) 42.274 23.334 ( -1.129 0.000 -11.566) 11.621 23.588 ( -1.923 0.000 2.466) 3.128 23.761 ( -2.612 0.000 1.282) 2.910 24.243 ( -12.758 0.000 -20.237) 23.923 24.477 ( 0.390 0.000 4.192) 4.210 25.122 ( -7.590 0.000 -7.050) 10.359 25.597 ( -6.685 0.000 14.150) 15.650 25.920 ( -5.200 0.000 5.229) 7.375 27.503 ( 15.982 0.000 -1.699) 16.072 27.881 ( 9.434 0.000 -7.288) 11.921 30.573 ( 17.397 0.000 -17.787) 24.881 30.859 ( 9.370 0.000 -6.691) 11.514 31.337 ( 12.126 0.000 -13.287) 17.989 31.421 ( 21.788 0.000 -26.398) 34.228 33.578 ( 2.623 0.000 8.604) 8.995 34.020 ( -6.302 0.000 3.775) 7.347 34.572 ( 6.176 0.000 -3.128) 6.923 34.950 ( -1.641 0.000 -6.541) 6.744 36.358 ( 3.350 0.000 8.947) 9.553 36.806 ( 0.746 0.000 -2.125) 2.252 37.947 ( -7.306 0.000 14.419) 16.165 38.204 ( -24.819 0.000 18.429) 30.913 ======================= Grid point 273 (84/200) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 15.366 0.000 6.296) 16.606 1.478 ( 15.448 0.000 9.960) 18.381 1.922 ( 0.500 0.000 0.203) 0.539 2.203 ( -1.580 0.000 -1.659) 2.291 2.213 ( 5.947 0.000 9.874) 11.527 2.364 ( -1.284 0.000 -0.898) 1.567 2.390 ( -2.917 0.000 11.745) 12.102 2.696 ( -5.309 0.000 -3.858) 6.563 2.811 ( -9.449 0.000 4.771) 10.585 3.451 ( -15.971 0.000 2.496) 16.165 3.775 ( 8.645 0.000 -13.152) 15.739 4.063 ( -0.253 0.000 -6.004) 6.010 21.984 ( -9.459 0.000 24.721) 26.469 22.011 ( -6.571 0.000 17.318) 18.523 23.349 ( 2.959 0.000 -16.515) 16.779 23.560 ( -0.674 0.000 3.709) 3.769 23.694 ( -3.832 0.000 3.722) 5.342 23.957 ( -14.993 0.000 -21.744) 26.412 24.513 ( 3.371 0.000 0.302) 3.385 24.952 ( -9.182 0.000 -6.315) 11.144 25.538 ( 0.232 0.000 14.838) 14.840 25.806 ( -6.030 0.000 6.965) 9.212 27.774 ( 11.219 0.000 -3.905) 11.880 28.015 ( 3.985 0.000 -5.699) 6.954 30.757 ( 6.036 0.000 -3.517) 6.986 30.964 ( 1.084 0.000 -3.666) 3.823 31.639 ( 15.643 0.000 -20.607) 25.872 31.820 ( 15.103 0.000 -33.571) 36.812 33.639 ( 3.437 0.000 7.806) 8.530 33.902 ( -5.484 0.000 4.865) 7.332 34.686 ( 5.196 0.000 -4.023) 6.572 34.909 ( -2.416 0.000 -6.102) 6.563 36.444 ( 5.262 0.000 11.285) 12.451 36.792 ( -2.592 0.000 5.116) 5.734 37.752 ( -9.367 0.000 17.658) 19.988 37.889 ( -9.040 0.000 8.203) 12.207 ======================= Grid point 274 (85/200) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 13.977 0.000 4.255) 14.610 1.778 ( 14.375 0.000 7.350) 16.145 1.827 ( -9.257 0.000 1.819) 9.434 2.041 ( -11.717 0.000 5.094) 12.777 2.273 ( 3.725 0.000 5.019) 6.251 2.382 ( -4.397 0.000 7.971) 9.103 2.445 ( 6.469 0.000 -5.206) 8.304 2.577 ( -6.463 0.000 -4.616) 7.942 2.803 ( 10.840 0.000 8.156) 13.565 3.111 ( -17.403 0.000 6.520) 18.584 3.927 ( 6.438 0.000 -11.162) 12.886 4.027 ( -3.430 0.000 -8.717) 9.367 21.881 ( -1.440 0.000 20.817) 20.867 21.907 ( -3.610 0.000 17.748) 18.112 23.461 ( 8.306 0.000 -19.335) 21.044 23.568 ( 1.521 0.000 4.774) 5.010 23.619 ( -3.429 0.000 4.975) 6.042 23.675 ( -12.802 0.000 -20.910) 24.518 24.613 ( 6.627 0.000 -2.940) 7.250 24.769 ( -8.793 0.000 -5.054) 10.141 25.585 ( 4.083 0.000 12.504) 13.153 25.686 ( -5.783 0.000 9.527) 11.145 27.953 ( 6.700 0.000 -5.167) 8.461 28.038 ( -1.664 0.000 -5.535) 5.780 30.864 ( 4.782 0.000 -0.432) 4.802 30.942 ( -2.776 0.000 -0.525) 2.825 31.898 ( 9.380 0.000 -25.120) 26.814 31.983 ( 1.458 0.000 -30.189) 30.224 33.713 ( 4.059 0.000 6.904) 8.008 33.801 ( -4.707 0.000 5.925) 7.567 34.779 ( 4.171 0.000 -4.843) 6.392 34.853 ( -3.238 0.000 -5.536) 6.414 36.565 ( 6.701 0.000 13.246) 14.844 36.699 ( -6.309 0.000 12.100) 13.646 37.669 ( 0.663 0.000 9.597) 9.620 37.743 ( -5.932 0.000 6.271) 8.632 ======================= Grid point 279 (86/200) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 4.350 19.759) 20.232 0.914 ( 0.000 9.781 17.828) 20.334 1.530 ( 0.000 17.100 26.145) 31.241 2.092 ( 0.000 5.784 -9.140) 10.817 2.375 ( 0.000 1.153 -14.951) 14.995 2.612 ( 0.000 0.470 8.476) 8.489 2.736 ( 0.000 7.916 7.317) 10.780 2.911 ( 0.000 4.591 -4.030) 6.108 3.319 ( 0.000 2.561 -12.355) 12.617 3.516 ( 0.000 -1.115 11.620) 11.673 3.655 ( 0.000 -2.536 -7.201) 7.634 4.085 ( 0.000 -2.102 -2.413) 3.200 22.345 ( 0.000 1.255 8.801) 8.890 22.913 ( 0.000 -47.516 27.049) 54.675 23.253 ( 0.000 -3.369 -9.467) 10.049 23.768 ( 0.000 -2.155 -3.502) 4.112 23.876 ( 0.000 2.641 3.435) 4.333 24.454 ( 0.000 -3.542 5.733) 6.738 24.509 ( 0.000 -0.552 -11.178) 11.192 25.093 ( 0.000 -14.034 -3.814) 14.543 25.986 ( 0.000 1.088 5.739) 5.841 26.209 ( 0.000 11.712 -0.616) 11.728 26.806 ( 0.000 -10.504 6.130) 12.162 27.746 ( 0.000 28.177 -24.448) 37.304 29.312 ( 0.000 3.591 11.808) 12.342 30.707 ( 0.000 -3.082 2.336) 3.867 30.799 ( 0.000 -8.923 -20.305) 22.180 31.132 ( 0.000 -5.555 -5.725) 7.977 33.602 ( 0.000 7.396 9.522) 12.057 34.316 ( 0.000 4.394 7.689) 8.856 34.559 ( 0.000 19.040 -16.148) 24.965 35.052 ( 0.000 6.240 -7.803) 9.991 36.279 ( 0.000 -1.450 6.290) 6.455 36.732 ( 0.000 -3.696 -6.281) 7.288 38.007 ( 0.000 -7.508 14.684) 16.492 38.849 ( 0.000 -26.182 3.437) 26.406 ======================= Grid point 280 (87/200) ======================= q-point: ( 0.11 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.979 8.282 16.742) 18.915 0.955 ( 9.283 4.171 17.285) 20.059 1.655 ( 11.046 15.719 23.223) 30.140 2.123 ( 3.001 5.910 -8.748) 10.975 2.303 ( -6.202 0.944 -13.666) 15.037 2.577 ( -3.389 0.438 8.944) 9.574 2.694 ( -4.058 7.701 7.123) 11.248 2.903 ( -1.168 5.637 -3.656) 6.819 3.287 ( -10.019 -0.938 2.094) 10.278 3.433 ( 4.111 1.192 -8.473) 9.493 3.769 ( 4.414 -2.033 -2.899) 5.659 4.043 ( -3.237 -1.985 -1.908) 4.249 22.293 ( -4.943 1.348 9.602) 10.883 22.629 ( -23.899 -30.098 32.844) 50.555 23.209 ( -1.155 -4.809 -6.308) 8.015 23.767 ( -0.985 -2.607 -3.389) 4.388 23.819 ( -4.699 6.676 0.064) 8.164 24.406 ( -6.037 -4.260 -5.717) 9.342 24.471 ( -2.381 -0.866 -2.830) 3.799 25.061 ( -3.129 -13.161 -3.637) 14.008 25.919 ( -8.449 7.489 5.772) 12.680 26.030 ( -9.107 2.404 3.927) 10.205 27.039 ( 16.764 -10.654 2.431) 20.011 27.757 ( 1.893 9.596 -14.181) 17.227 29.849 ( 41.282 -0.480 -11.190) 42.774 30.716 ( 2.613 -2.316 -0.399) 3.515 30.951 ( 13.285 -8.910 -17.737) 23.884 31.163 ( 3.563 -4.609 -6.187) 8.498 33.618 ( 1.547 7.454 9.303) 12.021 34.260 ( -4.800 7.519 4.735) 10.099 34.612 ( 4.409 15.691 -12.789) 20.717 35.045 ( -0.701 6.356 -7.783) 10.073 36.294 ( 1.579 -1.435 6.885) 7.208 36.747 ( 1.351 -3.452 -5.482) 6.617 37.974 ( -3.257 -7.332 13.952) 16.094 38.572 ( -23.883 -19.502 12.513) 33.276 ======================= Grid point 281 (88/200) ======================= q-point: ( 0.22 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.429 5.468 11.300) 16.321 1.197 ( 14.062 2.689 13.950) 19.989 1.900 ( 11.166 12.349 13.563) 21.474 2.185 ( -2.152 1.981 -6.558) 7.181 2.206 ( 3.491 5.207 -6.622) 9.119 2.485 ( -5.456 0.837 9.464) 10.956 2.580 ( -7.141 6.964 6.230) 11.760 2.856 ( -3.619 6.469 -3.175) 8.064 3.041 ( -12.517 -0.745 4.741) 13.405 3.584 ( 8.376 0.434 -11.511) 14.243 3.721 ( -8.631 -0.870 -2.385) 8.996 4.024 ( 1.373 -1.986 -2.977) 3.832 22.158 ( -9.376 -2.839 19.867) 22.151 22.206 ( -14.547 -5.257 23.912) 28.479 23.217 ( 1.641 -6.238 -7.346) 9.776 23.706 ( -4.933 4.554 -1.622) 6.907 23.730 ( -3.750 -1.351 -1.857) 4.397 24.205 ( -13.136 -4.669 -16.367) 21.499 24.441 ( -0.607 -2.838 1.811) 3.421 24.975 ( -5.478 -10.784 -4.983) 13.082 25.714 ( -8.545 8.264 10.265) 15.706 25.918 ( -4.658 -0.091 5.506) 7.212 27.356 ( 14.264 -13.855 -0.769) 19.900 27.819 ( 3.630 -6.132 -7.315) 10.213 30.504 ( 19.553 -5.436 -14.689) 25.052 30.826 ( 7.494 -2.364 -2.264) 8.178 31.255 ( 14.120 -8.156 -13.856) 21.399 31.352 ( 18.197 -5.015 -19.424) 27.085 33.662 ( 2.855 7.669 8.695) 11.940 34.150 ( -5.869 9.994 3.268) 12.042 34.709 ( 4.942 12.436 -10.133) 16.786 35.024 ( -1.366 6.706 -7.748) 10.338 36.343 ( 3.426 -1.359 8.553) 9.313 36.777 ( 1.277 -2.725 -2.425) 3.865 37.877 ( -6.815 -6.690 13.641) 16.652 38.080 ( -21.737 -11.330 18.517) 30.720 ======================= Grid point 282 (89/200) ======================= q-point: ( 0.33 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 14.444 2.952 6.323) 16.041 1.491 ( 15.019 1.516 11.162) 18.774 1.974 ( -2.453 3.961 -5.099) 6.907 2.225 ( -1.696 2.280 6.804) 7.373 2.274 ( 3.497 6.092 2.666) 7.513 2.419 ( 0.976 4.028 9.935) 10.765 2.445 ( -3.230 5.963 1.389) 6.922 2.760 ( -5.288 5.302 -0.822) 7.533 2.831 ( -7.536 2.817 1.733) 8.230 3.458 ( -14.890 0.771 2.663) 15.146 3.771 ( 8.265 -0.325 -12.407) 14.911 4.044 ( -0.097 -1.769 -5.673) 5.943 21.960 ( -6.767 -2.611 27.280) 28.228 22.036 ( -6.565 2.847 12.396) 14.313 23.274 ( 4.287 -5.175 -10.855) 12.767 23.619 ( -3.189 3.453 -1.842) 5.049 23.647 ( -4.557 -4.272 0.449) 6.263 23.924 ( -14.077 -3.871 -17.803) 23.023 24.456 ( 2.261 -4.971 -0.669) 5.502 24.841 ( -7.842 -9.001 -6.685) 13.683 25.616 ( -1.494 5.802 13.040) 14.351 25.820 ( -5.122 1.427 6.892) 8.705 27.600 ( 10.283 -16.379 -3.023) 19.574 27.875 ( 1.428 -13.234 -5.466) 14.390 30.735 ( 7.410 -1.907 -3.564) 8.441 30.928 ( 2.096 -2.558 -1.206) 3.520 31.553 ( 15.021 -7.592 -17.038) 23.949 31.715 ( 14.362 -8.493 -26.898) 31.653 33.730 ( 3.882 8.138 7.782) 11.911 34.032 ( -5.901 10.500 3.829) 12.639 34.803 ( 4.373 10.471 -8.895) 14.419 34.990 ( -2.012 7.287 -7.759) 10.832 36.432 ( 5.402 -1.170 10.888) 12.211 36.776 ( -1.982 -1.605 4.401) 5.087 37.685 ( -9.525 -6.447 17.254) 20.736 37.802 ( -8.082 -8.129 7.769) 13.847 ======================= Grid point 283 (90/200) ======================= q-point: ( 0.44 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 13.316 1.599 3.977) 13.989 1.761 ( 7.306 -0.755 8.015) 10.872 1.885 ( -2.147 4.646 0.922) 5.201 2.074 ( -11.255 2.777 5.630) 12.888 2.282 ( 2.481 1.354 4.373) 5.207 2.391 ( -6.093 1.064 5.595) 8.340 2.527 ( 7.051 7.105 -4.457) 10.958 2.665 ( -6.379 7.726 -4.490) 10.979 2.849 ( 11.363 4.669 8.468) 14.921 3.142 ( -16.118 3.148 6.589) 17.695 3.917 ( 6.166 -0.953 -10.601) 12.301 4.011 ( -3.224 -1.417 -8.290) 9.008 21.892 ( -0.452 0.897 20.617) 20.641 21.929 ( -3.889 2.258 15.978) 16.598 23.392 ( 7.403 -5.169 -12.188) 15.168 23.541 ( -6.315 -5.731 -3.779) 9.327 23.596 ( 0.918 1.051 -2.396) 2.773 23.684 ( -8.721 -1.026 -11.956) 14.834 24.536 ( 5.744 -6.895 -3.572) 9.659 24.677 ( -8.089 -8.075 -5.857) 12.843 25.636 ( 3.025 4.149 11.750) 12.823 25.718 ( -4.872 2.851 9.142) 10.745 27.769 ( 6.661 -17.302 -4.386) 19.052 27.863 ( -2.686 -16.451 -5.004) 17.403 30.855 ( 4.854 -0.627 -0.029) 4.894 30.925 ( -2.035 -1.111 0.488) 2.369 31.801 ( 8.836 -8.316 -20.944) 24.205 31.876 ( 1.812 -8.909 -24.780) 26.395 33.816 ( 4.739 8.928 6.597) 12.070 33.918 ( -5.461 9.887 5.179) 12.425 34.882 ( 3.524 9.125 -8.236) 12.787 34.944 ( -2.711 8.092 -7.892) 11.624 36.555 ( 6.835 -0.906 12.799) 14.537 36.691 ( -6.167 -0.859 11.486) 13.065 37.597 ( 0.453 -6.768 9.213) 11.441 37.666 ( -5.624 -7.190 6.056) 10.955 ======================= Grid point 288 (91/200) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 0.000 10.765 13.297) 17.108 1.172 ( 0.000 14.438 12.679) 19.215 1.955 ( 0.000 22.587 19.211) 29.652 2.244 ( 0.000 8.284 -9.675) 12.737 2.414 ( 0.000 2.600 -13.634) 13.879 2.621 ( 0.000 0.884 8.849) 8.893 2.958 ( 0.000 12.631 5.966) 13.969 3.025 ( 0.000 5.918 -7.318) 9.411 3.414 ( 0.000 7.005 -6.070) 9.269 3.485 ( 0.000 -1.852 11.016) 11.170 3.579 ( 0.000 -4.732 -6.589) 8.112 4.022 ( 0.000 -3.973 -2.394) 4.639 22.126 ( 0.000 -27.548 30.843) 41.354 22.369 ( 0.000 0.785 6.930) 6.974 23.158 ( 0.000 -5.727 -7.531) 9.461 23.725 ( 0.000 -2.115 -8.040) 8.314 23.929 ( 0.000 2.238 3.212) 3.915 24.364 ( 0.000 -4.626 0.096) 4.627 24.374 ( 0.000 -12.427 -7.290) 14.408 24.893 ( 0.000 -3.528 -2.651) 4.413 26.009 ( 0.000 0.703 4.932) 4.982 26.357 ( 0.000 1.298 -3.642) 3.866 26.525 ( 0.000 -15.440 13.303) 20.381 28.137 ( 0.000 8.972 -31.066) 32.335 29.412 ( 0.000 5.768 10.853) 12.291 30.589 ( 0.000 -10.105 -13.891) 17.178 30.627 ( 0.000 -4.386 1.914) 4.785 30.990 ( 0.000 -7.894 -5.632) 9.697 33.798 ( 0.000 10.887 9.619) 14.528 34.446 ( 0.000 8.050 7.674) 11.122 34.935 ( 0.000 14.508 -22.213) 26.531 35.219 ( 0.000 9.706 -10.441) 14.255 36.238 ( 0.000 -2.321 5.010) 5.521 36.629 ( 0.000 -6.079 -6.079) 8.597 37.788 ( 0.000 -13.427 13.446) 19.002 38.265 ( 0.000 -28.074 14.620) 31.653 ======================= Grid point 289 (92/200) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 6.452 9.332 13.799) 17.864 1.173 ( 1.508 13.659 11.443) 17.882 2.049 ( 8.305 21.000 15.652) 27.476 2.279 ( 3.280 8.499 -8.638) 12.554 2.339 ( -6.235 2.763 -11.769) 13.603 2.588 ( -3.110 1.060 9.261) 9.827 2.904 ( -5.106 11.636 5.624) 13.896 3.049 ( 1.135 7.778 -6.178) 9.998 3.259 ( -12.378 -1.535 4.799) 13.364 3.486 ( 4.359 4.332 -6.989) 9.306 3.711 ( 5.360 -3.453 -1.499) 6.550 3.985 ( -2.898 -3.565 -1.810) 4.938 22.060 ( -5.661 -21.267 29.976) 37.187 22.336 ( -3.275 1.318 7.589) 8.370 23.132 ( -1.679 -4.101 -6.036) 7.488 23.705 ( -2.122 -3.080 -7.881) 8.724 23.895 ( -3.625 1.705 0.388) 4.024 24.242 ( -9.205 -12.002 -5.956) 16.256 24.399 ( -0.380 -5.705 -1.843) 6.007 24.874 ( -1.988 -3.164 -4.412) 5.781 25.985 ( -2.736 -0.449 5.350) 6.026 26.103 ( -14.828 2.495 4.604) 15.726 26.745 ( 12.523 -16.906 4.926) 21.608 27.881 ( -16.685 1.230 -16.663) 23.613 29.856 ( 32.651 1.331 -3.425) 32.857 30.655 ( 5.153 -3.419 -1.464) 6.355 30.740 ( 12.109 -10.151 -9.903) 18.647 31.042 ( 5.551 -6.859 -6.625) 11.034 33.815 ( 1.627 10.899 9.421) 14.498 34.424 ( -2.183 8.786 6.782) 11.312 34.951 ( 1.585 13.865 -20.959) 25.180 35.213 ( -0.536 9.678 -10.448) 14.251 36.254 ( 1.594 -2.342 5.646) 6.316 36.650 ( 1.987 -5.729 -5.457) 8.158 37.759 ( -2.768 -13.174 12.607) 18.443 38.108 ( -14.258 -23.554 17.034) 32.376 ======================= Grid point 290 (93/200) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 7.176 8.486 12.843) 16.984 1.309 ( 11.138 8.496 9.124) 16.718 2.143 ( -4.059 6.371 -9.388) 12.050 2.307 ( 7.994 13.516 9.825) 18.523 2.355 ( 2.488 8.233 -4.340) 9.634 2.517 ( -2.436 2.974 8.774) 9.579 2.755 ( -9.603 8.504 5.197) 13.840 3.010 ( -9.671 3.698 4.660) 11.354 3.050 ( -3.404 6.320 -4.914) 8.699 3.606 ( 6.344 1.960 -7.749) 10.205 3.699 ( -5.907 -1.120 -2.199) 6.402 3.968 ( 1.511 -3.263 -2.226) 4.229 21.949 ( -4.532 -10.611 27.053) 29.411 22.244 ( -5.759 3.342 8.697) 10.953 23.123 ( 1.067 -3.695 -5.732) 6.903 23.640 ( -4.324 -4.513 -6.548) 9.053 23.786 ( -6.811 1.007 -2.969) 7.498 24.015 ( -12.803 -13.573 -8.334) 20.435 24.367 ( -2.340 -4.873 -1.538) 5.620 24.804 ( -5.330 -3.997 -8.344) 10.678 25.821 ( -9.673 0.005 10.523) 14.293 25.948 ( -3.573 4.071 3.804) 6.618 26.968 ( 9.846 -22.635 1.780) 24.748 27.628 ( -8.649 -12.299 -7.631) 16.861 30.411 ( 20.598 -2.671 -6.633) 21.803 30.782 ( 6.820 -1.853 1.193) 7.167 31.047 ( 16.571 -10.515 -10.497) 22.256 31.238 ( 14.329 -6.164 -12.834) 20.200 33.862 ( 3.099 10.978 8.853) 14.439 34.361 ( -4.140 10.253 5.298) 12.261 34.994 ( 2.575 12.549 -18.226) 22.278 35.198 ( -0.980 9.677 -10.559) 14.356 36.304 ( 3.543 -2.335 7.372) 8.506 36.698 ( 2.518 -4.738 -3.081) 6.187 37.680 ( -5.199 -12.191 11.034) 17.245 37.779 ( -16.545 -16.700 18.414) 29.861 ======================= Grid point 291 (94/200) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 12.019 5.467 8.091) 15.486 1.552 ( 12.472 4.607 9.389) 16.277 2.049 ( -3.719 3.337 -8.232) 9.629 2.289 ( -6.949 3.543 5.710) 9.667 2.443 ( -1.170 8.904 3.748) 9.732 2.538 ( -0.939 5.932 5.198) 7.942 2.592 ( -0.163 8.955 2.599) 9.326 2.865 ( -1.000 5.942 5.972) 8.483 2.976 ( -4.880 10.117 -5.380) 12.454 3.491 ( -11.573 2.791 3.204) 12.329 3.766 ( 7.133 0.022 -10.062) 12.334 3.995 ( 0.367 -2.830 -4.589) 5.404 21.897 ( -0.651 -2.945 22.517) 22.718 22.118 ( -6.460 4.843 10.456) 13.211 23.174 ( 3.951 -4.593 -7.830) 9.900 23.535 ( -6.067 -6.001 -5.425) 10.111 23.656 ( -5.538 -0.308 -3.742) 6.690 23.766 ( -11.226 -11.591 -9.163) 18.556 24.331 ( -0.616 -7.002 -2.963) 7.628 24.661 ( -8.665 -6.930 -10.080) 14.990 25.705 ( -2.021 1.950 11.746) 12.077 25.873 ( -4.053 3.615 4.884) 7.303 27.143 ( 7.903 -26.502 -0.389) 27.658 27.501 ( -5.000 -22.020 -4.540) 23.032 30.702 ( 10.175 -0.634 -1.569) 10.314 30.890 ( 3.531 -0.881 1.852) 4.084 31.365 ( 14.835 -9.760 -11.195) 20.993 31.531 ( 12.340 -8.692 -17.323) 22.976 33.937 ( 4.372 11.196 7.956) 14.414 34.263 ( -5.483 11.342 4.820) 13.489 35.049 ( 2.762 11.407 -15.487) 19.432 35.175 ( -1.379 9.829 -10.967) 14.792 36.396 ( 5.666 -2.208 9.683) 11.434 36.726 ( -0.455 -3.172 2.645) 4.155 37.495 ( -9.694 -11.817 15.699) 21.911 37.577 ( -6.060 -12.928 6.980) 15.893 ======================= Grid point 292 (95/200) ======================= q-point: ( 0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 11.104 2.946 4.745) 12.430 1.758 ( 4.613 0.578 8.064) 9.308 2.000 ( 0.842 6.219 -0.391) 6.288 2.144 ( -8.648 4.096 5.488) 11.031 2.330 ( -1.536 2.699 4.059) 5.111 2.424 ( -8.097 2.072 3.026) 8.889 2.709 ( 7.658 9.994 -5.092) 13.581 2.856 ( -6.813 10.020 -5.746) 13.410 3.002 ( 11.341 10.167 8.706) 17.544 3.247 ( -12.582 7.109 6.554) 15.868 3.893 ( 5.332 -1.206 -8.791) 10.352 3.973 ( -2.595 -2.130 -6.889) 7.663 21.919 ( 2.690 1.819 17.641) 17.937 21.999 ( -5.207 4.376 13.430) 15.054 23.275 ( 6.025 -6.071 -9.779) 12.991 23.406 ( -6.754 -7.168 -8.063) 12.728 23.579 ( -1.824 -2.964 -3.446) 4.897 23.602 ( -4.630 -7.006 -5.937) 10.285 24.362 ( 3.965 -9.303 -5.445) 11.486 24.486 ( -8.071 -9.323 -8.290) 14.859 25.718 ( 2.640 3.145 9.689) 10.523 25.789 ( -4.142 3.615 6.945) 8.858 27.287 ( 6.496 -27.992 -1.960) 28.803 27.403 ( -5.216 -26.820 -3.165) 27.505 30.854 ( 5.334 0.806 1.260) 5.539 30.917 ( -0.927 0.493 2.140) 2.384 31.605 ( 8.405 -9.842 -13.777) 18.903 31.675 ( 1.735 -9.790 -16.256) 19.056 34.035 ( 5.389 11.515 6.778) 14.407 34.148 ( -5.881 11.689 5.535) 14.208 35.100 ( 2.386 10.656 -13.332) 17.233 35.143 ( -1.847 10.160 -11.848) 15.717 36.526 ( 7.110 -1.970 11.455) 13.625 36.662 ( -5.768 -1.990 9.795) 11.540 37.402 ( 0.123 -11.730 8.055) 14.230 37.463 ( -5.013 -12.020 5.559) 14.161 ======================= Grid point 297 (96/200) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 13.776 6.015) 15.032 1.484 ( 0.000 15.531 8.578) 17.743 2.391 ( 0.000 16.758 18.332) 24.837 2.401 ( 0.000 6.288 -11.003) 12.673 2.482 ( 0.000 4.069 -12.841) 13.470 2.682 ( 0.000 7.121 3.650) 8.002 3.147 ( 0.000 6.040 -8.265) 10.237 3.221 ( 0.000 11.486 7.012) 13.457 3.453 ( 0.000 -0.138 9.900) 9.901 3.462 ( 0.000 -6.228 -4.548) 7.712 3.603 ( 0.000 10.425 -1.200) 10.494 3.926 ( 0.000 -5.115 -2.343) 5.626 21.736 ( 0.000 -11.747 20.653) 23.760 22.367 ( 0.000 -1.062 3.525) 3.681 23.026 ( 0.000 -6.874 -5.034) 8.520 23.669 ( 0.000 -3.735 -13.418) 13.928 23.942 ( 0.000 -1.996 -2.218) 2.984 24.087 ( 0.000 -13.525 -2.654) 13.783 24.297 ( 0.000 -0.777 -0.655) 1.016 24.898 ( 0.000 2.353 -4.839) 5.381 25.997 ( 0.000 -2.188 9.305) 9.558 26.237 ( 0.000 -11.029 16.297) 19.678 26.250 ( 0.000 -10.983 -2.291) 11.219 28.159 ( 0.000 -5.680 -26.335) 26.941 29.537 ( 0.000 6.127 9.167) 11.026 30.422 ( 0.000 -5.828 -8.633) 10.416 30.539 ( 0.000 -3.829 1.569) 4.137 30.820 ( 0.000 -8.291 -5.232) 9.804 34.024 ( 0.000 10.569 9.172) 13.994 34.640 ( 0.000 10.536 7.326) 12.832 35.114 ( 0.000 3.475 -16.822) 17.177 35.430 ( 0.000 9.708 -14.202) 17.203 36.190 ( 0.000 -2.128 2.848) 3.556 36.497 ( 0.000 -6.337 -5.707) 8.528 37.472 ( 0.000 -16.707 11.707) 20.400 37.732 ( 0.000 -23.572 15.248) 28.074 ======================= Grid point 298 (97/200) ======================= q-point: ( 0.11 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.816 12.432 7.522) 15.023 1.472 ( -0.124 15.015 7.854) 16.946 2.361 ( -4.594 4.843 -9.787) 11.847 2.436 ( 0.184 6.743 -1.370) 6.883 2.507 ( 7.474 13.431 6.079) 16.529 2.658 ( -2.145 8.808 3.279) 9.640 3.110 ( -10.619 4.689 6.249) 13.184 3.175 ( 0.158 4.240 -7.380) 8.513 3.288 ( -5.391 7.387 4.352) 10.127 3.585 ( 3.202 0.655 -4.196) 5.318 3.665 ( 5.049 3.381 2.127) 6.438 3.905 ( -1.509 -3.739 -1.563) 4.324 21.745 ( 0.945 -9.869 20.001) 22.323 22.353 ( -1.452 0.030 4.221) 4.463 23.022 ( -0.232 -6.465 -5.070) 8.219 23.639 ( -3.000 -3.772 -12.919) 13.788 23.890 ( -5.398 -4.857 -4.243) 8.410 23.960 ( -10.522 -11.190 -0.552) 15.370 24.303 ( -0.645 -2.575 -1.693) 3.148 24.887 ( -1.529 2.882 -6.336) 7.126 25.920 ( -7.632 -5.296 12.663) 15.705 26.109 ( -5.163 -1.416 2.836) 6.058 26.376 ( 5.713 -18.244 6.497) 20.191 27.803 ( -26.555 -8.410 -16.449) 32.349 29.902 ( 27.253 2.870 1.322) 27.436 30.554 ( 12.457 -6.153 -7.776) 15.921 30.602 ( 5.950 -3.023 1.729) 6.894 30.891 ( 7.117 -7.545 -6.061) 12.013 34.041 ( 1.661 10.598 9.011) 14.010 34.625 ( -1.521 10.612 6.911) 12.755 35.127 ( 1.331 3.617 -16.511) 16.955 35.421 ( -0.850 9.463 -14.133) 17.030 36.205 ( 1.487 -2.241 3.560) 4.461 36.525 ( 2.637 -6.054 -5.271) 8.449 37.448 ( -2.421 -16.634 10.938) 20.055 37.644 ( -8.240 -21.079 15.737) 27.565 ======================= Grid point 299 (98/200) ======================= q-point: ( 0.22 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.592 9.572 11.744) 15.831 1.532 ( 6.355 12.390 4.146) 14.529 2.220 ( -7.216 2.957 -9.595) 12.364 2.467 ( -0.591 4.327 0.015) 4.368 2.613 ( 1.235 7.484 -2.277) 7.920 2.676 ( 4.664 14.692 10.664) 18.743 2.869 ( -10.243 3.513 5.358) 12.081 3.075 ( -7.847 5.027 2.158) 9.565 3.251 ( -1.180 10.263 -4.894) 11.431 3.662 ( 5.025 1.528 -5.743) 7.782 3.691 ( -2.998 2.269 1.881) 4.204 3.908 ( 1.974 -1.775 -0.862) 2.791 21.780 ( 2.678 -5.572 18.252) 19.270 22.307 ( -3.251 2.509 5.736) 7.055 23.027 ( 0.959 -6.125 -5.767) 8.467 23.552 ( -5.777 -4.431 -12.282) 14.278 23.693 ( -12.441 -16.013 -1.493) 20.332 23.776 ( -7.985 -1.507 -2.841) 8.609 24.253 ( -4.150 -5.197 -3.269) 7.410 24.803 ( -7.779 2.723 -9.078) 12.261 25.757 ( -6.593 -4.989 13.066) 15.462 26.023 ( -4.123 1.877 0.644) 4.576 26.478 ( 4.707 -23.665 4.877) 24.617 27.319 ( -20.182 -17.520 -7.976) 27.891 30.397 ( 20.537 0.748 -0.972) 20.573 30.750 ( 8.023 -1.265 2.141) 8.400 30.862 ( 16.768 -6.949 -5.957) 19.103 31.101 ( 13.399 -6.926 -9.146) 17.640 34.090 ( 3.230 10.709 8.537) 14.071 34.577 ( -3.308 10.823 6.052) 12.834 35.165 ( 2.406 4.070 -15.708) 16.404 35.398 ( -1.417 8.828 -13.935) 16.556 36.253 ( 3.468 -2.451 5.387) 6.860 36.591 ( 3.685 -5.373 -3.581) 7.434 37.373 ( -5.595 -17.254 9.736) 20.586 37.444 ( -10.235 -15.255 15.021) 23.730 ======================= Grid point 300 (99/200) ======================= q-point: ( 0.33 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 8.683 6.036 11.052) 15.297 1.684 ( 7.664 7.918 4.086) 11.753 2.119 ( -2.329 3.535 -6.316) 7.603 2.373 ( -6.931 4.806 3.232) 9.032 2.542 ( -11.155 0.457 7.387) 13.387 2.672 ( -3.016 7.505 -2.461) 8.455 2.790 ( -0.202 7.690 -1.622) 7.862 3.039 ( 6.214 11.121 5.669) 13.944 3.198 ( -3.667 10.759 -4.733) 12.313 3.585 ( -6.823 6.458 3.880) 10.165 3.774 ( 5.731 0.627 -6.135) 8.418 3.944 ( 0.993 -1.333 -2.397) 2.917 21.854 ( 4.803 -0.997 15.782) 16.527 22.221 ( -5.358 4.747 7.612) 10.450 23.065 ( 2.798 -6.615 -7.716) 10.542 23.400 ( -9.000 -9.524 -12.563) 18.153 23.495 ( -6.493 -10.518 2.703) 12.652 23.621 ( -7.325 -2.622 -3.819) 8.667 24.168 ( -3.262 -8.405 -5.399) 10.509 24.579 ( -13.567 -1.443 -9.749) 16.769 25.699 ( 0.595 -2.191 9.651) 9.914 25.936 ( -4.505 1.657 0.825) 4.870 26.573 ( 5.022 -27.374 2.988) 27.991 27.006 ( -11.834 -25.316 -3.298) 28.139 30.715 ( 11.965 1.672 1.083) 12.130 30.888 ( 5.226 0.549 2.635) 5.879 31.181 ( 14.656 -7.581 -6.139) 17.605 31.361 ( 10.791 -7.875 -10.752) 17.149 34.168 ( 4.603 10.915 7.775) 14.169 34.494 ( -4.951 11.072 5.576) 13.349 35.219 ( 2.899 4.862 -14.779) 15.826 35.366 ( -1.797 7.979 -13.731) 15.983 36.344 ( 5.660 -2.694 7.669) 9.905 36.648 ( 1.166 -4.282 0.819) 4.513 37.210 ( -7.853 -15.186 11.728) 20.733 37.301 ( -5.536 -13.403 7.420) 16.290 ======================= Grid point 301 (100/200) ======================= q-point: ( 0.44 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 8.286 2.871 8.138) 11.963 1.791 ( 1.576 2.682 5.969) 6.732 2.132 ( 3.520 6.474 -1.274) 7.478 2.252 ( -5.971 6.467 2.622) 9.184 2.363 ( -2.988 0.308 4.610) 5.502 2.474 ( -10.760 2.567 1.607) 11.178 2.908 ( 7.785 8.447 -7.577) 13.761 3.054 ( -6.180 8.683 -6.887) 12.689 3.251 ( 9.005 13.307 7.391) 17.686 3.431 ( -8.542 10.448 6.092) 14.807 3.876 ( 4.244 -0.183 -5.510) 6.958 3.937 ( -1.749 -0.843 -4.156) 4.587 21.967 ( 6.351 2.801 12.903) 14.652 22.099 ( -6.613 5.011 10.020) 13.010 23.135 ( 4.208 -7.843 -9.983) 13.374 23.240 ( -6.594 -9.669 -11.149) 16.164 23.430 ( 0.099 -7.542 2.004) 7.804 23.491 ( -5.374 -4.871 -1.010) 7.323 24.166 ( 3.737 -9.596 -7.662) 12.836 24.319 ( -11.202 -6.851 -9.072) 15.960 25.753 ( 4.111 0.041 5.607) 6.953 25.844 ( -4.737 1.066 2.539) 5.479 26.682 ( 5.996 -29.206 1.226) 29.840 26.817 ( -7.725 -28.811 -0.639) 29.836 30.889 ( 5.662 2.444 2.504) 6.656 30.944 ( 0.143 1.994 2.878) 3.504 31.416 ( 8.175 -8.198 -7.851) 13.988 31.487 ( 1.394 -8.409 -9.685) 12.902 34.271 ( 5.573 11.128 6.810) 14.187 34.385 ( -5.780 11.202 5.918) 13.925 35.276 ( 2.737 5.906 -14.073) 15.505 35.326 ( -2.248 6.994 -13.732) 15.573 36.475 ( 7.135 -2.975 9.337) 12.122 36.607 ( -5.245 -3.294 7.625) 9.824 37.135 ( 0.485 -13.653 6.158) 14.985 37.196 ( -4.736 -13.268 4.922) 14.923 ======================= Grid point 306 (101/200) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.000 14.034 0.863) 14.060 1.799 ( 0.000 14.839 5.630) 15.872 2.486 ( 0.000 1.907 -11.775) 11.928 2.555 ( 0.000 4.222 0.055) 4.222 2.582 ( 0.000 3.627 4.122) 5.490 2.975 ( 0.000 17.698 0.935) 17.723 3.253 ( 0.000 0.651 -7.967) 7.993 3.315 ( 0.000 -1.235 8.227) 8.319 3.348 ( 0.000 -1.302 -0.542) 1.410 3.585 ( 0.000 11.826 8.208) 14.395 3.760 ( 0.000 -1.313 -1.853) 2.271 3.877 ( 0.000 5.971 0.790) 6.023 21.600 ( 0.000 -2.162 10.224) 10.450 22.327 ( 0.000 -2.766 -1.472) 3.134 22.886 ( 0.000 -6.407 -2.706) 6.955 23.543 ( 0.000 -9.388 -20.105) 22.189 23.837 ( 0.000 -6.814 -4.887) 8.386 23.854 ( 0.000 -8.926 -0.755) 8.958 24.354 ( 0.000 5.833 5.139) 7.774 24.953 ( 0.000 2.555 -5.438) 6.008 25.953 ( 0.000 -0.203 18.324) 18.325 25.961 ( 0.000 -15.461 1.126) 15.502 26.076 ( 0.000 -5.883 8.606) 10.424 27.939 ( 0.000 -14.973 -19.346) 24.463 29.655 ( 0.000 5.170 6.412) 8.236 30.331 ( 0.000 -3.887 -6.999) 8.006 30.479 ( 0.000 -1.855 1.844) 2.615 30.665 ( 0.000 -6.175 -3.195) 6.953 34.223 ( 0.000 8.710 7.859) 11.732 34.871 ( 0.000 11.686 6.405) 13.326 35.111 ( 0.000 -3.160 -11.667) 12.087 35.587 ( 0.000 5.211 -12.058) 13.136 36.159 ( 0.000 -0.749 -0.109) 0.757 36.382 ( 0.000 -4.549 -5.136) 6.861 37.120 ( 0.000 -17.003 9.587) 19.519 37.290 ( 0.000 -19.429 11.793) 22.728 ======================= Grid point 307 (102/200) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 1.429 13.006 2.776) 13.376 1.777 ( -1.210 14.361 5.187) 15.317 2.421 ( -6.294 1.727 -9.243) 11.316 2.543 ( 0.233 4.154 -2.986) 5.121 2.643 ( 4.427 3.346 2.736) 6.187 2.976 ( -1.892 13.801 3.327) 14.322 3.097 ( -8.645 0.550 2.553) 9.031 3.290 ( -1.834 4.447 -3.445) 5.917 3.466 ( 2.559 4.622 0.907) 5.361 3.539 ( -0.028 0.649 2.610) 2.689 3.784 ( 1.402 2.982 1.171) 3.498 3.898 ( 1.936 5.988 1.313) 6.429 21.631 ( 3.068 -1.648 10.081) 10.666 22.334 ( 0.577 -1.852 -0.701) 2.063 22.881 ( -0.468 -6.820 -3.296) 7.589 23.509 ( -3.944 -10.396 -20.099) 22.969 23.670 ( -11.211 -9.040 1.449) 14.475 23.853 ( -3.731 -4.880 -5.081) 7.972 24.320 ( -3.697 4.354 4.189) 7.083 24.958 ( -0.128 3.574 -6.171) 7.132 25.812 ( -9.309 -4.836 14.161) 17.624 26.021 ( 1.711 -12.889 7.382) 14.952 26.054 ( -1.909 -5.910 3.803) 7.282 27.551 ( -31.560 -15.618 -14.007) 37.897 29.961 ( 23.890 2.632 2.670) 24.182 30.455 ( 11.658 -3.831 -5.289) 13.362 30.560 ( 7.722 -1.180 1.473) 7.949 30.746 ( 7.866 -5.992 -3.743) 10.573 34.241 ( 1.787 8.799 7.747) 11.859 34.855 ( -1.672 11.458 6.012) 13.047 35.129 ( 1.758 -2.913 -11.489) 11.982 35.572 ( -1.365 4.958 -12.228) 13.266 36.170 ( 1.213 -0.938 0.760) 1.711 36.414 ( 2.973 -4.462 -4.838) 7.222 37.096 ( -2.472 -16.970 9.349) 19.532 37.245 ( -4.319 -17.801 11.508) 21.632 ======================= Grid point 308 (103/200) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 1.188 10.235 8.388) 13.286 1.794 ( 2.976 12.608 1.918) 13.096 2.275 ( -6.905 2.246 -6.762) 9.922 2.555 ( -0.568 4.463 -0.015) 4.499 2.725 ( 2.813 2.661 -5.391) 6.637 2.779 ( -11.610 -0.573 5.286) 12.770 3.056 ( -5.345 8.084 3.298) 10.237 3.199 ( -0.785 9.047 1.031) 9.140 3.442 ( -2.249 7.287 -3.986) 8.605 3.643 ( 6.998 -1.463 -1.365) 7.278 3.793 ( -0.720 6.074 3.440) 7.018 3.943 ( 2.193 5.360 1.551) 5.995 21.720 ( 5.838 -0.285 9.625) 11.261 22.339 ( -0.463 0.444 1.307) 1.457 22.875 ( 0.102 -8.163 -4.924) 9.534 23.341 ( -11.920 -14.187 -9.162) 20.672 23.495 ( -5.932 -4.844 -3.738) 8.522 23.730 ( -7.683 -3.213 -6.229) 10.400 24.197 ( -8.528 0.779 2.089) 8.815 24.890 ( -8.811 5.526 -6.589) 12.312 25.640 ( -5.820 -6.152 11.950) 14.647 26.002 ( -3.361 -5.938 0.553) 6.846 26.041 ( 0.653 -16.058 5.025) 16.839 26.918 ( -28.364 -21.017 -7.641) 36.119 30.420 ( 20.356 1.062 1.211) 20.419 30.724 ( 12.024 -1.382 0.690) 12.123 30.771 ( 13.965 -2.038 -1.738) 14.220 30.962 ( 12.945 -6.315 -5.526) 15.427 34.294 ( 3.493 9.065 7.396) 12.209 34.804 ( -3.455 11.000 5.298) 12.689 35.179 ( 3.240 -2.260 -11.242) 11.916 35.535 ( -2.331 4.211 -12.449) 13.347 36.212 ( 3.104 -1.305 2.771) 4.361 36.488 ( 4.129 -4.433 -3.609) 7.051 37.018 ( -5.363 -16.432 9.406) 19.679 37.139 ( -5.647 -14.374 9.612) 18.190 ======================= Grid point 309 (104/200) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.717 6.609 10.780) 13.496 1.857 ( 2.193 8.430 1.592) 8.855 2.196 ( -0.129 3.873 -4.367) 5.838 2.482 ( -7.620 4.299 2.004) 8.975 2.527 ( -8.758 0.086 5.038) 10.104 2.794 ( -11.590 3.683 -0.151) 12.162 2.876 ( 4.318 1.513 -8.784) 9.904 3.270 ( 1.121 8.330 -2.462) 8.758 3.410 ( 1.793 10.657 0.673) 10.828 3.746 ( -2.420 8.487 3.606) 9.533 3.786 ( 5.513 1.294 -0.771) 5.715 3.972 ( 0.519 4.052 0.689) 4.143 21.859 ( 7.952 1.474 8.767) 11.928 22.301 ( -3.594 2.827 3.742) 5.908 22.892 ( 1.714 -10.095 -6.954) 12.378 23.129 ( -8.301 -12.718 -4.469) 15.831 23.388 ( -4.733 -3.329 -3.023) 6.529 23.579 ( -7.294 -1.298 -4.232) 8.532 24.016 ( -7.740 -5.224 -2.440) 9.651 24.585 ( -19.854 2.075 -5.683) 20.755 25.620 ( 2.939 -5.647 5.177) 8.206 25.913 ( -5.209 -4.627 -2.440) 7.382 26.066 ( 2.138 -20.794 4.740) 21.434 26.485 ( -15.336 -24.680 -2.140) 29.135 30.753 ( 13.083 1.654 2.123) 13.357 30.910 ( 6.916 1.489 2.265) 7.429 31.060 ( 13.408 -4.292 -2.392) 14.280 31.208 ( 10.242 -6.901 -6.123) 13.784 34.379 ( 4.944 9.465 6.792) 12.656 34.718 ( -5.053 10.592 4.971) 12.745 35.254 ( 4.106 -1.253 -11.270) 12.060 35.482 ( -2.987 3.052 -12.387) 13.102 36.294 ( 5.069 -1.930 5.051) 7.412 36.558 ( 2.004 -4.322 -0.235) 4.770 36.901 ( -5.154 -14.134 8.452) 17.256 37.032 ( -5.069 -12.549 6.241) 14.904 ======================= Grid point 310 (105/200) ======================= q-point: ( 0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 6.140 3.562 9.695) 12.016 1.861 ( -1.865 3.992 5.203) 6.818 2.258 ( 4.626 5.224 -1.711) 7.185 2.347 ( -4.018 -1.416 5.154) 6.687 2.404 ( -2.555 7.623 -0.561) 8.060 2.526 ( -11.685 2.880 0.035) 12.035 3.030 ( 8.348 3.121 -10.319) 13.635 3.187 ( -7.011 3.595 -9.242) 12.144 3.527 ( 7.223 13.063 6.094) 16.123 3.658 ( -5.696 11.199 5.573) 13.745 3.894 ( 4.460 2.080 -1.353) 5.104 3.958 ( -1.977 2.988 -0.466) 3.613 22.029 ( 8.738 3.058 7.470) 11.896 22.192 ( -7.179 3.765 5.822) 9.980 22.943 ( 3.177 -10.980 -8.122) 14.023 23.012 ( -4.029 -11.042 -6.453) 13.409 23.338 ( 0.754 -1.783 1.170) 2.262 23.429 ( -7.344 -0.141 1.366) 7.472 23.974 ( 4.756 -8.809 -7.571) 12.551 24.199 ( -16.791 -4.881 -7.060) 18.858 25.708 ( 5.103 -4.761 0.698) 7.015 25.809 ( -5.088 -5.032 -1.824) 7.385 26.134 ( 4.788 -23.087 3.302) 23.809 26.261 ( -8.202 -24.141 1.299) 25.530 30.942 ( 5.904 2.435 2.738) 6.948 30.991 ( 0.970 2.391 2.657) 3.703 31.272 ( 7.271 -5.737 -3.581) 9.930 31.331 ( 1.653 -6.692 -5.037) 8.537 34.488 ( 5.861 9.893 6.007) 12.973 34.607 ( -5.940 10.258 5.279) 12.976 35.337 ( 4.158 0.096 -11.602) 12.325 35.416 ( -3.632 1.617 -12.049) 12.688 36.410 ( 6.381 -2.989 6.776) 9.776 36.530 ( -4.733 -3.988 5.785) 8.471 36.865 ( 1.719 -12.079 3.937) 12.820 36.935 ( -4.574 -11.794 3.790) 13.206 ======================= Grid point 315 (106/200) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 12.741 -2.383) 12.962 2.088 ( 0.000 13.073 3.273) 13.477 2.485 ( 0.000 -1.816 -10.443) 10.600 2.628 ( 0.000 2.157 -6.215) 6.579 2.647 ( 0.000 3.573 9.053) 9.733 3.138 ( 0.000 -7.551 -3.233) 8.214 3.256 ( 0.000 1.177 5.477) 5.602 3.324 ( 0.000 10.662 0.653) 10.682 3.423 ( 0.000 3.312 -0.141) 3.315 3.669 ( 0.000 -4.030 -3.489) 5.330 3.834 ( 0.000 11.474 8.168) 14.085 4.047 ( 0.000 7.506 3.173) 8.149 21.629 ( 0.000 4.596 1.239) 4.760 22.256 ( 0.000 -4.121 -7.411) 8.480 22.774 ( 0.000 -4.275 -0.870) 4.363 23.274 ( 0.000 -15.713 -17.997) 23.891 23.714 ( 0.000 -4.933 -0.346) 4.945 23.717 ( 0.000 -4.539 -1.373) 4.742 24.513 ( 0.000 9.075 6.169) 10.973 24.989 ( 0.000 0.639 -4.496) 4.541 25.677 ( 0.000 -10.817 3.774) 11.456 25.914 ( 0.000 -7.236 -1.529) 7.396 26.065 ( 0.000 8.111 22.242) 23.675 27.568 ( 0.000 -20.474 -11.588) 23.526 29.749 ( 0.000 4.118 2.501) 4.818 30.227 ( 0.000 -6.435 -7.608) 9.964 30.466 ( 0.000 0.560 2.927) 2.980 30.582 ( 0.000 -2.077 0.261) 2.094 34.386 ( 0.000 7.275 5.739) 9.266 35.003 ( 0.000 -6.838 -7.363) 10.049 35.112 ( 0.000 11.549 4.762) 12.492 35.646 ( 0.000 0.677 -7.402) 7.433 36.163 ( 0.000 1.078 -2.484) 2.708 36.317 ( 0.000 -1.687 -4.231) 4.554 36.791 ( 0.000 -14.490 7.019) 16.101 36.929 ( 0.000 -15.604 7.611) 17.362 ======================= Grid point 316 (107/200) ======================= q-point: ( 0.11 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.389 12.050 -0.205) 12.058 2.056 ( -2.188 12.544 3.205) 13.131 2.431 ( -5.268 -0.934 -7.818) 9.473 2.608 ( -0.383 1.436 -5.736) 5.925 2.701 ( 3.820 3.039 4.185) 6.430 2.992 ( -10.920 -2.784 1.596) 11.381 3.292 ( -4.658 0.792 0.695) 4.776 3.322 ( 3.120 5.260 -0.334) 6.125 3.475 ( 4.324 1.559 1.896) 4.972 3.611 ( -1.811 3.233 -2.969) 4.748 3.891 ( 3.542 8.203 6.086) 10.811 4.057 ( 0.906 7.190 3.409) 8.009 21.663 ( 3.409 4.473 1.501) 5.821 22.276 ( 1.877 -3.804 -6.814) 8.027 22.758 ( -1.520 -4.710 -1.205) 5.093 23.226 ( -5.170 -15.367 -15.147) 22.188 23.551 ( -9.189 -3.423 0.703) 9.831 23.746 ( -2.523 -5.139 -4.287) 7.152 24.468 ( -4.748 9.459 6.769) 12.563 25.017 ( 2.364 1.604 -5.063) 5.814 25.652 ( -3.093 -9.350 3.939) 10.607 25.901 ( -4.517 -3.590 4.720) 7.455 25.935 ( -8.086 -1.074 12.949) 15.304 27.181 ( -33.245 -19.767 -9.633) 39.859 30.007 ( 21.079 1.980 1.311) 21.212 30.367 ( 13.103 -5.212 -5.875) 15.277 30.552 ( 8.131 0.458 2.574) 8.540 30.663 ( 7.654 -2.127 -0.077) 7.945 34.406 ( 2.007 7.391 5.680) 9.534 35.020 ( 1.530 -5.863 -7.193) 9.406 35.095 ( -1.581 10.396 4.410) 11.403 35.626 ( -1.918 0.379 -7.768) 8.010 36.171 ( 0.973 1.044 -1.497) 2.068 36.348 ( 2.805 -1.889 -4.042) 5.271 36.772 ( -1.951 -14.064 7.072) 15.863 36.910 ( -1.917 -14.686 7.166) 16.453 ======================= Grid point 317 (108/200) ======================= q-point: ( 0.22 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -1.925 9.856 5.885) 11.640 2.039 ( 0.103 10.885 0.419) 10.894 2.307 ( -5.469 0.638 -4.471) 7.093 2.626 ( 0.350 0.369 -3.376) 3.414 2.724 ( -7.695 1.281 2.335) 8.143 2.797 ( -0.845 1.088 -2.970) 3.274 3.102 ( -12.918 -0.668 0.821) 12.962 3.365 ( 0.215 0.306 -3.731) 3.749 3.541 ( 3.436 6.800 1.122) 7.701 3.684 ( 7.316 4.899 -0.562) 8.823 3.939 ( 1.084 7.828 5.461) 9.606 4.076 ( 0.761 6.324 3.466) 7.251 21.762 ( 6.424 4.145 2.108) 7.930 22.318 ( 1.835 -2.753 -4.821) 5.846 22.717 ( -2.399 -6.340 -2.097) 7.096 23.072 ( -9.016 -11.881 -5.904) 16.041 23.403 ( -5.351 -3.489 -3.995) 7.535 23.643 ( -6.595 -4.831 -6.563) 10.483 24.305 ( -11.947 9.493 7.784) 17.130 25.024 ( -5.429 6.966 -5.836) 10.585 25.504 ( -9.773 -6.989 7.445) 14.134 25.733 ( -4.477 -10.248 9.436) 14.632 25.886 ( -2.833 -8.267 -2.739) 9.159 26.473 ( -32.743 -21.644 -6.310) 39.754 30.435 ( 20.083 0.625 0.870) 20.112 30.687 ( 17.023 -2.886 -2.423) 17.435 30.755 ( 11.158 0.328 1.703) 11.292 30.860 ( 11.417 -3.076 -1.167) 11.881 34.465 ( 3.905 7.720 5.466) 10.233 35.017 ( -3.194 7.858 1.128) 8.557 35.097 ( 3.036 -3.623 -4.323) 6.406 35.572 ( -3.419 -0.495 -8.359) 9.045 36.207 ( 2.654 0.859 0.539) 2.841 36.416 ( 3.709 -2.499 -3.106) 5.445 36.716 ( -3.461 -12.556 7.079) 14.824 36.858 ( -3.111 -12.703 5.875) 14.337 ======================= Grid point 318 (109/200) ======================= q-point: ( 0.33 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 1.293 7.027 9.111) 11.578 2.014 ( -2.719 6.451 0.951) 7.065 2.270 ( 1.577 3.001 -1.961) 3.917 2.472 ( -10.780 -1.554 4.744) 11.880 2.628 ( -3.632 5.804 -1.118) 6.938 2.820 ( -10.925 -0.383 -2.097) 11.131 2.893 ( 4.628 0.671 -9.046) 10.183 3.315 ( -4.754 -2.803 -8.253) 9.929 3.645 ( 6.432 10.957 3.750) 13.247 3.835 ( 7.189 3.824 0.619) 8.166 3.934 ( -1.636 8.560 5.366) 10.235 4.078 ( -0.726 5.325 2.925) 6.119 21.913 ( 8.569 3.711 2.641) 9.704 22.329 ( -1.231 -0.371 -1.272) 1.809 22.678 ( -0.857 -9.240 -3.095) 9.782 22.915 ( -6.381 -8.684 -1.815) 10.928 23.330 ( -1.986 -1.900 -4.077) 4.917 23.539 ( -2.700 -3.115 -7.446) 8.510 24.009 ( -16.107 5.314 5.951) 17.974 24.665 ( -27.407 5.372 -3.463) 28.142 25.457 ( 3.749 -10.255 1.483) 11.019 25.682 ( -1.982 -13.285 4.940) 14.311 25.788 ( -5.843 -10.505 -4.273) 12.757 26.023 ( -12.237 -19.229 -1.071) 22.818 30.779 ( 14.049 1.015 1.509) 14.167 30.946 ( 7.812 1.817 1.873) 8.236 30.994 ( 12.354 -2.619 -0.804) 12.654 31.084 ( 9.841 -4.895 -2.412) 11.253 34.559 ( 5.459 8.200 5.044) 11.067 34.927 ( -5.451 9.534 3.166) 11.429 35.181 ( 5.030 -5.313 -6.758) 9.960 35.493 ( -4.440 -1.798 -8.549) 9.799 36.274 ( 4.051 0.167 2.623) 4.829 36.479 ( 1.845 -3.146 -0.418) 3.671 36.648 ( -2.587 -10.195 5.677) 11.952 36.790 ( -3.595 -10.832 4.108) 12.130 ======================= Grid point 319 (110/200) ======================= q-point: ( 0.44 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 4.604 4.856 9.054) 11.258 1.952 ( -3.631 4.798 5.046) 7.852 2.291 ( -0.392 -2.652 4.680) 5.393 2.329 ( -3.422 -0.040 1.801) 3.867 2.554 ( -0.902 6.911 -2.851) 7.530 2.626 ( -6.881 7.070 -4.336) 10.777 3.038 ( 7.989 -1.967 -11.141) 13.850 3.193 ( -7.217 -2.685 -10.360) 12.908 3.773 ( 6.014 10.537 4.873) 13.074 3.876 ( -4.106 9.554 5.181) 11.618 3.960 ( 5.259 3.926 1.386) 6.708 4.042 ( -2.936 4.493 2.128) 5.773 22.093 ( 9.051 3.297 2.706) 10.005 22.253 ( -6.390 2.423 1.816) 7.071 22.706 ( 3.707 -11.129 -3.825) 12.338 22.803 ( -5.338 -9.590 -2.997) 11.378 23.348 ( 4.626 2.748 0.156) 5.383 23.491 ( -6.285 5.384 -0.066) 8.276 23.818 ( 3.115 -5.777 -3.917) 7.643 24.120 ( -23.836 -2.826 -5.188) 24.557 25.548 ( 4.091 -10.354 -0.822) 11.163 25.619 ( -3.597 -12.090 -0.262) 12.617 25.761 ( 3.012 -13.603 0.561) 13.944 25.861 ( -6.234 -14.739 0.442) 16.009 30.985 ( 6.457 1.731 1.976) 6.971 31.037 ( 1.149 1.991 1.957) 3.020 31.179 ( 5.780 -3.505 -1.116) 6.851 31.212 ( 2.531 -4.788 -2.046) 5.789 34.679 ( 6.356 8.724 4.438) 11.670 34.807 ( -6.374 9.202 3.782) 11.815 35.288 ( 5.533 -4.532 -7.604) 10.439 35.396 ( -5.195 -3.249 -8.244) 10.272 36.364 ( 4.780 -1.274 4.267) 6.532 36.455 ( -3.833 -3.000 4.312) 6.503 36.651 ( 2.577 -8.596 1.929) 9.179 36.717 ( -3.665 -9.337 2.431) 10.321 ======================= Grid point 324 (111/200) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 10.555 -4.690) 11.550 2.324 ( 0.000 8.239 -1.607) 8.394 2.425 ( 0.000 -2.530 -5.067) 5.664 2.629 ( 0.000 -2.274 -3.077) 3.826 2.734 ( 0.000 4.789 6.246) 7.871 2.983 ( 0.000 -7.228 -0.157) 7.230 3.255 ( 0.000 1.173 3.654) 3.837 3.409 ( 0.000 -4.068 0.509) 4.099 3.535 ( 0.000 7.618 -1.499) 7.764 3.642 ( 0.000 0.589 -3.112) 3.167 4.038 ( 0.000 8.041 7.354) 10.896 4.155 ( 0.000 2.718 4.508) 5.264 21.774 ( 0.000 9.105 -6.738) 11.327 22.149 ( 0.000 -6.597 -12.645) 14.262 22.720 ( 0.000 -0.654 0.378) 0.755 22.960 ( 0.000 -13.320 -7.398) 15.236 23.641 ( 0.000 -2.242 -0.279) 2.260 23.647 ( 0.000 -2.381 -0.499) 2.433 24.707 ( 0.000 9.306 3.908) 10.094 24.970 ( 0.000 -2.648 -2.295) 3.504 25.544 ( 0.000 -1.931 3.727) 4.197 25.741 ( 0.000 -8.688 -0.752) 8.721 26.316 ( 0.000 15.456 13.957) 20.825 27.123 ( 0.000 -22.040 -3.299) 22.285 29.834 ( 0.000 4.432 -1.613) 4.716 30.081 ( 0.000 -7.323 -6.945) 10.093 30.494 ( 0.000 1.859 3.899) 4.320 30.557 ( 0.000 -0.914 2.598) 2.754 34.531 ( 0.000 7.053 3.023) 7.674 34.846 ( 0.000 -8.056 -3.539) 8.799 35.338 ( 0.000 10.069 2.430) 10.358 35.620 ( 0.000 -3.116 -3.495) 4.682 36.202 ( 0.000 2.813 -2.216) 3.581 36.308 ( 0.000 0.266 -2.419) 2.434 36.544 ( 0.000 -8.773 3.731) 9.533 36.653 ( 0.000 -11.066 3.728) 11.677 ======================= Grid point 325 (112/200) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -1.648 10.168 -2.229) 10.539 2.289 ( -2.991 10.009 1.359) 10.534 2.377 ( -3.894 -4.275 -6.123) 8.422 2.583 ( -2.508 -3.724 -3.662) 5.794 2.783 ( 3.231 4.668 3.577) 6.710 2.945 ( -5.066 -2.157 -0.845) 5.570 3.235 ( -2.400 -2.048 1.709) 3.589 3.323 ( -6.009 -4.041 1.684) 7.434 3.595 ( 4.709 6.567 -1.208) 8.171 3.674 ( 3.280 2.234 -2.806) 4.861 4.061 ( 1.781 7.179 6.930) 10.136 4.163 ( 0.633 2.753 4.631) 5.425 21.802 ( 2.747 8.638 -6.008) 10.874 22.170 ( 1.905 -6.808 -11.944) 13.879 22.700 ( -1.989 -0.623 0.326) 2.109 22.930 ( -2.956 -12.304 -6.059) 14.029 23.520 ( -7.792 0.356 0.317) 7.807 23.645 ( -3.321 -4.662 -2.386) 6.202 24.685 ( -2.600 10.951 4.941) 12.292 25.006 ( 3.524 -2.966 -2.292) 5.145 25.528 ( -1.771 -1.950 3.543) 4.415 25.730 ( -1.249 -9.036 -0.895) 9.166 26.083 ( -21.353 11.331 11.616) 26.819 26.763 ( -32.095 -20.155 -3.692) 38.078 30.053 ( 18.732 2.810 -1.225) 18.982 30.245 ( 15.102 -6.119 -5.371) 17.157 30.578 ( 7.930 1.766 3.556) 8.868 30.638 ( 7.578 -0.883 2.190) 7.937 34.554 ( 2.217 7.135 3.010) 8.055 34.869 ( 2.212 -7.960 -3.552) 8.992 35.310 ( -2.671 9.741 2.332) 10.366 35.594 ( -2.592 -3.460 -3.748) 5.722 36.213 ( 1.161 3.096 -1.499) 3.630 36.332 ( 2.199 -0.104 -2.318) 3.197 36.535 ( -0.849 -8.252 3.807) 9.127 36.646 ( -0.679 -10.666 3.541) 11.259 ======================= Grid point 326 (113/200) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -4.341 8.497 4.121) 10.394 2.211 ( -5.904 3.188 -0.002) 6.709 2.318 ( -0.060 2.941 -2.644) 3.955 2.564 ( -1.417 -4.855 -3.551) 6.180 2.798 ( -4.659 3.659 -0.770) 5.974 2.816 ( -2.998 1.009 -1.839) 3.659 3.088 ( -9.769 0.214 -0.111) 9.772 3.269 ( -1.637 -6.574 -2.623) 7.264 3.703 ( 6.050 6.583 0.504) 8.955 3.772 ( 6.266 2.865 -0.840) 6.941 4.090 ( 0.868 6.259 6.186) 8.843 4.173 ( 0.209 2.709 4.601) 5.343 21.882 ( 5.254 7.283 -4.098) 9.871 22.216 ( 2.490 -7.040 -9.502) 12.085 22.645 ( -3.419 -0.407 0.373) 3.463 22.850 ( -4.700 -9.466 -2.895) 10.958 23.377 ( -5.616 1.120 -1.777) 5.996 23.540 ( -6.020 -5.098 -4.008) 8.849 24.565 ( -10.978 15.070 7.588) 20.130 25.103 ( 5.908 -2.833 -2.472) 7.004 25.401 ( -19.148 -0.251 2.753) 19.347 25.611 ( -13.553 -2.064 5.208) 14.665 25.700 ( -5.274 -8.138 0.139) 9.699 26.055 ( -32.412 -18.185 -3.925) 37.372 30.457 ( 19.872 1.752 -0.411) 19.954 30.602 ( 18.598 -4.749 -2.885) 19.410 30.778 ( 11.115 1.495 2.652) 11.524 30.826 ( 10.412 -0.884 1.388) 10.541 34.619 ( 4.286 7.362 2.925) 9.007 34.933 ( 4.203 -7.614 -3.648) 9.431 35.235 ( -4.698 8.982 2.179) 10.368 35.521 ( -4.545 -4.275 -4.164) 7.501 36.249 ( 2.383 3.258 -0.084) 4.037 36.385 ( 2.862 -0.844 -1.779) 3.474 36.512 ( -1.411 -6.884 3.934) 8.053 36.625 ( -1.371 -9.596 3.059) 10.165 ======================= Grid point 327 (114/200) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -1.037 6.548 7.212) 9.796 2.101 ( -3.955 1.188 1.583) 4.423 2.319 ( -2.529 2.470 2.264) 4.198 2.446 ( -8.353 -1.551 1.687) 8.662 2.713 ( -4.505 2.547 -2.174) 5.613 2.808 ( 3.016 -1.132 -8.937) 9.500 2.934 ( -4.816 4.346 -4.378) 7.826 3.209 ( -4.455 -6.690 -7.144) 10.753 3.830 ( 6.428 6.660 2.449) 9.574 3.906 ( 6.747 2.397 1.145) 7.251 4.088 ( -1.240 6.032 5.469) 8.236 4.163 ( -1.316 2.506 4.118) 4.997 22.009 ( 7.438 5.530 -1.810) 9.444 22.269 ( 2.984 -5.482 -5.364) 8.230 22.567 ( -4.414 -1.056 0.382) 4.554 22.748 ( -5.745 -7.625 -0.998) 9.599 23.326 ( 1.142 1.637 -3.329) 3.881 23.463 ( -0.145 -3.886 -5.334) 6.601 24.217 ( -22.504 13.934 7.231) 27.439 24.748 ( -37.626 -0.846 -0.952) 37.648 25.237 ( 6.527 -7.174 -0.671) 9.722 25.497 ( -2.929 -4.937 3.476) 6.711 25.544 ( -7.480 -11.606 -4.155) 14.419 25.708 ( -6.126 -11.845 -0.087) 13.336 30.805 ( 14.460 1.712 0.402) 14.566 30.927 ( 13.063 -3.758 -1.172) 13.644 30.980 ( 8.263 1.304 1.499) 8.499 31.020 ( 8.419 -1.459 0.665) 8.570 34.722 ( 5.930 7.686 2.688) 10.073 35.030 ( 4.876 -5.755 -3.853) 8.470 35.131 ( -5.230 6.941 2.130) 8.949 35.417 ( -5.745 -5.258 -4.330) 8.911 36.304 ( 2.987 2.687 1.320) 4.229 36.435 ( 1.568 -1.088 -0.317) 1.934 36.485 ( -0.784 -5.659 3.389) 6.643 36.592 ( -1.900 -8.185 2.385) 8.735 ======================= Grid point 328 (115/200) ======================= q-point: ( 0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 3.830 5.430 7.701) 10.172 2.053 ( -2.473 4.507 4.321) 6.715 2.222 ( -2.724 -3.492 6.319) 7.717 2.290 ( -7.356 -3.400 3.454) 8.809 2.700 ( 3.091 7.131 -6.261) 9.980 2.787 ( -4.674 7.987 -6.633) 11.386 2.965 ( 6.302 -4.776 -10.092) 12.820 3.098 ( -6.441 -6.079 -9.494) 12.984 3.950 ( 5.422 6.450 3.811) 9.248 4.029 ( 5.396 2.193 2.388) 6.295 4.040 ( -3.499 6.173 4.747) 8.537 4.117 ( -3.377 2.280 3.348) 5.273 22.173 ( 8.558 4.631 -0.162) 9.732 22.304 ( -2.198 2.442 -0.773) 3.375 22.504 ( 1.027 -7.892 -1.310) 8.066 22.614 ( -7.410 -8.584 -1.254) 11.409 23.435 ( 9.965 5.066 -0.872) 11.213 23.578 ( 9.442 0.655 -4.788) 10.607 23.788 ( -15.339 4.409 2.148) 16.104 24.061 ( -28.980 -3.835 -3.380) 29.428 25.352 ( 4.692 -6.247 0.207) 7.815 25.432 ( -3.672 -4.705 1.994) 6.293 25.515 ( 3.144 -10.723 -1.898) 11.334 25.606 ( -5.030 -10.685 -0.591) 11.824 31.019 ( 6.734 1.681 0.898) 6.999 31.071 ( 1.438 1.352 1.218) 2.319 31.116 ( 4.981 -2.831 -0.604) 5.761 31.138 ( 2.765 -2.384 -0.007) 3.651 34.850 ( 6.816 8.036 2.283) 10.782 34.987 ( -6.601 8.233 1.624) 10.676 35.167 ( 6.246 -6.870 -3.506) 9.924 35.295 ( -6.407 -6.218 -4.148) 9.845 36.364 ( 2.969 1.369 2.423) 4.069 36.418 ( -2.312 -0.350 2.793) 3.643 36.508 ( 2.177 -5.471 1.002) 5.973 36.551 ( -2.160 -6.714 1.594) 7.231 ======================= Grid point 333 (116/200) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 0.000 -7.630 -7.104) 10.425 2.270 ( 0.000 7.630 -7.104) 10.425 2.532 ( 0.000 -6.893 0.654) 6.924 2.532 ( 0.000 6.893 0.654) 6.924 2.845 ( 0.000 -6.083 2.912) 6.745 2.845 ( 0.000 6.083 2.912) 6.745 3.314 ( 0.000 -4.263 1.166) 4.419 3.314 ( 0.000 4.263 1.166) 4.419 3.634 ( 0.000 -2.211 -2.107) 3.054 3.634 ( 0.000 2.211 -2.107) 3.054 4.153 ( 0.000 -2.922 5.948) 6.627 4.153 ( 0.000 2.922 5.948) 6.627 21.977 ( 0.000 -9.799 -12.744) 16.075 21.977 ( 0.000 9.799 -12.744) 16.075 22.764 ( 0.000 -5.477 -0.410) 5.492 22.764 ( 0.000 5.477 -0.410) 5.492 23.620 ( 0.000 -0.168 -0.222) 0.279 23.620 ( 0.000 0.168 -0.222) 0.279 24.875 ( 0.000 -6.579 0.684) 6.614 24.875 ( 0.000 6.579 0.684) 6.614 25.587 ( 0.000 -5.518 1.522) 5.724 25.587 ( 0.000 5.518 1.522) 5.724 26.685 ( 0.000 -20.017 5.318) 20.711 26.685 ( 0.000 20.017 5.318) 20.711 29.941 ( 0.000 -6.031 -4.870) 7.752 29.941 ( 0.000 6.031 -4.870) 7.752 30.532 ( 0.000 -1.608 3.812) 4.137 30.532 ( 0.000 1.608 3.812) 4.137 34.683 ( 0.000 -7.691 -0.098) 7.692 34.683 ( 0.000 7.691 -0.098) 7.692 35.516 ( 0.000 -6.994 -0.392) 7.005 35.516 ( 0.000 6.994 -0.392) 7.005 36.276 ( 0.000 -3.750 -0.389) 3.770 36.276 ( 0.000 3.750 -0.389) 3.770 36.490 ( 0.000 -3.952 1.032) 4.084 36.490 ( 0.000 3.952 1.032) 4.084 ======================= Grid point 335 (117/200) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -2.520 -7.548 -4.251) 9.022 2.254 ( -2.520 7.548 -4.251) 9.022 2.467 ( -3.717 -7.222 -0.411) 8.133 2.467 ( -3.717 7.222 -0.411) 8.133 2.880 ( 1.192 -4.281 0.491) 4.471 2.880 ( 1.192 4.281 0.491) 4.471 3.244 ( -5.689 -2.776 1.650) 6.542 3.244 ( -5.689 2.776 1.650) 6.542 3.682 ( 4.236 -1.792 -1.976) 5.006 3.682 ( 4.236 1.792 -1.976) 5.006 4.164 ( 0.916 -2.606 5.907) 6.521 4.164 ( 0.916 2.606 5.907) 6.521 21.997 ( 1.870 -9.582 -11.652) 15.202 21.997 ( 1.870 9.582 -11.652) 15.202 22.746 ( -1.782 -5.402 -0.353) 5.700 22.746 ( -1.782 5.402 -0.353) 5.700 23.560 ( -5.423 -3.322 -0.666) 6.395 23.560 ( -5.423 3.322 -0.666) 6.395 24.889 ( 1.223 -8.218 1.437) 8.432 24.889 ( 1.223 8.218 1.437) 8.432 25.571 ( -1.706 -5.590 1.436) 6.018 25.571 ( -1.706 5.590 1.436) 6.018 26.376 ( -28.106 -16.892 3.469) 32.975 26.376 ( -28.106 16.892 3.469) 32.975 30.131 ( 16.865 -4.760 -3.612) 17.893 30.131 ( 16.865 4.760 -3.612) 17.893 30.614 ( 7.719 -1.527 3.353) 8.553 30.614 ( 7.719 1.527 3.353) 8.553 34.706 ( 2.307 -7.694 -0.087) 8.033 34.706 ( 2.307 7.694 -0.087) 8.033 35.485 ( -2.997 -7.019 -0.493) 7.648 35.485 ( -2.997 7.019 -0.493) 7.648 36.293 ( 1.586 -4.040 -0.162) 4.344 36.293 ( 1.586 4.040 -0.162) 4.344 36.487 ( -0.231 -3.965 1.097) 4.121 36.487 ( -0.231 3.965 1.097) 4.121 ======================= Grid point 337 (118/200) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -6.219 -5.935 2.181) 8.869 2.154 ( -6.219 5.935 2.181) 8.869 2.444 ( 0.164 -6.683 -3.283) 7.448 2.444 ( 0.164 6.683 -3.283) 7.448 2.834 ( -5.329 -0.268 -1.657) 5.587 2.834 ( -5.329 0.268 -1.657) 5.587 3.142 ( -4.057 -5.042 -1.102) 6.564 3.142 ( -4.057 5.042 -1.102) 6.564 3.787 ( 6.121 -1.569 -0.403) 6.332 3.787 ( 6.121 1.569 -0.403) 6.332 4.180 ( 0.356 -2.125 5.595) 5.995 4.180 ( 0.356 2.125 5.595) 5.995 22.049 ( 3.383 -8.552 -8.541) 12.551 22.049 ( 3.383 8.552 -8.541) 12.551 22.696 ( -3.151 -5.216 -0.278) 6.100 22.696 ( -3.151 5.216 -0.278) 6.100 23.439 ( -5.623 -4.440 -1.956) 7.427 23.439 ( -5.623 4.440 -1.956) 7.427 24.889 ( -3.860 -15.078 4.589) 16.227 24.889 ( -3.860 15.078 4.589) 16.227 25.494 ( -8.823 -7.176 -0.869) 11.406 25.494 ( -8.823 7.176 -0.869) 11.406 25.750 ( -26.562 -10.792 0.683) 28.678 25.750 ( -26.562 10.792 0.683) 28.678 30.513 ( 19.421 -3.643 -1.748) 19.837 30.513 ( 19.421 3.643 -1.748) 19.837 30.807 ( 10.646 -1.179 2.328) 10.961 30.807 ( 10.646 1.179 2.328) 10.961 34.773 ( 4.440 -7.694 -0.105) 8.884 34.773 ( 4.440 7.694 -0.105) 8.884 35.403 ( -5.108 -7.077 -0.683) 8.755 35.403 ( -5.108 7.077 -0.683) 8.755 36.332 ( 2.256 -4.324 0.387) 4.892 36.332 ( 2.256 4.324 0.387) 4.892 36.480 ( -0.479 -3.864 1.272) 4.096 36.480 ( -0.479 3.864 1.272) 4.096 ======================= Grid point 339 (119/200) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -2.485 -4.483 4.754) 6.991 2.059 ( -2.485 4.483 4.754) 6.991 2.389 ( -7.013 -3.763 2.003) 8.207 2.389 ( -7.013 3.763 2.003) 8.207 2.765 ( 0.599 -2.666 -6.398) 6.957 2.765 ( 0.599 2.666 -6.398) 6.957 3.062 ( -4.515 -7.226 -5.529) 10.158 3.062 ( -4.515 7.226 -5.529) 10.158 3.916 ( 6.460 -1.715 1.585) 6.869 3.916 ( 6.460 1.715 1.585) 6.869 4.171 ( -1.347 -1.889 4.953) 5.470 4.171 ( -1.347 1.889 4.953) 5.470 22.136 ( 5.625 -6.639 -4.545) 9.817 22.136 ( 5.625 6.639 -4.545) 9.817 22.614 ( -5.520 -4.927 -0.144) 7.401 22.614 ( -5.520 4.927 -0.144) 7.401 23.385 ( 1.405 -3.592 -3.413) 5.150 23.385 ( 1.405 3.592 -3.413) 5.150 24.540 ( -30.161 -15.945 4.634) 34.430 24.540 ( -30.161 15.945 4.634) 34.430 25.292 ( -1.900 -9.773 -4.222) 10.814 25.292 ( -1.900 9.773 -4.222) 10.814 25.527 ( -4.656 -5.385 2.034) 7.403 25.527 ( -4.656 5.385 2.034) 7.403 30.854 ( 14.097 -3.047 -0.576) 14.434 30.854 ( 14.097 3.047 -0.576) 14.434 31.001 ( 8.028 -0.810 1.325) 8.177 31.001 ( 8.028 0.810 1.325) 8.177 34.880 ( 6.104 -7.666 -0.235) 9.802 34.880 ( 6.104 7.666 -0.235) 9.802 35.287 ( -6.370 -7.205 -0.783) 9.649 35.287 ( -6.370 7.205 -0.783) 9.649 36.377 ( 2.159 -4.069 1.001) 4.714 36.377 ( 2.159 4.069 1.001) 4.714 36.468 ( -0.816 -3.484 1.479) 3.872 36.468 ( -0.816 3.484 1.479) 3.872 ======================= Grid point 341 (120/200) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.020 -3.579 5.662) 7.812 2.073 ( 4.020 3.579 5.662) 7.812 2.210 ( -9.057 -3.369 5.264) 11.004 2.210 ( -9.057 3.369 5.264) 11.004 2.839 ( 5.581 -6.067 -8.639) 11.941 2.839 ( 5.581 6.067 -8.639) 11.941 2.957 ( -5.831 -7.163 -7.958) 12.192 2.957 ( -5.831 7.163 -7.958) 12.192 4.035 ( 5.334 -1.817 3.043) 6.404 4.035 ( 5.334 1.817 3.043) 6.404 4.123 ( -3.433 -1.837 4.102) 5.656 4.123 ( -3.433 1.837 4.102) 5.656 22.281 ( 8.787 -5.230 -1.623) 10.353 22.281 ( 8.787 5.230 -1.623) 10.353 22.466 ( -9.014 -4.854 -0.350) 10.243 22.466 ( -9.014 4.854 -0.350) 10.243 23.532 ( 13.810 -3.909 -3.000) 14.663 23.532 ( 13.810 3.909 -3.000) 14.663 23.939 ( -26.648 -7.829 -0.103) 27.774 23.939 ( -26.648 7.829 -0.103) 27.774 25.342 ( 4.553 -4.990 -0.907) 6.816 25.342 ( 4.553 4.990 -0.907) 6.816 25.437 ( -4.683 -4.870 0.963) 6.825 25.437 ( -4.683 4.870 0.963) 6.825 31.059 ( 6.233 -2.230 0.074) 6.620 31.059 ( 6.233 2.230 0.074) 6.620 31.102 ( 1.722 -1.307 0.606) 2.245 31.102 ( 1.722 1.307 0.606) 2.245 35.012 ( 6.984 -7.574 -0.476) 10.314 35.012 ( 6.984 7.574 -0.476) 10.314 35.152 ( -7.015 -7.402 -0.704) 10.222 35.152 ( -7.015 7.402 -0.704) 10.222 36.417 ( 1.756 -3.449 1.441) 4.130 36.417 ( 1.756 3.449 1.441) 4.130 36.447 ( -1.270 -3.152 1.585) 3.749 36.447 ( -1.270 3.152 1.585) 3.749 ======================= Grid point 405 (121/200) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 0.000 18.786) 18.786 1.201 ( 0.000 0.000 20.309) 20.309 1.806 ( 0.000 0.000 6.414) 6.414 1.816 ( 0.000 0.000 -13.008) 13.008 2.151 ( 0.000 0.000 4.464) 4.464 2.654 ( 0.000 0.000 3.562) 3.562 2.799 ( 0.000 0.000 -3.589) 3.589 2.953 ( 0.000 0.000 15.943) 15.943 2.962 ( 0.000 0.000 -19.994) 19.994 3.501 ( 0.000 0.000 -11.367) 11.367 3.738 ( 0.000 0.000 10.018) 10.018 4.034 ( 0.000 0.000 -5.191) 5.191 22.543 ( 0.000 0.000 12.608) 12.608 23.063 ( 0.000 0.000 -13.046) 13.046 23.674 ( 0.000 0.000 1.942) 1.942 23.765 ( 0.000 0.000 -2.463) 2.463 23.914 ( 0.000 0.000 5.560) 5.560 24.237 ( 0.000 0.000 -11.132) 11.132 24.680 ( 0.000 0.000 11.009) 11.009 25.114 ( 0.000 0.000 -10.319) 10.319 26.088 ( 0.000 0.000 5.075) 5.075 26.125 ( 0.000 0.000 3.580) 3.580 26.999 ( 0.000 0.000 4.985) 4.985 27.216 ( 0.000 0.000 -5.441) 5.441 29.560 ( 0.000 0.000 17.780) 17.780 30.423 ( 0.000 0.000 -25.633) 25.633 30.811 ( 0.000 0.000 4.860) 4.860 31.063 ( 0.000 0.000 -7.350) 7.350 33.725 ( 0.000 0.000 11.518) 11.518 34.158 ( 0.000 0.000 -9.957) 9.957 34.440 ( 0.000 0.000 9.796) 9.796 34.826 ( 0.000 0.000 -9.294) 9.294 36.424 ( 0.000 0.000 6.609) 6.609 36.655 ( 0.000 0.000 -5.848) 5.848 38.389 ( 0.000 0.000 16.092) 16.092 38.956 ( 0.000 0.000 -12.576) 12.576 ======================= Grid point 406 (122/200) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.318 0.000 18.879) 18.881 1.267 ( 6.705 0.000 17.479) 18.720 1.822 ( 0.079 0.000 -4.364) 4.365 1.854 ( 3.700 0.000 -12.491) 13.028 2.188 ( 5.079 0.000 14.946) 15.786 2.625 ( -2.915 0.000 3.754) 4.753 2.777 ( -2.169 0.000 -3.765) 4.345 2.894 ( -4.620 0.000 12.170) 13.017 3.055 ( 6.974 0.000 -16.219) 17.655 3.371 ( -10.092 0.000 -5.364) 11.429 3.785 ( 1.795 0.000 3.491) 3.926 3.999 ( -3.008 0.000 -4.764) 5.634 22.497 ( -4.300 0.000 12.926) 13.623 22.999 ( -6.348 0.000 -10.316) 12.113 23.599 ( -24.850 0.000 13.974) 28.509 23.664 ( -0.891 0.000 2.374) 2.536 23.765 ( -0.098 0.000 -2.311) 2.313 24.135 ( -10.512 0.000 -14.988) 18.307 24.655 ( -2.398 0.000 10.345) 10.619 25.073 ( -3.961 0.000 -10.106) 10.854 25.971 ( -8.084 0.000 7.953) 11.340 26.081 ( -3.929 0.000 2.274) 4.540 27.191 ( 15.214 0.000 3.114) 15.530 27.425 ( 16.015 0.000 -8.989) 18.365 29.827 ( 23.947 0.000 8.762) 25.500 30.523 ( 9.306 0.000 -22.219) 24.089 30.866 ( 5.687 0.000 2.311) 6.139 31.087 ( 2.448 0.000 -7.005) 7.421 33.735 ( 0.920 0.000 11.143) 11.181 34.122 ( -3.159 0.000 -6.507) 7.233 34.477 ( 3.225 0.000 6.413) 7.178 34.821 ( -0.521 0.000 -9.031) 9.046 36.449 ( 2.480 0.000 6.973) 7.401 36.679 ( 2.377 0.000 -5.425) 5.923 38.332 ( -5.492 0.000 14.558) 15.559 38.782 ( -15.965 0.000 -6.644) 17.292 ======================= Grid point 407 (123/200) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 6.197 0.000 14.166) 15.462 1.448 ( 10.983 0.000 14.573) 18.248 1.797 ( -1.449 0.000 -11.847) 11.935 1.957 ( 6.419 0.000 -11.078) 12.804 2.361 ( 10.929 0.000 22.393) 24.918 2.539 ( -5.632 0.000 4.271) 7.069 2.713 ( -4.257 0.000 -4.280) 6.037 2.764 ( -8.067 0.000 12.486) 14.865 3.081 ( -10.097 0.000 -3.216) 10.596 3.288 ( 7.599 0.000 -16.177) 17.873 3.734 ( -7.062 0.000 2.729) 7.571 3.952 ( -1.456 0.000 -6.159) 6.329 22.391 ( -5.772 0.000 14.054) 15.194 22.804 ( -13.085 0.000 9.929) 16.426 23.169 ( -14.792 0.000 1.696) 14.889 23.646 ( -0.772 0.000 3.401) 3.487 23.759 ( -0.527 0.000 -1.460) 1.552 23.853 ( -16.399 0.000 -20.379) 26.158 24.596 ( -3.104 0.000 8.093) 8.668 24.963 ( -6.861 0.000 -9.400) 11.637 25.841 ( -4.441 0.000 10.728) 11.611 25.999 ( -4.085 0.000 2.388) 4.732 27.491 ( 13.654 0.000 0.921) 13.685 27.712 ( 11.603 0.000 -9.499) 14.995 30.345 ( 23.855 0.000 -2.441) 23.979 30.739 ( 10.728 0.000 -11.821) 15.964 31.049 ( 12.607 0.000 -7.857) 14.855 31.167 ( 5.885 0.000 -7.493) 9.527 33.761 ( 1.687 0.000 10.102) 10.242 34.049 ( -3.840 0.000 -1.818) 4.249 34.551 ( 3.908 0.000 1.909) 4.349 34.805 ( -1.048 0.000 -8.283) 8.349 36.523 ( 4.932 0.000 7.907) 9.319 36.745 ( 4.046 0.000 -3.951) 5.655 38.183 ( -8.998 0.000 10.959) 14.180 38.402 ( -20.126 0.000 2.830) 20.324 ======================= Grid point 408 (124/200) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 11.379 0.000 8.673) 14.308 1.687 ( 12.543 0.000 11.490) 17.010 1.798 ( 1.600 0.000 -9.247) 9.385 2.096 ( 6.832 0.000 -8.523) 10.923 2.407 ( -7.152 0.000 4.458) 8.427 2.493 ( -3.709 0.000 13.959) 14.444 2.609 ( -6.099 0.000 -5.091) 7.944 2.638 ( -2.359 0.000 11.924) 12.155 2.885 ( -3.857 0.000 4.871) 6.213 3.479 ( 8.699 0.000 -16.614) 18.753 3.544 ( -10.122 0.000 6.534) 12.048 3.912 ( -3.163 0.000 -9.510) 10.022 22.288 ( -4.025 0.000 16.478) 16.963 22.535 ( -12.350 0.000 26.048) 28.827 23.016 ( -1.805 0.000 -17.079) 17.174 23.526 ( -15.594 0.000 -23.084) 27.858 23.641 ( 0.372 0.000 4.411) 4.426 23.741 ( -1.407 0.000 0.645) 1.548 24.550 ( -1.029 0.000 3.921) 4.054 24.812 ( -7.849 0.000 -7.972) 11.187 25.791 ( -0.781 0.000 10.950) 10.978 25.919 ( -3.889 0.000 4.031) 5.601 27.719 ( 9.289 0.000 -1.169) 9.362 27.878 ( 5.158 0.000 -7.880) 9.418 30.699 ( 12.167 0.000 -0.582) 12.180 30.904 ( 5.141 0.000 -3.787) 6.385 31.315 ( 11.476 0.000 -13.929) 18.047 31.332 ( 10.594 0.000 -15.301) 18.611 33.801 ( 2.253 0.000 8.574) 8.865 33.975 ( -3.576 0.000 1.721) 3.969 34.626 ( 3.538 0.000 -1.360) 3.791 34.779 ( -1.601 0.000 -7.137) 7.315 36.641 ( 6.740 0.000 8.834) 11.112 36.826 ( 3.488 0.000 -0.780) 3.574 37.992 ( -9.858 0.000 7.907) 12.638 38.044 ( -14.402 0.000 6.289) 15.715 ======================= Grid point 409 (125/200) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 11.099 0.000 4.390) 11.936 1.816 ( -2.088 0.000 -2.408) 3.187 1.934 ( 11.893 0.000 8.636) 14.697 2.135 ( -6.342 0.000 3.340) 7.168 2.343 ( 4.015 0.000 -4.198) 5.808 2.385 ( -1.606 0.000 5.763) 5.982 2.474 ( -7.246 0.000 -5.990) 9.402 2.485 ( -9.728 0.000 2.095) 9.951 3.027 ( 12.636 0.000 15.084) 19.677 3.290 ( -13.114 0.000 11.839) 17.667 3.673 ( 8.545 0.000 -15.080) 17.333 3.820 ( -6.048 0.000 -12.622) 13.996 22.254 ( 1.078 0.000 20.030) 20.059 22.337 ( -7.217 0.000 24.087) 25.145 23.066 ( 6.327 0.000 -21.439) 22.353 23.250 ( -11.820 0.000 -23.043) 25.898 23.662 ( 1.742 0.000 4.608) 4.926 23.704 ( -2.174 0.000 3.242) 3.904 24.568 ( 2.995 0.000 -1.220) 3.234 24.666 ( -6.479 0.000 -5.387) 8.426 25.801 ( 1.570 0.000 9.134) 9.268 25.848 ( -3.095 0.000 6.520) 7.217 27.864 ( 5.180 0.000 -3.493) 6.248 27.922 ( -0.559 0.000 -5.864) 5.891 30.873 ( 5.901 0.000 1.720) 6.146 30.942 ( -1.000 0.000 0.382) 1.070 31.482 ( 5.233 0.000 -16.643) 17.446 31.498 ( 4.054 0.000 -19.193) 19.616 33.850 ( 2.693 0.000 6.692) 7.214 33.908 ( -3.124 0.000 4.457) 5.443 34.690 ( 2.882 0.000 -3.774) 4.748 34.741 ( -2.210 0.000 -5.647) 6.064 36.776 ( 6.141 0.000 8.346) 10.362 36.855 ( -1.212 0.000 4.429) 4.592 37.830 ( -4.108 0.000 6.355) 7.567 37.852 ( -5.635 0.000 4.510) 7.218 ======================= Grid point 414 (126/200) ======================= q-point: ( 0.00 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 2.963 18.856) 19.088 1.264 ( 0.000 5.940 18.330) 19.268 1.879 ( 0.000 5.695 -12.838) 14.044 1.896 ( 0.000 8.099 0.046) 8.099 2.189 ( 0.000 4.150 7.464) 8.540 2.739 ( 0.000 6.935 5.557) 8.887 2.800 ( 0.000 0.901 -8.592) 8.639 2.961 ( 0.000 1.468 14.387) 14.462 3.058 ( 0.000 8.407 -13.613) 16.000 3.480 ( 0.000 -1.995 -11.004) 11.183 3.722 ( 0.000 -1.467 9.848) 9.956 4.014 ( 0.000 -1.998 -5.095) 5.473 22.545 ( 0.000 -0.012 11.900) 11.900 23.039 ( 0.000 -2.815 -12.454) 12.769 23.286 ( 0.000 -29.248 14.142) 32.488 23.666 ( 0.000 -7.649 -6.921) 10.316 23.967 ( 0.000 3.150 6.075) 6.843 24.296 ( 0.000 1.582 -10.698) 10.814 24.601 ( 0.000 -6.948 9.242) 11.562 24.973 ( 0.000 -10.755 -8.333) 13.606 26.095 ( 0.000 0.543 5.187) 5.216 26.202 ( 0.000 5.704 -0.537) 5.729 26.951 ( 0.000 -4.588 8.901) 10.014 27.390 ( 0.000 12.857 -14.691) 19.523 29.587 ( 0.000 2.513 16.813) 17.000 30.377 ( 0.000 -3.995 -22.906) 23.251 30.772 ( 0.000 -3.535 4.529) 5.745 31.009 ( 0.000 -4.972 -6.916) 8.518 33.811 ( 0.000 7.778 11.934) 14.245 34.293 ( 0.000 11.782 -12.875) 17.452 34.487 ( 0.000 4.467 9.878) 10.841 34.882 ( 0.000 5.161 -9.776) 11.054 36.400 ( 0.000 -2.298 6.145) 6.560 36.618 ( 0.000 -3.479 -5.669) 6.652 38.297 ( 0.000 -8.681 15.191) 17.497 38.785 ( 0.000 -15.554 -8.267) 17.615 ======================= Grid point 415 (127/200) ======================= q-point: ( 0.11 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.003 5.619 17.159) 18.055 1.300 ( 6.629 3.027 17.692) 19.134 1.883 ( -0.992 5.465 -8.771) 10.382 1.922 ( 2.844 6.052 -12.367) 14.059 2.236 ( 5.782 5.286 15.963) 17.782 2.711 ( -2.766 7.048 5.958) 9.634 2.807 ( -0.142 2.715 -6.344) 6.902 2.907 ( -4.931 1.856 12.257) 13.342 3.112 ( 4.559 5.641 -13.690) 15.493 3.355 ( -9.418 -1.482 -5.580) 11.047 3.770 ( 1.954 -1.384 3.614) 4.335 3.980 ( -2.839 -1.802 -4.624) 5.717 22.503 ( -3.928 0.391 12.271) 12.890 22.966 ( -8.129 -5.545 -5.681) 11.362 23.188 ( -7.807 -22.111 13.880) 27.249 23.658 ( -1.047 -8.496 -7.915) 11.659 23.861 ( -8.206 6.444 4.410) 11.327 24.184 ( -10.462 2.036 -11.808) 15.907 24.579 ( -2.151 -6.568 8.532) 10.980 24.940 ( -3.324 -10.646 -8.382) 13.951 26.034 ( -6.332 4.303 5.489) 9.420 26.097 ( -6.174 1.993 2.424) 6.925 27.115 ( 12.879 -7.240 5.773) 15.862 27.488 ( 8.006 4.362 -13.203) 16.045 29.849 ( 23.194 2.126 8.615) 24.833 30.492 ( 10.738 -2.762 -20.471) 23.280 30.823 ( 5.263 -3.751 2.900) 7.083 31.038 ( 2.970 -4.464 -6.725) 8.601 33.821 ( 1.006 7.843 11.561) 14.007 34.251 ( -3.516 11.177 -7.867) 14.113 34.529 ( 3.523 5.022 4.989) 7.907 34.877 ( -0.511 5.167 -9.568) 10.886 36.425 ( 2.524 -2.262 6.523) 7.351 36.644 ( 2.529 -3.337 -5.291) 6.747 38.243 ( -5.251 -8.442 13.764) 16.979 38.633 ( -14.096 -13.698 -3.776) 20.015 ======================= Grid point 416 (128/200) ======================= q-point: ( 0.22 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 5.173 4.430 13.245) 14.893 1.480 ( 10.884 2.750 14.755) 18.540 1.835 ( -2.306 3.578 -12.050) 12.780 2.019 ( 6.403 5.620 -11.160) 14.041 2.399 ( 8.467 4.439 18.064) 20.438 2.637 ( -4.103 8.012 7.822) 11.925 2.762 ( -6.168 1.797 5.951) 8.757 2.782 ( -5.284 4.809 0.523) 7.163 3.071 ( -10.640 -0.817 -2.265) 10.909 3.315 ( 7.573 2.660 -15.369) 17.339 3.727 ( -6.495 -0.652 2.781) 7.096 3.937 ( -1.266 -1.432 -5.837) 6.142 22.406 ( -5.358 1.253 13.447) 14.529 22.726 ( -13.741 -8.850 18.374) 24.592 23.055 ( -5.030 -6.647 -4.801) 9.620 23.608 ( -4.671 -10.081 -11.978) 16.338 23.717 ( -5.549 4.410 2.406) 7.485 23.933 ( -12.816 3.028 -10.505) 16.845 24.523 ( -3.087 -6.350 6.490) 9.591 24.843 ( -6.239 -10.144 -8.289) 14.509 25.901 ( -5.252 4.917 8.443) 11.093 26.005 ( -3.914 0.414 2.991) 4.944 27.368 ( 11.608 -11.501 2.576) 16.542 27.645 ( 6.865 -6.551 -10.097) 13.856 30.345 ( 22.861 0.282 -0.410) 22.867 30.738 ( 11.702 -0.059 -11.303) 16.270 30.996 ( 12.260 -4.730 -5.847) 14.383 31.132 ( 6.651 -3.205 -7.584) 10.584 33.850 ( 1.862 8.042 10.497) 13.354 34.172 ( -4.121 10.710 -2.599) 11.766 34.607 ( 4.011 5.293 0.098) 6.642 34.861 ( -1.022 5.197 -8.968) 10.416 36.500 ( 5.023 -2.148 7.489) 9.270 36.714 ( 4.321 -2.945 -3.948) 6.553 38.101 ( -8.655 -7.874 10.355) 15.625 38.290 ( -18.504 -10.404 3.704) 21.549 ======================= Grid point 417 (129/200) ======================= q-point: ( 0.33 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 10.407 2.560 8.209) 13.499 1.710 ( 11.270 1.729 9.546) 14.870 1.829 ( 2.216 3.227 -6.507) 7.594 2.157 ( 6.595 5.489 -8.523) 12.094 2.436 ( -4.698 2.414 8.025) 9.607 2.531 ( -8.873 3.873 8.017) 12.570 2.652 ( -5.205 2.534 6.661) 8.825 2.696 ( -4.438 6.309 -2.211) 8.024 2.905 ( -0.161 2.526 7.202) 7.634 3.493 ( 7.852 1.394 -15.317) 17.269 3.551 ( -9.055 0.823 6.160) 10.983 3.901 ( -2.896 -0.979 -9.018) 9.523 22.307 ( -4.089 1.746 15.784) 16.398 22.483 ( -10.168 -4.919 25.870) 28.229 22.996 ( -0.448 -1.601 -16.141) 16.226 23.443 ( -11.397 -7.260 -20.740) 24.753 23.643 ( -1.963 -0.058 3.058) 3.634 23.747 ( -5.583 -0.095 -1.771) 5.858 24.474 ( -1.335 -6.776 2.944) 7.508 24.704 ( -7.275 -9.493 -7.430) 14.080 25.836 ( -1.501 3.532 9.353) 10.109 25.932 ( -3.430 1.024 4.073) 5.422 27.566 ( 8.214 -14.370 0.042) 16.552 27.745 ( 2.980 -12.528 -7.533) 14.919 30.695 ( 12.540 -0.032 0.826) 12.567 30.905 ( 4.927 0.239 -2.407) 5.489 31.264 ( 12.364 -4.521 -13.171) 18.622 31.305 ( 10.014 -2.416 -13.560) 17.030 33.894 ( 2.528 8.395 8.855) 12.462 34.091 ( -3.957 10.228 1.156) 11.028 34.683 ( 3.589 5.355 -3.006) 7.112 34.836 ( -1.560 5.260 -8.028) 9.724 36.621 ( 6.881 -1.949 8.450) 11.070 36.802 ( 3.856 -2.354 -0.978) 4.622 37.916 ( -9.546 -7.195 7.296) 14.004 37.954 ( -13.870 -8.509 6.538) 17.536 ======================= Grid point 418 (130/200) ======================= q-point: ( 0.44 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 10.492 1.086 3.966) 11.269 1.814 ( -1.516 0.135 -2.071) 2.570 1.982 ( 11.249 4.170 8.759) 14.854 2.180 ( -6.765 3.949 3.926) 8.763 2.374 ( -0.809 0.860 3.965) 4.137 2.409 ( 0.667 4.075 -1.853) 4.526 2.490 ( -6.796 2.001 0.352) 7.093 2.561 ( -7.317 6.686 -5.997) 11.585 3.071 ( 11.965 4.261 14.294) 19.121 3.315 ( -12.133 2.558 11.175) 16.692 3.676 ( 8.081 0.415 -14.187) 16.332 3.815 ( -5.695 -0.375 -11.950) 13.242 22.265 ( 0.291 1.000 19.278) 19.306 22.325 ( -5.628 -1.205 23.261) 23.963 23.049 ( 5.713 -1.676 -20.387) 21.239 23.214 ( -10.457 -3.538 -22.104) 24.707 23.634 ( 0.880 -2.618 3.388) 4.371 23.671 ( -2.714 -2.964 2.131) 4.548 24.484 ( 2.437 -7.691 -1.451) 8.197 24.569 ( -5.884 -8.692 -5.176) 11.704 25.833 ( 1.030 2.564 8.124) 8.581 25.871 ( -2.590 1.795 6.018) 6.793 27.697 ( 4.972 -15.554 -2.512) 16.522 27.761 ( -1.301 -15.110 -5.114) 16.005 30.875 ( 6.022 0.443 2.406) 6.500 30.944 ( -0.867 0.351 1.190) 1.514 31.444 ( 5.331 -3.567 -14.975) 16.291 31.460 ( 3.922 -3.206 -17.084) 17.819 33.950 ( 3.073 8.922 6.738) 11.595 34.016 ( -3.560 9.582 4.185) 11.046 34.748 ( 2.891 5.372 -5.166) 7.994 34.799 ( -2.179 5.334 -6.778) 8.896 36.758 ( 6.252 -1.697 8.004) 10.297 36.837 ( -0.997 -1.752 4.099) 4.568 37.752 ( -4.232 -7.401 6.089) 10.477 37.772 ( -5.421 -7.557 4.341) 10.264 ======================= Grid point 423 (131/200) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 5.672 17.079) 17.996 1.432 ( 0.000 9.976 13.801) 17.029 2.024 ( 0.000 7.585 -12.807) 14.885 2.082 ( 0.000 8.469 -12.193) 14.846 2.358 ( 0.000 12.877 14.135) 19.121 2.835 ( 0.000 1.080 12.716) 12.761 2.856 ( 0.000 4.688 -10.333) 11.347 3.087 ( 0.000 11.376 7.529) 13.642 3.275 ( 0.000 11.666 -8.561) 14.471 3.425 ( 0.000 -2.794 -9.193) 9.609 3.679 ( 0.000 -2.590 9.294) 9.648 3.954 ( 0.000 -3.769 -4.798) 6.102 22.527 ( 0.000 -2.174 9.369) 9.618 22.634 ( 0.000 -28.142 20.574) 34.860 23.007 ( 0.000 -3.510 -6.230) 7.151 23.488 ( 0.000 -9.233 -15.896) 18.383 24.003 ( 0.000 -0.336 4.684) 4.696 24.236 ( 0.000 -7.564 -7.070) 10.354 24.449 ( 0.000 -6.085 7.826) 9.913 24.795 ( 0.000 -4.743 -7.405) 8.794 26.104 ( 0.000 0.119 4.958) 4.959 26.281 ( 0.000 0.515 -4.228) 4.259 26.818 ( 0.000 -7.879 17.039) 18.772 27.602 ( 0.000 6.256 -24.812) 25.588 29.657 ( 0.000 4.029 14.543) 15.091 30.287 ( 0.000 -4.086 -16.970) 17.455 30.680 ( 0.000 -5.072 3.670) 6.261 30.877 ( 0.000 -7.373 -6.022) 9.519 34.013 ( 0.000 10.962 12.549) 16.662 34.568 ( 0.000 13.202 -16.756) 21.332 34.617 ( 0.000 7.896 9.882) 12.649 35.022 ( 0.000 8.012 -10.538) 13.238 36.335 ( 0.000 -3.812 4.932) 6.233 36.521 ( 0.000 -5.683 -5.189) 7.696 38.046 ( 0.000 -15.272 13.014) 20.065 38.377 ( 0.000 -22.651 -1.265) 22.686 ======================= Grid point 424 (132/200) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 5.905 5.475 15.745) 17.685 1.420 ( -0.402 9.574 13.900) 16.883 2.014 ( -3.160 6.600 -12.556) 14.533 2.073 ( 1.960 7.939 -13.096) 15.439 2.427 ( 6.343 13.071 14.663) 20.642 2.808 ( -2.460 1.232 13.009) 13.297 2.891 ( 2.358 5.442 -8.952) 10.739 3.033 ( -5.342 10.493 6.417) 13.410 3.268 ( -5.737 6.652 -4.155) 9.717 3.328 ( -1.874 1.494 -9.098) 9.408 3.733 ( 2.590 -2.021 3.887) 5.089 3.927 ( -2.168 -3.189 -4.177) 5.685 22.494 ( -3.141 -3.013 10.924) 11.759 22.582 ( -4.703 -22.144 20.642) 30.637 22.995 ( -1.121 -3.375 -6.509) 7.418 23.463 ( -2.468 -9.810 -16.462) 19.322 23.932 ( -6.574 0.529 3.603) 7.515 24.138 ( -9.066 -7.040 -5.697) 12.814 24.436 ( -1.654 -6.081 5.752) 8.532 24.754 ( -4.016 -5.136 -7.919) 10.258 26.076 ( -2.610 0.279 4.213) 4.963 26.161 ( -9.440 2.166 0.936) 9.731 26.907 ( 6.955 -12.383 11.965) 18.571 27.532 ( -5.306 -0.997 -18.765) 19.527 29.909 ( 21.756 3.537 8.138) 23.496 30.427 ( 13.101 -3.206 -15.812) 20.783 30.731 ( 5.066 -4.728 3.284) 7.668 30.921 ( 4.332 -6.523 -6.072) 9.909 34.024 ( 1.125 11.008 12.207) 16.476 34.508 ( -3.947 12.321 -5.492) 14.055 34.676 ( 3.823 8.718 -1.225) 9.597 35.016 ( -0.528 7.961 -10.445) 13.144 36.360 ( 2.596 -3.791 5.352) 7.054 36.550 ( 2.889 -5.482 -4.927) 7.916 37.998 ( -4.633 -14.897 11.848) 19.590 38.267 ( -10.389 -20.646 0.970) 23.133 ======================= Grid point 425 (133/200) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 3.066 8.413 10.793) 14.024 1.552 ( 9.983 4.154 14.029) 17.712 1.932 ( -3.432 5.450 -10.407) 12.239 2.164 ( 6.312 7.760 -11.815) 15.480 2.547 ( 2.818 8.781 10.998) 14.353 2.761 ( -0.939 3.516 14.356) 14.810 2.860 ( -8.972 8.543 4.518) 13.187 2.923 ( -2.505 6.045 -6.311) 9.091 3.071 ( -9.550 2.752 1.114) 10.001 3.401 ( 6.226 5.670 -12.479) 15.054 3.714 ( -4.606 -0.243 2.974) 5.488 3.899 ( -0.567 -2.073 -4.805) 5.263 22.417 ( -4.181 -4.835 15.352) 16.629 22.470 ( -6.048 -9.638 19.563) 22.631 22.969 ( -1.248 -2.945 -9.089) 9.636 23.389 ( -5.005 -10.594 -18.233) 21.673 23.773 ( -8.446 0.570 1.867) 8.668 23.915 ( -12.042 -5.414 -3.664) 13.701 24.379 ( -3.775 -6.780 3.208) 8.397 24.641 ( -7.004 -6.736 -8.554) 12.946 25.984 ( -6.944 0.969 5.968) 9.208 26.016 ( -3.432 1.445 2.903) 4.722 27.046 ( 6.615 -18.844 6.724) 21.073 27.443 ( -3.263 -12.823 -11.242) 17.363 30.368 ( 21.426 2.032 2.582) 21.676 30.734 ( 14.511 -0.445 -10.428) 17.875 30.883 ( 10.886 -5.470 -1.133) 12.236 31.048 ( 8.411 -4.628 -7.406) 12.125 34.057 ( 2.127 11.169 11.190) 15.952 34.426 ( -4.272 12.643 -1.465) 13.425 34.753 ( 3.852 8.219 -4.690) 10.217 35.001 ( -1.011 7.861 -10.164) 12.890 36.438 ( 5.175 -3.722 6.401) 9.033 36.630 ( 4.942 -4.970 -3.913) 8.027 37.871 ( -7.795 -14.023 8.939) 18.366 38.003 ( -14.895 -16.658 5.059) 22.912 ======================= Grid point 426 (134/200) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 8.044 5.900 6.975) 12.172 1.749 ( 8.352 2.213 6.348) 10.721 1.923 ( 3.779 5.493 -1.110) 6.759 2.293 ( 4.976 6.774 -7.787) 11.457 2.492 ( -5.363 3.183 7.063) 9.422 2.643 ( -10.972 5.629 5.595) 13.541 2.699 ( -8.556 2.151 2.902) 9.287 2.852 ( -4.934 8.205 -6.799) 11.743 3.023 ( 6.166 9.186 11.245) 15.775 3.539 ( 5.099 3.161 -11.088) 12.607 3.588 ( -5.469 3.031 4.468) 7.685 3.877 ( -2.051 -1.018 -7.407) 7.753 22.341 ( -3.273 -4.496 19.317) 20.102 22.358 ( -4.759 -0.866 17.837) 18.481 22.955 ( 0.258 -2.547 -13.794) 14.030 23.262 ( -7.525 -9.486 -20.220) 23.568 23.628 ( -5.534 -1.592 1.356) 5.916 23.704 ( -8.329 -4.636 -0.867) 9.572 24.307 ( -2.892 -8.789 0.734) 9.282 24.490 ( -7.758 -9.246 -7.843) 14.394 25.890 ( -2.520 0.653 7.158) 7.617 25.953 ( -2.929 0.816 2.999) 4.271 27.167 ( 5.490 -23.179 3.104) 24.022 27.392 ( -2.282 -20.843 -6.657) 21.999 30.713 ( 13.058 1.855 3.195) 13.571 30.918 ( 5.113 0.942 0.107) 5.201 31.154 ( 13.344 -5.568 -9.829) 17.483 31.241 ( 9.874 -3.554 -11.501) 15.569 34.108 ( 2.971 11.477 9.514) 15.201 34.339 ( -4.381 12.687 1.615) 13.519 34.827 ( 3.497 7.882 -6.673) 10.904 34.976 ( -1.507 7.794 -9.687) 12.524 36.563 ( 7.137 -3.589 7.446) 10.921 36.732 ( 4.701 -4.231 -1.451) 6.489 37.703 ( -8.826 -13.634 5.677) 17.205 37.718 ( -12.417 -13.249 7.045) 19.477 ======================= Grid point 427 (135/200) ======================= q-point: ( 0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 8.721 3.431 3.282) 9.929 1.832 ( -0.508 1.649 -0.917) 1.954 2.085 ( 10.365 5.381 9.083) 14.795 2.264 ( -6.360 3.370 5.442) 9.023 2.412 ( -4.096 3.387 3.582) 6.409 2.463 ( -7.689 0.902 2.199) 8.048 2.597 ( 3.857 7.424 -6.038) 10.318 2.728 ( -7.129 8.798 -7.507) 13.586 3.203 ( 10.121 8.523 11.972) 17.844 3.401 ( -9.486 5.899 9.284) 14.525 3.696 ( 6.723 1.684 -11.450) 13.384 3.811 ( -4.630 0.203 -9.795) 10.836 22.291 ( -1.486 -1.910 20.655) 20.796 22.292 ( -1.655 1.533 16.848) 16.999 22.994 ( 3.871 -3.709 -17.635) 18.432 23.108 ( -7.258 -6.436 -19.809) 22.057 23.564 ( -0.878 -3.931 1.367) 4.254 23.589 ( -3.393 -4.850 0.807) 5.973 24.285 ( 1.077 -10.778 -2.352) 11.084 24.352 ( -5.498 -11.016 -5.546) 13.504 25.873 ( 0.539 0.585 6.053) 6.105 25.901 ( -2.127 0.694 4.268) 4.819 27.265 ( 4.379 -25.101 -0.059) 25.480 27.340 ( -3.118 -24.557 -3.237) 24.965 30.901 ( 6.133 2.133 3.761) 7.504 30.965 ( -0.364 1.715 2.700) 3.219 31.353 ( 6.066 -4.743 -11.519) 13.856 31.383 ( 3.203 -4.057 -12.969) 13.961 34.174 ( 3.671 11.920 7.246) 14.424 34.253 ( -4.177 12.387 4.540) 13.838 34.890 ( 2.846 7.776 -8.030) 11.535 34.940 ( -2.120 7.769 -8.993) 12.072 36.706 ( 6.508 -3.345 7.122) 10.211 36.784 ( -0.477 -3.406 3.269) 4.745 37.538 ( -4.099 -12.972 5.348) 14.618 37.558 ( -5.284 -12.580 3.876) 14.184 ======================= Grid point 432 (136/200) ======================= q-point: ( 0.00 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 8.264 12.819) 15.252 1.659 ( 0.000 11.682 8.652) 14.537 2.166 ( 0.000 5.902 -12.448) 13.776 2.237 ( 0.000 7.047 -12.167) 14.060 2.686 ( 0.000 17.547 9.979) 20.186 2.829 ( 0.000 -0.861 13.283) 13.311 2.988 ( 0.000 7.585 -8.213) 11.180 3.330 ( 0.000 -3.538 -9.280) 9.932 3.355 ( 0.000 12.642 6.772) 14.341 3.559 ( 0.000 12.678 -3.425) 13.132 3.626 ( 0.000 -1.731 8.163) 8.345 3.864 ( 0.000 -4.576 -4.194) 6.207 22.143 ( 0.000 -19.124 20.631) 28.131 22.441 ( 0.000 -6.321 3.574) 7.262 22.929 ( 0.000 -4.188 -4.119) 5.874 23.301 ( 0.000 -8.665 -21.638) 23.308 23.935 ( 0.000 -5.775 1.306) 5.921 24.032 ( 0.000 -10.668 -2.997) 11.081 24.404 ( 0.000 1.754 9.053) 9.221 24.773 ( 0.000 1.542 -8.143) 8.288 26.089 ( 0.000 -1.908 3.071) 3.615 26.200 ( 0.000 -8.065 -2.833) 8.548 26.650 ( 0.000 -7.773 24.061) 25.285 27.638 ( 0.000 -2.415 -27.258) 27.365 29.741 ( 0.000 3.802 11.866) 12.460 30.221 ( 0.000 -2.358 -11.914) 12.145 30.580 ( 0.000 -4.272 2.665) 5.035 30.724 ( 0.000 -7.024 -4.720) 8.463 34.231 ( 0.000 9.695 12.259) 15.629 34.785 ( 0.000 7.304 -16.555) 18.095 34.802 ( 0.000 9.894 9.433) 13.670 35.199 ( 0.000 8.932 -11.002) 14.172 36.252 ( 0.000 -4.002 3.395) 5.248 36.398 ( 0.000 -5.836 -4.572) 7.414 37.690 ( 0.000 -18.775 10.501) 21.512 37.895 ( 0.000 -23.418 2.437) 23.544 ======================= Grid point 433 (137/200) ======================= q-point: ( 0.11 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.128 7.588 12.522) 15.514 1.642 ( -1.281 11.586 9.093) 14.783 2.142 ( -3.827 5.692 -11.064) 13.018 2.228 ( 1.602 6.896 -12.772) 14.603 2.731 ( 1.904 13.319 6.371) 14.886 2.823 ( 1.255 3.025 15.600) 15.940 3.015 ( 1.480 5.740 -8.373) 10.259 3.201 ( -9.651 2.083 1.360) 9.967 3.342 ( -4.134 8.540 1.539) 9.612 3.494 ( -1.435 7.436 -4.881) 9.010 3.715 ( 4.083 1.885 3.367) 5.618 3.860 ( -0.116 -2.597 -3.106) 4.051 22.142 ( 0.063 -17.147 20.405) 26.653 22.441 ( -0.113 -5.210 4.309) 6.761 22.917 ( -1.094 -4.343 -4.868) 6.615 23.273 ( -2.816 -8.526 -21.572) 23.366 23.870 ( -6.242 -6.605 1.210) 9.168 23.947 ( -7.792 -9.438 -1.481) 12.328 24.374 ( -3.164 0.703 7.517) 8.186 24.738 ( -3.669 2.410 -9.097) 10.101 26.054 ( -3.760 -2.774 3.565) 5.878 26.137 ( -5.524 -4.489 -0.501) 7.136 26.637 ( -0.785 -12.814 19.018) 22.946 27.442 ( -16.127 -7.532 -20.640) 27.255 29.985 ( 20.710 3.478 7.142) 22.181 30.370 ( 13.944 -2.265 -10.861) 17.819 30.644 ( 6.089 -3.500 2.648) 7.505 30.786 ( 6.028 -6.164 -4.846) 9.890 34.243 ( 1.251 9.781 11.989) 15.523 34.736 ( -3.040 9.742 -3.299) 10.725 34.850 ( 2.858 7.455 -3.774) 8.831 35.191 ( -0.808 8.676 -10.963) 14.004 36.277 ( 2.580 -4.045 3.879) 6.170 36.432 ( 3.239 -5.686 -4.447) 7.912 37.650 ( -3.874 -18.378 9.681) 21.130 37.822 ( -7.048 -21.877 3.331) 23.224 ======================= Grid point 434 (138/200) ======================= q-point: ( 0.22 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.943 10.433 8.477) 13.476 1.653 ( 8.163 5.878 11.157) 15.022 2.049 ( -3.863 5.751 -7.331) 10.086 2.311 ( 5.826 6.015 -12.584) 15.116 2.679 ( -5.418 3.410 6.419) 9.065 2.880 ( -4.110 4.089 5.825) 8.219 2.962 ( -4.715 5.189 4.263) 8.206 3.047 ( -2.975 7.491 -1.720) 8.242 3.231 ( -4.592 9.946 2.472) 11.230 3.525 ( 3.938 5.171 -8.529) 10.723 3.740 ( -1.424 3.529 3.186) 4.963 3.872 ( 1.030 0.376 -2.764) 2.974 22.152 ( 1.055 -12.524 19.705) 23.372 22.429 ( -1.208 -2.277 6.414) 6.913 22.892 ( -1.198 -4.785 -7.291) 8.803 23.193 ( -5.044 -8.303 -21.079) 23.210 23.708 ( -9.171 -8.577 1.759) 12.679 23.762 ( -9.736 -6.104 -0.167) 11.492 24.274 ( -6.611 -2.181 4.832) 8.474 24.613 ( -9.127 2.997 -10.502) 14.233 25.939 ( -6.448 -4.537 6.049) 9.937 26.030 ( -4.757 -1.205 -0.065) 4.907 26.634 ( 0.622 -20.175 11.323) 23.144 27.129 ( -13.445 -17.366 -11.692) 24.880 30.421 ( 20.689 2.720 3.740) 21.200 30.712 ( 18.159 -1.887 -9.112) 20.405 30.798 ( 8.775 -2.307 2.651) 9.453 30.952 ( 10.226 -4.484 -6.115) 12.730 34.280 ( 2.402 10.042 11.150) 15.197 34.669 ( -3.747 10.789 -0.095) 11.422 34.911 ( 3.245 6.442 -6.656) 9.815 35.169 ( -1.382 8.073 -10.852) 13.596 36.355 ( 5.142 -4.171 5.035) 8.318 36.521 ( 5.441 -5.408 -3.804) 8.563 37.541 ( -6.915 -17.516 7.681) 20.337 37.637 ( -10.790 -18.291 4.975) 21.812 ======================= Grid point 435 (139/200) ======================= q-point: ( 0.33 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.198 8.080 5.844) 11.245 1.808 ( 6.268 3.601 5.931) 9.351 2.039 ( 3.870 5.478 0.919) 6.770 2.404 ( 0.300 4.064 -4.009) 5.717 2.579 ( -1.745 4.760 -1.259) 5.224 2.668 ( -11.631 -1.233 3.318) 12.157 2.795 ( -11.203 4.731 2.069) 12.336 3.022 ( -4.169 7.843 -6.325) 10.904 3.252 ( 6.713 12.183 9.219) 16.688 3.622 ( 4.043 4.698 -6.739) 9.156 3.686 ( -2.580 6.442 3.400) 7.727 3.878 ( -0.765 1.735 -4.405) 4.796 22.187 ( 2.450 -7.221 18.257) 19.786 22.388 ( -2.895 0.609 9.461) 9.913 22.877 ( -0.095 -5.232 -10.878) 12.072 23.080 ( -5.993 -7.854 -19.185) 21.579 23.545 ( -6.357 -7.893 2.350) 10.404 23.590 ( -7.018 -4.063 -0.202) 8.111 24.135 ( -6.381 -6.844 1.673) 9.506 24.388 ( -12.528 -0.730 -9.803) 15.924 25.849 ( -2.221 -4.487 5.811) 7.670 25.945 ( -3.752 -2.065 -0.102) 4.284 26.662 ( 2.152 -24.682 6.207) 25.541 26.921 ( -7.755 -24.146 -5.580) 25.967 30.764 ( 13.407 2.773 4.197) 14.320 30.940 ( 6.025 1.030 2.252) 6.514 31.053 ( 13.961 -3.916 -6.748) 15.993 31.165 ( 9.986 -3.704 -8.758) 13.789 34.338 ( 3.378 10.451 9.693) 14.649 34.588 ( -4.323 11.235 2.537) 12.303 34.977 ( 3.345 6.114 -8.407) 10.920 35.137 ( -1.834 7.395 -10.646) 13.091 36.479 ( 7.123 -4.408 6.172) 10.405 36.634 ( 5.413 -5.090 -1.937) 7.679 37.380 ( -8.912 -16.687 6.300) 19.939 37.428 ( -9.259 -14.837 4.605) 18.085 ======================= Grid point 436 (140/200) ======================= q-point: ( 0.44 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 6.065 5.214 3.304) 8.654 1.881 ( 0.626 3.111 1.513) 3.515 2.189 ( 9.373 4.492 7.948) 13.084 2.324 ( -4.357 3.161 3.825) 6.604 2.467 ( -7.254 -0.266 4.110) 8.342 2.497 ( -9.022 3.786 2.745) 10.162 2.739 ( 6.745 5.589 -9.148) 12.666 2.895 ( -7.751 6.763 -9.365) 13.911 3.411 ( 8.103 11.253 8.928) 16.493 3.558 ( -6.436 9.150 6.845) 13.115 3.753 ( 5.089 3.891 -7.166) 9.611 3.838 ( -3.237 2.802 -6.088) 7.443 22.247 ( 3.441 -2.322 15.808) 16.344 22.320 ( -3.743 0.813 12.705) 13.270 22.896 ( 2.208 -5.701 -13.982) 15.260 22.968 ( -4.872 -6.752 -16.402) 18.394 23.469 ( -1.202 -5.527 1.841) 5.948 23.490 ( -3.043 -3.760 0.503) 4.863 24.065 ( 0.363 -9.997 -2.631) 10.344 24.162 ( -8.944 -7.063 -6.955) 13.351 25.842 ( 1.138 -3.653 3.528) 5.204 25.882 ( -2.639 -2.903 1.226) 4.110 26.718 ( 3.428 -26.829 2.393) 27.153 26.800 ( -4.848 -26.831 -1.281) 27.296 30.956 ( 5.963 2.891 4.437) 7.975 31.008 ( 0.599 2.246 3.667) 4.342 31.262 ( 6.490 -3.930 -7.744) 10.842 31.300 ( 2.725 -3.830 -9.059) 10.206 34.413 ( 4.102 10.902 7.635) 13.928 34.499 ( -4.457 11.222 5.154) 13.129 35.041 ( 2.984 6.302 -9.548) 11.823 35.095 ( -2.381 6.781 -10.252) 12.520 36.623 ( 6.675 -4.579 6.051) 10.106 36.700 ( 0.012 -4.604 2.327) 5.158 37.242 ( -3.138 -15.113 4.507) 16.080 37.276 ( -5.625 -14.295 2.907) 15.635 ======================= Grid point 441 (141/200) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 9.737 7.964) 12.579 1.899 ( 0.000 11.347 3.284) 11.812 2.265 ( 0.000 3.816 -9.534) 10.269 2.378 ( 0.000 6.556 -9.277) 11.360 2.812 ( 0.000 -0.512 10.152) 10.165 3.041 ( 0.000 16.125 6.047) 17.222 3.104 ( 0.000 1.049 -7.442) 7.515 3.302 ( 0.000 3.183 -4.377) 5.412 3.467 ( 0.000 -2.093 7.517) 7.803 3.700 ( 0.000 -3.345 -4.260) 5.417 3.727 ( 0.000 11.584 6.401) 13.235 3.875 ( 0.000 9.567 -1.245) 9.647 21.843 ( 0.000 -10.292 14.579) 17.846 22.278 ( 0.000 -9.038 -4.462) 10.079 22.839 ( 0.000 -4.369 -1.544) 4.634 23.130 ( 0.000 -8.065 -19.567) 21.164 23.806 ( 0.000 -6.043 -0.080) 6.044 23.835 ( 0.000 -7.998 -1.087) 8.071 24.492 ( 0.000 6.157 8.566) 10.549 24.826 ( 0.000 3.172 -7.710) 8.337 25.983 ( 0.000 -11.935 1.130) 11.989 26.015 ( 0.000 -5.328 -0.430) 5.345 26.526 ( 0.000 -3.759 26.825) 27.087 27.519 ( 0.000 -8.815 -24.033) 25.599 29.801 ( 0.000 1.880 8.739) 8.939 30.170 ( 0.000 -3.230 -9.462) 9.998 30.518 ( 0.000 -1.491 2.174) 2.636 30.609 ( 0.000 -3.621 -2.682) 4.506 34.401 ( 0.000 6.782 10.551) 12.543 34.868 ( 0.000 1.028 -13.149) 13.189 35.014 ( 0.000 10.363 8.316) 13.288 35.373 ( 0.000 7.529 -10.353) 12.801 36.180 ( 0.000 -2.671 1.951) 3.308 36.294 ( 0.000 -3.981 -4.000) 5.644 37.294 ( 0.000 -19.189 8.147) 20.847 37.430 ( 0.000 -21.478 2.919) 21.675 ======================= Grid point 442 (142/200) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 3.707 9.048 8.283) 12.815 1.883 ( -1.513 11.502 4.651) 12.499 2.241 ( -2.926 3.773 -8.469) 9.722 2.357 ( -0.277 5.732 -10.655) 12.103 2.796 ( -1.974 0.362 7.858) 8.110 3.040 ( -5.459 0.506 -2.240) 5.922 3.103 ( 4.080 12.387 3.888) 13.609 3.269 ( -3.444 5.240 0.114) 6.271 3.474 ( 0.310 1.728 0.631) 1.866 3.561 ( -6.417 0.358 -0.948) 6.496 3.821 ( 3.673 6.683 2.770) 8.113 3.906 ( 2.569 8.513 -0.584) 8.911 21.869 ( 2.618 -9.496 14.294) 17.360 22.297 ( 1.787 -8.358 -4.065) 9.464 22.824 ( -1.423 -4.448 -1.865) 5.029 23.106 ( -2.431 -7.869 -19.014) 20.721 23.703 ( -8.520 -7.829 1.927) 11.730 23.789 ( -5.298 -6.286 -2.548) 8.607 24.452 ( -4.244 6.240 8.730) 11.539 24.814 ( -1.684 4.390 -8.709) 9.897 25.931 ( -4.686 -9.266 2.881) 10.776 26.015 ( -0.936 -6.416 -1.647) 6.690 26.415 ( -9.340 -8.214 22.826) 25.995 27.235 ( -24.133 -12.204 -18.723) 32.892 30.039 ( 20.103 1.593 5.527) 20.909 30.323 ( 14.203 -2.756 -7.972) 16.519 30.596 ( 7.369 -1.030 2.065) 7.722 30.684 ( 7.189 -3.269 -2.746) 8.361 34.416 ( 1.506 6.940 10.379) 12.577 34.871 ( 0.074 2.403 -11.680) 11.925 35.009 ( -0.259 8.951 6.753) 11.215 35.358 ( -1.464 7.142 -10.340) 12.652 36.205 ( 2.440 -2.758 2.503) 4.452 36.329 ( 3.358 -3.982 -3.981) 6.556 37.263 ( -3.081 -18.755 7.731) 20.519 37.385 ( -4.397 -20.282 3.150) 20.991 ======================= Grid point 443 (143/200) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 5.293 7.108 9.684) 13.127 1.857 ( -0.237 10.862 4.450) 11.740 2.158 ( -3.907 4.560 -4.707) 7.630 2.408 ( 4.730 3.579 -12.398) 13.744 2.728 ( -4.713 1.931 4.170) 6.582 2.860 ( -10.969 -2.313 1.200) 11.275 3.111 ( -10.479 3.416 2.489) 11.299 3.208 ( 1.219 8.241 -0.219) 8.334 3.414 ( -0.956 7.759 1.675) 7.995 3.592 ( 6.023 2.461 -4.034) 7.656 3.862 ( 0.543 7.738 3.642) 8.570 3.953 ( 1.731 7.287 -0.522) 7.508 21.945 ( 4.955 -7.411 13.460) 16.145 22.339 ( 2.123 -6.286 -2.366) 7.045 22.787 ( -2.006 -4.922 -3.204) 6.206 23.035 ( -4.520 -7.329 -16.854) 18.926 23.517 ( -8.932 -8.040 3.076) 12.405 23.645 ( -8.162 -5.524 -3.447) 10.440 24.311 ( -10.109 5.409 8.751) 14.423 24.720 ( -9.149 6.733 -10.518) 15.481 25.804 ( -7.019 -8.221 5.812) 12.273 25.961 ( -4.467 -5.380 -3.069) 7.636 26.247 ( -5.874 -16.869 13.718) 22.523 26.743 ( -21.732 -19.745 -10.622) 31.225 30.463 ( 20.370 1.118 3.474) 20.695 30.668 ( 18.388 -2.096 -5.627) 19.344 30.780 ( 10.093 0.056 1.876) 10.266 30.873 ( 11.058 -2.866 -3.502) 11.948 34.460 ( 2.885 7.396 9.817) 12.625 34.856 ( -1.866 6.530 -5.128) 8.510 35.018 ( 1.475 4.815 0.134) 5.038 35.319 ( -2.364 6.165 -10.295) 12.231 36.277 ( 4.800 -3.057 3.724) 6.801 36.419 ( 5.410 -4.184 -3.594) 7.726 37.174 ( -5.751 -17.560 6.831) 19.700 37.267 ( -7.009 -17.356 3.348) 19.015 ======================= Grid point 444 (144/200) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 3.094 7.342 7.786) 11.141 1.903 ( 3.457 6.000 3.630) 7.819 2.143 ( 3.256 4.527 0.633) 5.612 2.482 ( -0.527 3.798 -4.410) 5.844 2.608 ( -8.054 -2.185 1.033) 8.409 2.688 ( -2.104 3.337 -3.900) 5.547 2.847 ( -13.807 0.448 3.591) 14.273 3.142 ( -6.588 3.001 -8.639) 11.272 3.503 ( 7.312 11.817 6.560) 15.367 3.723 ( 6.344 5.115 -3.879) 9.025 3.846 ( -2.018 8.830 4.456) 10.094 3.967 ( -0.504 6.522 -1.334) 6.676 22.062 ( 6.571 -4.719 12.034) 14.500 22.363 ( -0.226 -3.144 1.580) 3.526 22.756 ( -0.796 -6.001 -6.109) 8.600 22.936 ( -5.163 -6.383 -13.105) 15.464 23.385 ( -3.752 -6.479 2.273) 7.825 23.506 ( -4.971 -4.156 -3.306) 7.274 24.067 ( -12.927 0.737 6.477) 14.477 24.428 ( -18.916 4.103 -9.948) 21.763 25.713 ( -1.526 -8.508 4.438) 9.717 25.858 ( -5.010 -6.384 -3.234) 8.735 26.185 ( -0.934 -21.173 7.170) 22.373 26.424 ( -10.730 -23.486 -4.273) 26.172 30.810 ( 13.880 1.368 3.851) 14.470 30.957 ( 7.620 0.764 2.658) 8.107 30.998 ( 13.231 -1.681 -4.287) 14.010 31.093 ( 9.931 -3.181 -5.300) 11.697 34.529 ( 3.983 8.062 8.752) 12.549 34.797 ( -3.868 8.922 1.217) 9.801 35.067 ( 3.171 2.604 -5.875) 7.166 35.266 ( -2.862 4.926 -10.146) 11.636 36.392 ( 6.528 -3.738 4.888) 8.971 36.532 ( 5.442 -4.609 -2.204) 7.464 37.042 ( -6.925 -15.595 6.011) 18.091 37.122 ( -7.227 -14.532 2.559) 16.430 ======================= Grid point 445 (145/200) ======================= q-point: ( 0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 3.261 5.572 4.693) 7.981 1.956 ( 1.324 4.094 4.286) 6.073 2.268 ( 7.936 3.331 3.919) 9.458 2.410 ( -3.766 5.145 0.468) 6.393 2.449 ( -5.083 -1.350 4.221) 6.743 2.554 ( -11.238 1.731 4.512) 12.233 2.814 ( 8.017 1.704 -11.326) 13.981 2.986 ( -8.610 1.901 -11.358) 14.379 3.649 ( 6.813 11.403 6.289) 14.697 3.762 ( -4.166 10.230 4.730) 12.016 3.854 ( 4.519 5.787 -2.534) 7.767 3.932 ( -2.932 6.065 -2.308) 7.121 22.198 ( 6.803 -2.226 9.850) 12.176 22.316 ( -4.497 -1.194 6.492) 7.987 22.769 ( 2.244 -6.487 -9.178) 11.461 22.838 ( -4.431 -5.950 -10.655) 12.983 23.374 ( 2.402 -2.961 2.391) 4.500 23.442 ( -2.920 -0.659 -0.194) 2.999 23.893 ( -1.340 -6.409 -0.708) 6.586 24.056 ( -15.837 -3.462 -7.283) 17.772 25.726 ( 2.058 -7.479 1.147) 7.841 25.778 ( -3.162 -7.110 -1.492) 7.924 26.199 ( 2.224 -23.004 3.236) 23.337 26.273 ( -5.297 -23.578 -0.238) 24.167 31.007 ( 5.901 1.880 4.022) 7.385 31.050 ( 1.476 1.742 3.448) 4.135 31.194 ( 6.021 -2.690 -4.493) 7.980 31.227 ( 2.799 -3.254 -5.479) 6.960 34.616 ( 4.631 8.758 7.082) 12.178 34.710 ( -4.667 9.209 4.723) 11.353 35.136 ( 3.574 2.715 -8.518) 9.628 35.205 ( -3.297 3.681 -9.678) 10.867 36.526 ( 6.348 -4.633 5.039) 9.336 36.601 ( 0.116 -4.812 1.648) 5.087 36.940 ( -1.761 -13.707 3.581) 14.276 36.990 ( -5.543 -13.130 1.573) 14.338 ======================= Grid point 450 (146/200) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 0.000 9.553 3.666) 10.232 2.107 ( 0.000 8.118 -3.614) 8.886 2.336 ( 0.000 3.608 -2.517) 4.400 2.498 ( 0.000 4.870 -6.557) 8.168 2.811 ( 0.000 0.527 7.420) 7.438 3.048 ( 0.000 -4.444 -5.520) 7.087 3.325 ( 0.000 9.749 3.003) 10.201 3.402 ( 0.000 -1.675 5.686) 5.927 3.420 ( 0.000 5.083 -0.805) 5.147 3.596 ( 0.000 -4.432 -4.199) 6.105 3.971 ( 0.000 10.961 5.952) 12.472 4.082 ( 0.000 8.848 0.314) 8.854 21.708 ( 0.000 -3.078 7.068) 7.709 22.089 ( 0.000 -8.873 -9.959) 13.338 22.758 ( 0.000 -3.229 -0.174) 3.233 22.966 ( 0.000 -7.782 -13.025) 15.173 23.701 ( 0.000 -4.063 -0.449) 4.088 23.705 ( 0.000 -4.732 -0.474) 4.755 24.636 ( 0.000 7.441 6.729) 10.033 24.889 ( 0.000 2.561 -5.901) 6.433 25.753 ( 0.000 -9.506 3.919) 10.282 25.876 ( 0.000 -7.738 -2.404) 8.103 26.505 ( 0.000 1.735 23.013) 23.078 27.293 ( 0.000 -12.567 -16.900) 21.060 29.820 ( 0.000 0.237 4.916) 4.922 30.077 ( 0.000 -5.559 -7.853) 9.621 30.518 ( 0.000 1.297 2.398) 2.727 30.577 ( 0.000 0.065 -0.703) 0.706 34.515 ( 0.000 4.559 7.655) 8.910 34.845 ( 0.000 -2.810 -8.861) 9.296 35.220 ( 0.000 9.430 6.319) 11.352 35.497 ( 0.000 4.283 -7.845) 8.938 36.151 ( 0.000 0.061 0.882) 0.884 36.243 ( 0.000 -0.852 -3.465) 3.568 36.918 ( 0.000 -16.897 5.942) 17.911 37.020 ( 0.000 -18.132 1.858) 18.227 ======================= Grid point 451 (147/200) ======================= q-point: ( 0.11 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.475 9.068 4.342) 10.354 2.102 ( -0.890 9.247 -0.648) 9.313 2.299 ( -3.114 2.116 -3.729) 5.299 2.460 ( -2.540 4.000 -7.571) 8.931 2.811 ( -0.545 1.239 5.587) 5.749 2.984 ( -6.208 -3.241 -2.577) 7.463 3.314 ( -5.890 -1.470 2.105) 6.425 3.347 ( -0.565 7.138 2.065) 7.452 3.500 ( 4.111 0.924 0.486) 4.241 3.554 ( -0.085 2.990 -2.833) 4.120 4.003 ( 2.368 9.573 5.120) 11.111 4.096 ( 1.204 8.385 0.574) 8.490 21.744 ( 3.597 -2.837 7.025) 8.387 22.118 ( 2.785 -8.556 -9.643) 13.189 22.741 ( -1.633 -3.350 -0.058) 3.727 22.945 ( -2.073 -7.623 -12.404) 14.706 23.581 ( -8.704 -3.975 2.041) 9.784 23.680 ( -4.747 -4.425 -3.044) 7.168 24.608 ( -3.188 8.482 7.790) 11.949 24.902 ( 0.945 3.778 -6.812) 7.847 25.730 ( -2.573 -8.910 4.091) 10.136 25.867 ( -1.158 -7.960 -2.761) 8.505 26.305 ( -17.759 -2.532 19.523) 26.512 26.956 ( -29.442 -14.366 -13.743) 35.526 30.051 ( 19.570 -0.159 3.341) 19.854 30.248 ( 15.634 -4.431 -6.307) 17.431 30.600 ( 7.685 1.210 2.214) 8.088 30.655 ( 7.336 0.010 -0.734) 7.372 34.534 ( 1.863 4.738 7.578) 9.130 34.862 ( 1.672 -2.456 -8.874) 9.358 35.199 ( -2.014 8.932 6.191) 11.053 35.473 ( -2.235 3.913 -7.904) 9.099 36.174 ( 2.259 -0.007 1.440) 2.679 36.276 ( 3.089 -1.077 -3.463) 4.764 36.897 ( -2.052 -16.316 5.828) 17.446 36.996 ( -2.334 -17.232 1.817) 17.484 ======================= Grid point 452 (148/200) ======================= q-point: ( 0.22 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 3.013 7.527 6.968) 10.691 2.071 ( -1.656 9.639 2.266) 10.039 2.228 ( -3.166 2.129 -2.880) 4.780 2.459 ( 2.856 1.212 -11.025) 11.454 2.766 ( -5.225 1.885 2.640) 6.150 2.825 ( -7.869 -0.736 1.869) 8.121 3.116 ( -13.078 -1.805 1.407) 13.277 3.278 ( -5.946 -1.851 -5.219) 8.125 3.580 ( 6.399 8.424 2.931) 10.978 3.675 ( 8.133 5.227 -0.996) 9.719 4.038 ( 0.805 8.626 4.505) 9.765 4.117 ( 0.584 7.505 0.729) 7.563 21.847 ( 6.606 -2.170 6.847) 9.759 22.192 ( 4.281 -7.502 -8.291) 11.973 22.696 ( -2.730 -3.792 0.135) 4.674 22.887 ( -3.614 -7.028 -10.509) 13.149 23.400 ( -8.217 -3.260 2.518) 9.191 23.546 ( -7.516 -4.014 -4.372) 9.577 24.478 ( -10.937 10.430 10.102) 18.179 24.876 ( -6.237 8.139 -9.253) 13.812 25.623 ( -8.549 -8.765 5.518) 13.429 25.815 ( -4.516 -8.646 -4.107) 10.584 25.951 ( -13.431 -11.729 11.625) 21.286 26.334 ( -27.522 -19.406 -8.100) 34.636 30.468 ( 20.321 -0.332 2.598) 20.490 30.618 ( 19.329 -2.998 -4.377) 20.044 30.792 ( 10.616 1.098 1.834) 10.829 30.841 ( 10.555 -0.376 -0.894) 10.599 34.589 ( 3.547 5.250 7.299) 9.665 34.907 ( 2.571 -0.956 -8.576) 9.004 35.146 ( -3.019 7.191 5.673) 9.644 35.413 ( -3.632 2.917 -7.991) 9.250 36.240 ( 4.215 -0.394 2.559) 4.947 36.356 ( 4.709 -1.804 -3.139) 5.940 36.839 ( -3.747 -14.603 5.542) 16.063 36.931 ( -4.021 -14.986 1.591) 15.598 ======================= Grid point 453 (149/200) ======================= q-point: ( 0.33 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 2.400 5.596 9.301) 11.117 2.046 ( -0.900 6.696 2.207) 7.108 2.227 ( 3.479 3.807 -0.983) 5.250 2.526 ( -0.052 -1.804 -6.540) 6.784 2.592 ( -7.268 3.031 1.992) 8.123 2.742 ( -1.119 1.727 -3.449) 4.016 2.830 ( -14.598 -1.464 2.589) 14.898 3.140 ( -7.640 -2.749 -9.714) 12.661 3.725 ( 7.530 9.468 4.241) 12.819 3.834 ( 7.505 5.404 -0.923) 9.294 4.030 ( -1.637 8.524 4.394) 9.729 4.111 ( -1.274 6.724 0.446) 6.858 22.000 ( 8.389 -1.244 6.338) 10.587 22.273 ( 3.275 -5.097 -4.952) 7.825 22.642 ( -2.412 -4.875 -0.329) 5.449 22.808 ( -4.358 -6.291 -8.001) 11.072 23.296 ( -1.260 -2.009 1.174) 2.646 23.432 ( -2.602 -2.831 -4.523) 5.936 24.160 ( -19.740 7.826 9.402) 23.223 24.544 ( -25.965 6.917 -8.691) 28.241 25.506 ( -0.742 -11.524 3.570) 12.087 25.685 ( -6.545 -10.270 -4.837) 13.103 25.804 ( -3.193 -15.472 5.846) 16.844 25.985 ( -9.193 -18.261 -2.893) 20.648 30.821 ( 14.502 0.016 2.852) 14.780 30.954 ( 13.455 -2.113 -2.970) 13.940 30.984 ( 7.899 0.920 1.700) 8.132 31.044 ( 8.988 -1.413 -1.607) 9.239 34.673 ( 4.810 6.010 6.686) 10.196 34.939 ( -0.443 4.090 -4.156) 5.848 35.104 ( -0.040 2.095 1.269) 2.450 35.333 ( -4.331 1.539 -7.939) 9.173 36.337 ( 5.359 -1.394 3.570) 6.589 36.453 ( 4.639 -2.912 -2.064) 5.853 36.754 ( -4.401 -12.079 4.978) 13.786 36.842 ( -4.796 -12.387 1.041) 13.324 ======================= Grid point 454 (150/200) ======================= q-point: ( 0.44 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 1.989 4.868 7.628) 9.265 2.049 ( 0.987 4.871 4.932) 7.001 2.327 ( 5.230 2.089 0.668) 5.672 2.410 ( -4.653 -2.285 4.366) 6.778 2.529 ( -3.064 6.081 -2.458) 7.239 2.578 ( -9.074 1.017 3.484) 9.773 2.816 ( 7.268 -1.280 -11.315) 13.509 2.978 ( -8.432 -2.372 -11.709) 14.623 3.865 ( 6.221 9.247 4.394) 11.980 3.955 ( 1.028 7.605 1.381) 7.798 3.984 ( 0.603 6.940 2.471) 7.391 4.064 ( -3.507 6.111 -0.001) 7.046 22.168 ( 7.983 -0.389 4.963) 9.408 22.286 ( -2.854 -1.134 1.046) 3.245 22.628 ( 1.947 -7.172 -3.515) 8.221 22.710 ( -5.211 -6.732 -6.089) 10.467 23.363 ( 7.388 1.769 1.564) 7.756 23.462 ( 2.700 2.120 -2.590) 4.300 23.811 ( -9.324 -1.310 2.766) 9.814 24.010 ( -23.510 -1.261 -6.090) 24.318 25.546 ( 3.073 -9.634 0.636) 10.132 25.602 ( -2.699 -9.154 -1.468) 9.656 25.786 ( 1.479 -16.925 1.921) 17.098 25.855 ( -4.985 -16.561 -0.975) 17.322 31.031 ( 6.426 0.595 2.810) 7.038 31.079 ( 1.502 1.066 2.328) 2.968 31.146 ( 5.340 -2.246 -2.414) 6.276 31.169 ( 2.903 -2.271 -2.332) 4.361 34.776 ( 5.375 6.849 5.520) 10.309 34.879 ( -4.712 7.282 3.032) 9.189 35.153 ( 4.086 -0.849 -5.563) 6.954 35.243 ( -4.643 0.079 -7.446) 8.775 36.445 ( 5.172 -2.933 3.914) 7.118 36.511 ( -0.128 -3.688 1.307) 3.915 36.693 ( -0.324 -10.015 2.419) 10.308 36.747 ( -4.442 -10.269 0.501) 11.200 ======================= Grid point 459 (151/200) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 7.668 -0.208) 7.671 2.200 ( 0.000 0.718 -7.848) 7.881 2.436 ( 0.000 5.908 2.982) 6.618 2.565 ( 0.000 1.262 -3.461) 3.684 2.835 ( 0.000 1.737 4.300) 4.638 2.956 ( 0.000 -4.172 -2.307) 4.767 3.325 ( 0.000 -1.533 3.461) 3.785 3.412 ( 0.000 -4.303 -0.565) 4.340 3.533 ( 0.000 6.522 0.974) 6.594 3.594 ( 0.000 2.500 -2.028) 3.219 4.157 ( 0.000 6.853 4.873) 8.409 4.217 ( 0.000 4.093 1.803) 4.472 21.703 ( 0.000 2.253 -0.424) 2.292 21.921 ( 0.000 -7.419 -10.633) 12.966 22.714 ( 0.000 -0.827 -0.334) 0.892 22.821 ( 0.000 -5.993 -6.456) 8.809 23.636 ( 0.000 -2.092 -0.209) 2.102 23.638 ( 0.000 -2.040 -0.342) 2.069 24.783 ( 0.000 6.438 3.941) 7.548 24.920 ( 0.000 0.175 -2.990) 2.995 25.616 ( 0.000 -3.472 3.585) 4.990 25.719 ( 0.000 -6.995 -1.670) 7.191 26.593 ( 0.000 6.680 14.293) 15.777 27.024 ( 0.000 -13.088 -7.267) 14.970 29.828 ( 0.000 0.933 1.045) 1.401 29.960 ( 0.000 -5.353 -5.502) 7.676 30.556 ( 0.000 1.932 2.440) 3.113 30.588 ( 0.000 0.499 0.722) 0.878 34.599 ( 0.000 3.827 3.996) 5.533 34.769 ( 0.000 -4.263 -4.436) 6.152 35.393 ( 0.000 7.238 3.362) 7.981 35.545 ( 0.000 0.314 -4.206) 4.218 36.188 ( 0.000 3.477 0.525) 3.516 36.259 ( 0.000 2.173 -2.529) 3.334 36.616 ( 0.000 -11.774 3.649) 12.326 36.693 ( 0.000 -13.296 0.487) 13.305 ======================= Grid point 460 (152/200) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 1.729 7.469 0.658) 7.694 2.219 ( 1.666 1.046 -6.944) 7.217 2.365 ( -6.022 5.114 3.233) 8.536 2.507 ( -4.557 0.259 -3.964) 6.045 2.847 ( 0.410 2.115 2.944) 3.648 2.928 ( -3.353 -2.097 -1.184) 4.128 3.264 ( -6.159 -2.067 1.640) 6.700 3.333 ( -6.778 -4.339 -0.798) 8.087 3.596 ( 5.498 5.583 1.001) 7.899 3.639 ( 4.711 3.375 -1.093) 5.897 4.173 ( 1.232 6.402 4.601) 7.979 4.227 ( 0.737 4.000 1.891) 4.486 21.741 ( 3.767 2.217 -0.085) 4.371 21.954 ( 3.266 -7.263 -10.067) 12.836 22.695 ( -1.894 -0.902 -0.243) 2.112 22.803 ( -1.797 -5.933 -6.290) 8.831 23.536 ( -7.510 -0.480 1.291) 7.635 23.603 ( -4.886 -3.096 -2.051) 6.137 24.783 ( -0.365 7.991 5.124) 9.499 24.952 ( 3.153 0.642 -3.376) 4.664 25.598 ( -2.026 -3.438 3.565) 5.351 25.704 ( -1.646 -7.231 -1.821) 7.636 26.310 ( -25.645 3.065 11.589) 28.308 26.666 ( -31.944 -13.231 -6.513) 35.184 30.050 ( 19.097 0.465 0.909) 19.124 30.153 ( 17.331 -4.341 -4.185) 18.349 30.633 ( 7.368 1.746 2.197) 7.884 30.663 ( 7.123 0.405 0.578) 7.158 34.621 ( 2.185 3.950 3.985) 6.021 34.791 ( 2.182 -4.120 -4.447) 6.442 35.364 ( -2.827 6.929 3.275) 8.168 35.515 ( -2.875 0.065 -4.300) 5.173 36.209 ( 2.077 3.420 0.908) 4.103 36.286 ( 2.449 1.812 -2.456) 3.913 36.608 ( -0.796 -11.197 3.652) 11.805 36.685 ( -0.848 -12.709 0.463) 12.746 ======================= Grid point 461 (153/200) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.062 6.462 4.382) 7.879 2.238 ( -5.571 1.757 2.579) 6.385 2.253 ( 1.349 4.912 -3.637) 6.259 2.450 ( -0.050 -2.156 -7.256) 7.569 2.806 ( -7.350 1.865 1.741) 7.780 2.834 ( -3.134 1.175 1.735) 3.770 3.074 ( -12.159 -1.357 -0.473) 12.244 3.192 ( -6.930 -5.276 -4.907) 9.997 3.729 ( 7.500 5.513 1.834) 9.487 3.770 ( 7.724 3.309 0.033) 8.403 4.191 ( 0.309 5.795 4.142) 7.130 4.237 ( 0.019 3.776 1.909) 4.231 21.849 ( 6.921 2.106 0.826) 7.282 22.044 ( 5.578 -6.620 -8.162) 11.898 22.642 ( -3.226 -1.103 -0.081) 3.410 22.752 ( -3.159 -5.822 -5.944) 8.900 23.378 ( -7.252 0.805 1.563) 7.462 23.476 ( -6.774 -3.030 -3.010) 8.008 24.725 ( -7.854 13.059 8.826) 17.610 25.026 ( 2.587 4.859 -5.643) 7.883 25.468 ( -16.984 -5.380 4.144) 18.292 25.622 ( -8.222 -9.231 -2.693) 12.652 25.774 ( -18.958 -5.217 5.886) 20.524 25.972 ( -29.574 -14.870 -4.594) 33.419 30.465 ( 20.565 0.403 1.256) 20.608 30.549 ( 20.136 -3.343 -2.640) 20.582 30.819 ( 10.275 1.283 1.609) 10.479 30.842 ( 9.942 0.140 0.329) 9.948 34.685 ( 4.143 4.302 3.912) 7.140 34.854 ( 4.068 -3.643 -4.500) 7.076 35.287 ( -4.770 6.154 3.157) 8.402 35.437 ( -4.753 -0.618 -4.450) 6.541 36.266 ( 3.443 2.938 1.641) 4.815 36.348 ( 3.521 0.856 -2.106) 4.191 36.586 ( -1.432 -9.583 3.606) 10.339 36.660 ( -1.650 -11.117 0.416) 11.246 ======================= Grid point 462 (154/200) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.775 4.546 8.092) 9.314 2.150 ( -2.492 2.980 3.604) 5.299 2.306 ( 3.381 3.944 -2.542) 5.784 2.464 ( -1.791 -3.432 -3.154) 4.994 2.663 ( -3.548 2.729 -1.806) 4.827 2.744 ( -6.813 -1.632 3.672) 7.910 2.836 ( -9.470 3.017 -5.235) 11.233 3.051 ( -7.290 -5.411 -8.933) 12.737 3.882 ( 7.484 5.536 2.620) 9.671 3.926 ( 7.589 3.088 0.558) 8.212 4.178 ( -1.738 5.494 3.756) 6.879 4.220 ( -1.774 3.501 1.691) 4.274 22.009 ( 8.908 2.054 1.874) 9.331 22.169 ( 6.713 -4.851 -5.097) 9.725 22.569 ( -4.312 -1.768 0.207) 4.664 22.678 ( -4.465 -5.975 -5.209) 9.097 23.297 ( 0.403 1.605 0.445) 1.713 23.385 ( -0.810 -1.954 -3.242) 3.871 24.372 ( -26.321 12.339 8.804) 30.373 24.686 ( -36.563 5.072 -5.660) 37.344 25.254 ( 3.933 -10.945 2.604) 11.918 25.439 ( -4.503 -13.000 -5.602) 14.854 25.583 ( -5.020 -5.547 4.126) 8.543 25.695 ( -5.806 -10.114 -1.382) 11.744 30.825 ( 14.804 0.556 1.558) 14.896 30.899 ( 14.143 -2.820 -1.778) 14.531 31.005 ( 7.533 0.887 1.122) 7.668 31.028 ( 7.940 -0.449 0.051) 7.953 34.783 ( 5.594 4.841 3.677) 8.261 34.947 ( 5.067 -2.406 -4.553) 7.224 35.181 ( -5.530 4.773 3.136) 7.949 35.331 ( -5.706 -1.600 -4.489) 7.435 36.340 ( 3.848 1.753 2.261) 4.795 36.418 ( 3.275 -0.489 -1.364) 3.581 36.553 ( -1.781 -7.342 3.355) 8.266 36.620 ( -2.292 -8.966 0.350) 9.261 ======================= Grid point 463 (155/200) ======================= q-point: ( 0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.501 4.181 8.278) 9.605 2.147 ( 1.475 4.284 5.243) 6.929 2.335 ( -1.500 -1.326 3.845) 4.335 2.360 ( -4.843 -2.399 3.868) 6.646 2.615 ( -1.808 2.849 -1.211) 3.585 2.654 ( -2.863 5.735 -6.427) 9.077 2.772 ( 4.044 -2.566 -9.319) 10.478 2.902 ( -7.483 -4.700 -10.507) 13.729 4.018 ( 6.063 5.494 3.066) 8.738 4.063 ( 5.895 3.202 0.928) 6.773 4.121 ( -3.881 5.325 3.443) 7.434 4.164 ( -3.923 3.236 1.355) 5.263 22.190 ( 8.640 2.582 1.978) 9.232 22.283 ( 2.244 0.607 -1.607) 2.825 22.486 ( -1.686 -5.903 -0.267) 6.145 22.565 ( -6.597 -6.984 -3.496) 10.224 23.425 ( 12.233 3.578 0.100) 12.746 23.498 ( 12.170 0.727 -3.447) 12.670 23.842 ( -22.488 3.920 3.395) 23.079 23.989 ( -29.706 -1.309 -3.943) 29.995 25.364 ( 5.633 -6.435 1.204) 8.636 25.443 ( 0.429 -6.248 -1.739) 6.500 25.507 ( -0.729 -9.364 1.790) 9.562 25.587 ( -5.466 -9.817 -1.419) 11.325 31.041 ( 6.788 0.597 1.432) 6.963 31.096 ( 1.249 0.646 0.991) 1.720 31.099 ( 5.749 -2.122 -0.937) 6.199 31.133 ( 2.139 -1.321 -0.485) 2.561 34.902 ( 6.178 5.531 3.101) 8.853 35.008 ( -2.361 4.755 -0.274) 5.316 35.114 ( 2.047 -2.279 -1.056) 3.240 35.214 ( -5.964 -2.732 -4.205) 7.792 36.414 ( 3.346 -0.008 2.509) 4.183 36.458 ( -0.227 -1.255 0.978) 1.607 36.531 ( 0.568 -5.819 1.518) 6.040 36.571 ( -2.552 -6.809 0.263) 7.276 ======================= Grid point 468 (156/200) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.000 -4.326 -4.273) 6.080 2.158 ( 0.000 4.326 -4.273) 6.080 2.541 ( 0.000 -3.530 0.300) 3.543 2.541 ( 0.000 3.530 0.300) 3.543 2.882 ( 0.000 -2.928 1.104) 3.129 2.882 ( 0.000 2.928 1.104) 3.129 3.333 ( 0.000 -2.458 0.748) 2.569 3.333 ( 0.000 2.458 0.748) 2.569 3.612 ( 0.000 -1.268 -0.352) 1.316 3.612 ( 0.000 1.268 -0.352) 1.316 4.245 ( 0.000 -1.498 3.379) 3.696 4.245 ( 0.000 1.498 3.379) 3.696 21.786 ( 0.000 -5.516 -6.891) 8.827 21.786 ( 0.000 5.516 -6.891) 8.827 22.731 ( 0.000 -2.577 -2.199) 3.388 22.731 ( 0.000 2.577 -2.199) 3.388 23.616 ( 0.000 -0.096 -0.146) 0.174 23.616 ( 0.000 0.096 -0.146) 0.174 24.887 ( 0.000 -3.398 0.511) 3.436 24.887 ( 0.000 3.398 0.511) 3.436 25.612 ( 0.000 -2.867 0.936) 3.016 25.612 ( 0.000 2.867 0.936) 3.016 26.774 ( 0.000 -10.737 3.583) 11.319 26.774 ( 0.000 10.737 3.583) 11.319 29.870 ( 0.000 -3.246 -2.464) 4.075 29.870 ( 0.000 3.246 -2.464) 4.075 30.586 ( 0.000 -0.821 1.824) 2.001 30.586 ( 0.000 0.821 1.824) 2.001 34.680 ( 0.000 -4.146 -0.104) 4.147 34.680 ( 0.000 4.146 -0.104) 4.147 35.509 ( 0.000 -3.771 -0.314) 3.784 35.509 ( 0.000 3.771 -0.314) 3.784 36.274 ( 0.000 -3.079 0.099) 3.081 36.274 ( 0.000 3.079 0.099) 3.081 36.503 ( 0.000 -3.217 0.414) 3.244 36.503 ( 0.000 3.217 0.414) 3.244 ======================= Grid point 470 (157/200) ======================= q-point: ( 0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.552 -4.410 -3.329) 5.740 2.176 ( 1.552 4.410 -3.329) 5.740 2.468 ( -5.908 -3.900 0.197) 7.082 2.468 ( -5.908 3.900 0.197) 7.082 2.890 ( -0.275 -1.924 0.536) 2.016 2.890 ( -0.275 1.924 0.536) 2.016 3.260 ( -6.827 -1.950 0.181) 7.102 3.260 ( -6.827 1.950 0.181) 7.102 3.666 ( 5.045 -1.005 -0.017) 5.144 3.666 ( 5.045 1.005 -0.017) 5.144 4.254 ( 0.772 -1.358 3.319) 3.668 4.254 ( 0.772 1.358 3.319) 3.668 21.822 ( 3.569 -5.396 -6.254) 8.998 21.822 ( 3.569 5.396 -6.254) 8.998 22.712 ( -1.858 -2.661 -2.278) 3.965 22.712 ( -1.858 2.661 -2.278) 3.965 23.552 ( -5.886 -1.782 -0.233) 6.154 23.552 ( -5.886 1.782 -0.233) 6.154 24.915 ( 2.699 -4.338 1.081) 5.223 24.915 ( 2.699 4.338 1.081) 5.223 25.594 ( -1.998 -2.907 0.875) 3.634 25.594 ( -1.998 2.907 0.875) 3.634 26.434 ( -30.903 -8.892 2.260) 32.236 26.434 ( -30.903 8.892 2.260) 32.236 30.080 ( 18.471 -2.568 -1.655) 18.722 30.080 ( 18.471 2.568 -1.655) 18.722 30.661 ( 7.089 -0.757 1.581) 7.303 30.661 ( 7.089 0.757 1.581) 7.303 34.704 ( 2.323 -4.151 -0.091) 4.758 34.704 ( 2.323 4.151 -0.091) 4.758 35.476 ( -3.145 -3.765 -0.381) 4.921 35.476 ( -3.145 3.765 -0.381) 4.921 36.295 ( 1.962 -3.189 0.267) 3.754 36.295 ( 1.962 3.189 0.267) 3.754 36.502 ( -0.138 -3.221 0.443) 3.254 36.502 ( -0.138 3.221 0.443) 3.254 ======================= Grid point 472 (158/200) ======================= q-point: ( 0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -0.740 -3.910 1.816) 4.374 2.194 ( -0.740 3.910 1.816) 4.374 2.376 ( -1.691 -4.911 -3.349) 6.180 2.376 ( -1.691 4.911 -3.349) 6.180 2.839 ( -5.186 -1.025 1.706) 5.555 2.839 ( -5.186 1.025 1.706) 5.555 3.094 ( -8.844 -3.472 -3.244) 10.040 3.094 ( -8.844 3.472 -3.244) 10.040 3.796 ( 7.522 -0.915 0.836) 7.623 3.796 ( 7.522 0.915 0.836) 7.623 4.264 ( -0.020 -1.148 3.116) 3.321 4.264 ( -0.020 1.148 3.116) 3.321 21.924 ( 6.476 -4.934 -4.384) 9.247 21.924 ( 6.476 4.934 -4.384) 9.247 22.660 ( -3.278 -2.822 -2.568) 5.030 22.660 ( -3.278 2.822 -2.568) 5.030 23.417 ( -6.549 -2.613 -0.495) 7.068 23.417 ( -6.549 2.613 -0.495) 7.068 24.977 ( 1.928 -9.670 4.162) 10.703 24.977 ( 1.928 9.670 4.162) 10.703 25.466 ( -17.722 -5.209 -1.797) 18.559 25.466 ( -17.722 5.209 -1.797) 18.559 25.762 ( -25.065 -4.788 0.545) 25.524 25.762 ( -25.065 4.788 0.545) 25.524 30.491 ( 20.570 -2.121 -0.583) 20.688 30.491 ( 20.570 2.121 -0.583) 20.688 30.839 ( 9.854 -0.567 1.052) 9.926 30.839 ( 9.854 0.567 1.052) 9.926 34.771 ( 4.397 -4.159 -0.089) 6.053 34.771 ( 4.397 4.159 -0.089) 6.053 35.391 ( -5.242 -3.771 -0.501) 6.477 35.391 ( -5.242 3.771 -0.501) 6.477 36.344 ( 2.774 -3.270 0.650) 4.337 36.344 ( 2.774 3.270 0.650) 4.337 36.498 ( -0.300 -3.129 0.542) 3.190 36.498 ( -0.300 3.129 0.542) 3.190 ======================= Grid point 474 (159/200) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.878 -1.657 5.822) 6.116 2.162 ( -0.878 1.657 5.822) 6.116 2.388 ( 0.544 -3.937 -2.925) 4.935 2.388 ( 0.544 3.937 -2.925) 4.935 2.705 ( -6.213 -1.814 1.187) 6.580 2.705 ( -6.213 1.814 1.187) 6.580 2.933 ( -7.274 -5.686 -7.454) 11.866 2.933 ( -7.274 5.686 -7.454) 11.866 3.949 ( 7.503 -0.999 1.531) 7.722 3.949 ( 7.503 0.999 1.531) 7.722 4.247 ( -1.878 -1.046 2.793) 3.524 4.247 ( -1.878 1.046 2.793) 3.524 22.075 ( 8.591 -4.099 -1.866) 9.700 22.075 ( 8.591 4.099 -1.866) 9.700 22.581 ( -4.920 -2.956 -2.490) 6.257 22.581 ( -4.920 2.956 -2.490) 6.257 23.342 ( 0.430 -2.344 -1.162) 2.651 23.342 ( 0.430 2.344 -1.162) 2.651 24.630 ( -36.795 -10.649 4.217) 38.537 24.630 ( -36.795 10.649 4.217) 38.537 25.209 ( 3.351 -7.285 -3.984) 8.954 25.209 ( 3.351 7.285 -3.984) 8.954 25.560 ( -5.145 -2.947 1.293) 6.068 25.560 ( -5.145 2.947 1.293) 6.068 30.849 ( 14.645 -1.859 -0.036) 14.762 30.849 ( 14.645 1.859 -0.036) 14.762 31.019 ( 7.435 -0.496 0.576) 7.474 31.019 ( 7.435 0.496 0.576) 7.474 34.876 ( 5.946 -4.149 -0.160) 7.252 34.876 ( 5.946 4.149 -0.160) 7.252 35.273 ( -6.369 -3.844 -0.550) 7.460 35.273 ( -6.369 3.844 -0.550) 7.460 36.398 ( 2.552 -3.015 1.000) 4.075 36.398 ( 2.552 3.015 1.000) 4.075 36.489 ( -0.593 -2.782 0.728) 2.936 36.489 ( -0.593 2.782 0.728) 2.936 ======================= Grid point 476 (160/200) ======================= q-point: ( 0.44 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 4.294 -0.792 6.545) 7.868 2.194 ( 4.294 0.792 6.545) 7.868 2.317 ( -6.858 -0.996 5.117) 8.614 2.317 ( -6.858 0.996 5.117) 8.614 2.684 ( 3.790 -3.202 -6.663) 8.307 2.684 ( 3.790 3.202 -6.663) 8.307 2.796 ( -6.570 -5.253 -8.382) 11.875 2.796 ( -6.570 5.253 -8.382) 11.875 4.086 ( 6.076 -1.031 2.013) 6.483 4.086 ( 6.076 1.031 2.013) 6.483 4.188 ( -4.048 -1.027 2.415) 4.824 4.188 ( -4.048 1.027 2.415) 4.824 22.261 ( 9.825 -3.428 -0.457) 10.416 22.261 ( 9.825 3.428 -0.457) 10.416 22.449 ( -8.390 -3.168 -1.193) 9.047 22.449 ( -8.390 3.168 -1.193) 9.047 23.485 ( 14.748 -1.900 -1.707) 14.968 23.485 ( 14.748 1.900 -1.707) 14.968 23.935 ( -29.906 -4.087 -0.228) 30.185 23.935 ( -29.906 4.087 -0.228) 30.185 25.326 ( 6.687 -2.942 -0.605) 7.331 25.326 ( 6.687 2.942 -0.605) 7.331 25.453 ( -5.837 -2.801 0.667) 6.508 25.453 ( -5.837 2.801 0.667) 6.508 31.061 ( 6.528 -1.405 0.165) 6.679 31.061 ( 6.528 1.405 0.165) 6.679 31.111 ( 1.368 -0.874 0.303) 1.652 31.111 ( 1.368 0.874 0.303) 1.652 35.004 ( 6.764 -4.092 -0.314) 7.912 35.004 ( 6.764 4.092 -0.314) 7.912 35.141 ( -6.862 -3.975 -0.476) 7.944 35.141 ( -6.862 3.976 -0.476) 7.944 36.443 ( 1.862 -2.504 1.112) 3.313 36.443 ( 1.862 2.504 1.112) 3.313 36.472 ( -1.130 -2.368 0.968) 2.797 36.472 ( -1.130 2.368 0.968) 2.797 ======================= Grid point 540 (161/200) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 0.000 -16.276) 16.276 1.535 ( 0.000 0.000 16.276) 16.276 1.577 ( 0.000 0.000 -18.566) 18.566 1.577 ( 0.000 0.000 18.566) 18.566 2.536 ( 0.000 0.000 -24.003) 24.003 2.536 ( 0.000 0.000 24.003) 24.003 2.726 ( 0.000 0.000 -3.867) 3.867 2.726 ( 0.000 0.000 3.867) 3.867 3.250 ( 0.000 0.000 -14.613) 14.613 3.250 ( 0.000 0.000 14.613) 14.613 3.909 ( 0.000 0.000 -7.825) 7.825 3.909 ( 0.000 0.000 7.825) 7.825 22.801 ( 0.000 0.000 -13.934) 13.934 22.801 ( 0.000 0.000 13.934) 13.934 23.717 ( 0.000 0.000 -2.462) 2.462 23.717 ( 0.000 0.000 2.462) 2.462 24.048 ( 0.000 0.000 -8.488) 8.488 24.048 ( 0.000 0.000 8.488) 8.488 24.901 ( 0.000 0.000 -11.643) 11.643 24.901 ( 0.000 0.000 11.643) 11.643 26.150 ( 0.000 0.000 -1.073) 1.073 26.150 ( 0.000 0.000 1.073) 1.073 27.105 ( 0.000 0.000 -5.924) 5.924 27.105 ( 0.000 0.000 5.924) 5.924 29.952 ( 0.000 0.000 -22.906) 22.906 29.952 ( 0.000 0.000 22.906) 22.906 30.925 ( 0.000 0.000 -6.831) 6.831 30.925 ( 0.000 0.000 6.831) 6.831 33.950 ( 0.000 0.000 -11.579) 11.579 33.950 ( 0.000 0.000 11.579) 11.579 34.635 ( 0.000 0.000 -10.341) 10.341 34.635 ( 0.000 0.000 10.341) 10.341 36.544 ( 0.000 0.000 -5.931) 5.931 36.544 ( 0.000 0.000 5.931) 5.931 38.690 ( 0.000 0.000 -15.038) 15.038 38.690 ( 0.000 0.000 15.038) 15.038 ======================= Grid point 542 (162/200) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -2.103 0.000 -17.803) 17.926 1.548 ( -2.103 0.000 17.803) 17.926 1.585 ( 4.881 0.000 -15.488) 16.239 1.585 ( 4.881 0.000 15.488) 16.239 2.619 ( 7.523 0.000 -23.506) 24.681 2.619 ( 7.523 0.000 23.506) 24.681 2.701 ( -2.534 0.000 -4.069) 4.794 2.701 ( -2.534 0.000 4.069) 4.794 3.188 ( -5.962 0.000 -12.607) 13.946 3.188 ( -5.962 0.000 12.607) 13.946 3.890 ( -2.002 0.000 -6.254) 6.567 3.890 ( -2.002 0.000 6.254) 6.567 22.757 ( -3.957 0.000 -13.775) 14.332 22.757 ( -3.957 0.000 13.775) 14.332 23.715 ( -0.208 0.000 -2.761) 2.769 23.715 ( -0.208 0.000 2.761) 2.769 23.862 ( -16.966 0.000 -13.709) 21.812 23.862 ( -16.966 0.000 13.709) 21.812 24.866 ( -3.402 0.000 -11.274) 11.776 24.866 ( -3.402 0.000 11.274) 11.776 26.078 ( -5.298 0.000 -2.883) 6.031 26.078 ( -5.298 0.000 2.883) 6.031 27.279 ( 14.072 0.000 -6.151) 15.358 27.279 ( 14.072 0.000 6.151) 15.358 30.108 ( 14.584 0.000 -19.371) 24.247 30.108 ( 14.584 0.000 19.371) 24.247 30.957 ( 3.233 0.000 -6.234) 7.023 30.957 ( 3.233 0.000 6.234) 7.023 33.948 ( -0.150 0.000 -10.701) 10.702 33.948 ( -0.150 0.000 10.701) 10.702 34.639 ( 0.361 0.000 -9.552) 9.559 34.639 ( 0.361 0.000 9.552) 9.559 36.572 ( 2.813 0.000 -5.925) 6.559 36.572 ( 2.813 0.000 5.925) 6.559 38.594 ( -9.146 0.000 -12.295) 15.324 38.594 ( -9.146 0.000 12.295) 15.324 ======================= Grid point 544 (163/200) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 1.320 0.000 -14.624) 14.684 1.532 ( 1.320 0.000 14.624) 14.684 1.720 ( 8.373 0.000 -13.514) 15.898 1.720 ( 8.373 0.000 13.514) 15.898 2.626 ( -4.955 0.000 -4.655) 6.798 2.626 ( -4.955 0.000 4.655) 6.798 2.780 ( 5.498 0.000 -17.913) 18.738 2.780 ( 5.498 0.000 17.913) 18.738 3.048 ( -5.301 0.000 -8.374) 9.911 3.048 ( -5.301 0.000 8.374) 9.911 3.827 ( -4.334 0.000 -6.356) 7.693 3.827 ( -4.334 0.000 6.356) 7.693 22.669 ( -4.148 0.000 -14.144) 14.739 22.669 ( -4.148 0.000 14.144) 14.739 23.463 ( -20.976 0.000 -20.269) 29.169 23.463 ( -20.976 0.000 20.269) 29.169 23.712 ( -0.014 0.000 -3.233) 3.233 23.712 ( -0.014 0.000 3.233) 3.233 24.774 ( -5.521 0.000 -10.001) 11.424 24.774 ( -5.521 0.000 10.001) 11.424 25.987 ( -3.604 0.000 -4.134) 5.485 25.987 ( -3.604 0.000 4.134) 5.485 27.556 ( 12.325 0.000 -6.052) 13.730 27.556 ( 12.325 0.000 6.052) 13.730 30.460 ( 18.531 0.000 -12.775) 22.507 30.460 ( 18.531 0.000 12.775) 22.507 31.051 ( 6.016 0.000 -4.412) 7.461 31.051 ( 6.016 0.000 4.412) 7.461 33.944 ( -0.199 0.000 -8.373) 8.375 33.944 ( -0.199 0.000 8.373) 8.375 34.648 ( 0.522 0.000 -7.465) 7.483 34.648 ( 0.522 0.000 7.465) 7.483 36.654 ( 5.266 0.000 -5.740) 7.789 36.654 ( 5.266 0.000 5.740) 7.789 38.357 ( -13.671 0.000 -6.522) 15.147 38.357 ( -13.671 0.000 6.522) 15.147 ======================= Grid point 546 (164/200) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 6.499 0.000 -9.679) 11.659 1.613 ( 6.499 0.000 9.679) 11.659 1.905 ( 9.838 0.000 -10.990) 14.750 1.905 ( 9.838 0.000 10.990) 14.750 2.506 ( -6.981 0.000 -5.494) 8.884 2.506 ( -6.981 0.000 5.494) 8.884 2.685 ( -11.396 0.000 -5.698) 12.741 2.685 ( -11.396 0.000 5.698) 12.741 3.130 ( 10.249 0.000 -18.328) 20.999 3.130 ( 10.249 0.000 18.328) 20.999 3.716 ( -6.769 0.000 -10.299) 12.324 3.716 ( -6.769 0.000 10.299) 12.324 22.616 ( -0.736 0.000 -16.778) 16.795 22.616 ( -0.736 0.000 16.778) 16.795 23.078 ( -16.965 0.000 -23.196) 28.738 23.078 ( -16.965 0.000 23.196) 28.738 23.716 ( 0.396 0.000 -3.007) 3.033 23.716 ( 0.396 0.000 3.007) 3.033 24.661 ( -5.269 0.000 -7.334) 9.031 24.661 ( -5.269 0.000 7.334) 9.031 25.932 ( -2.017 0.000 -3.283) 3.853 25.932 ( -2.017 0.000 3.283) 3.853 27.750 ( 7.146 0.000 -4.571) 8.483 27.750 ( 7.146 0.000 4.571) 8.483 30.775 ( 11.932 0.000 -7.813) 14.262 30.775 ( 11.932 0.000 7.813) 14.262 31.188 ( 7.294 0.000 -1.915) 7.541 31.188 ( 7.294 0.000 1.915) 7.541 33.941 ( -0.148 0.000 -5.225) 5.227 33.941 ( -0.148 0.000 5.225) 5.227 34.658 ( 0.430 0.000 -4.654) 4.674 34.658 ( 0.430 0.000 4.654) 4.674 36.773 ( 6.252 0.000 -4.814) 7.891 36.773 ( 6.252 0.000 4.814) 7.891 38.086 ( -12.549 0.000 -1.779) 12.675 38.086 ( -12.549 0.000 1.779) 12.675 ======================= Grid point 548 (165/200) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.539 0.000 -3.944) 6.799 1.752 ( 5.539 0.000 3.944) 6.799 2.092 ( 7.757 0.000 -7.016) 10.459 2.092 ( 7.757 0.000 7.016) 10.459 2.360 ( -6.663 0.000 -5.164) 8.430 2.360 ( -6.663 0.000 5.164) 8.430 2.472 ( -7.528 0.000 -2.988) 8.100 2.472 ( -7.528 0.000 2.988) 8.100 3.343 ( 10.078 0.000 -16.401) 19.250 3.343 ( 10.078 0.000 16.401) 19.250 3.561 ( -8.397 0.000 -13.306) 15.734 3.561 ( -8.397 0.000 13.306) 15.734 22.651 ( 4.462 0.000 -20.835) 21.307 22.651 ( 4.462 0.000 20.835) 21.307 22.801 ( -10.638 0.000 -23.361) 25.670 22.801 ( -10.638 0.000 23.361) 25.670 23.724 ( 0.302 0.000 -1.312) 1.346 23.724 ( 0.302 0.000 1.312) 1.346 24.582 ( -2.228 0.000 -2.799) 3.577 24.582 ( -2.228 0.000 2.799) 3.577 25.905 ( -0.680 0.000 -1.212) 1.390 25.905 ( -0.680 0.000 1.212) 1.390 27.843 ( 2.282 0.000 -1.727) 2.862 27.843 ( 2.282 0.000 1.727) 2.862 30.926 ( 3.577 0.000 -2.754) 4.515 30.926 ( 3.577 0.000 2.754) 4.515 31.306 ( 3.502 0.000 -0.375) 3.522 31.306 ( 3.502 0.000 0.375) 3.522 33.939 ( -0.052 0.000 -1.764) 1.765 33.939 ( -0.052 0.000 1.764) 1.765 34.664 ( 0.163 0.000 -1.570) 1.579 34.664 ( 0.163 0.000 1.570) 1.579 36.877 ( 3.296 0.000 -2.118) 3.918 36.877 ( 3.296 0.000 2.118) 3.918 37.895 ( -5.537 0.000 -0.378) 5.550 37.895 ( -5.537 0.000 0.378) 5.550 ======================= Grid point 558 (166/200) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 1.246 -4.564) 4.731 1.529 ( 0.000 1.246 4.564) 4.731 1.681 ( 0.000 7.765 -5.817) 9.702 1.681 ( 0.000 7.765 5.817) 9.702 2.533 ( 0.000 1.505 -18.859) 18.919 2.533 ( 0.000 1.505 18.859) 18.919 2.857 ( 0.000 10.534 -7.388) 12.866 2.857 ( 0.000 10.534 7.388) 12.866 3.238 ( 0.000 -0.961 -13.953) 13.986 3.238 ( 0.000 -0.961 13.953) 13.986 3.891 ( 0.000 -1.766 -7.682) 7.883 3.891 ( 0.000 -1.766 7.682) 7.883 22.789 ( 0.000 -1.388 -13.269) 13.342 22.789 ( 0.000 -1.388 13.269) 13.342 23.508 ( 0.000 -16.657 -9.652) 19.251 23.508 ( 0.000 -16.657 9.652) 19.251 24.109 ( 0.000 2.920 -8.693) 9.170 24.109 ( 0.000 2.920 8.693) 9.170 24.791 ( 0.000 -8.912 -10.178) 13.528 24.791 ( 0.000 -8.912 10.178) 13.528 26.173 ( 0.000 1.768 -2.775) 3.290 26.173 ( 0.000 1.768 2.775) 3.290 27.145 ( 0.000 2.766 -11.329) 11.661 27.145 ( 0.000 2.766 11.329) 11.661 29.951 ( 0.000 0.048 -20.980) 20.980 29.951 ( 0.000 0.048 20.980) 20.980 30.878 ( 0.000 -4.226 -6.404) 7.673 30.878 ( 0.000 -4.226 6.404) 7.673 34.049 ( 0.000 8.913 -12.695) 15.511 34.049 ( 0.000 8.913 12.695) 15.511 34.685 ( 0.000 4.656 -10.551) 11.533 34.685 ( 0.000 4.656 10.551) 11.533 36.512 ( 0.000 -3.024 -5.598) 6.363 36.512 ( 0.000 -3.024 5.598) 6.363 38.573 ( 0.000 -10.917 -13.201) 17.130 38.573 ( 0.000 -10.917 13.201) 17.130 ======================= Grid point 560 (167/200) ======================= q-point: ( 0.11 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.777 1.456 -5.682) 5.916 1.546 ( 0.777 1.456 5.682) 5.916 1.682 ( 1.686 7.286 -4.728) 8.848 1.682 ( 1.686 7.286 4.728) 8.848 2.598 ( 5.221 1.029 -16.627) 17.458 2.598 ( 5.221 1.029 16.627) 17.458 2.846 ( -0.707 10.594 -9.172) 14.030 2.846 ( -0.707 10.594 9.172) 14.030 3.177 ( -5.785 -0.873 -11.899) 13.259 3.177 ( -5.785 -0.873 11.899) 13.259 3.874 ( -1.765 -1.511 -6.104) 6.531 3.874 ( -1.765 -1.511 6.104) 6.531 22.750 ( -3.540 -0.928 -13.092) 13.594 22.750 ( -3.540 -0.928 13.092) 13.594 23.464 ( -4.825 -16.993 -12.448) 21.610 23.464 ( -4.825 -16.993 12.448) 21.610 23.986 ( -10.447 5.355 -8.608) 14.558 23.986 ( -10.447 5.355 8.608) 14.558 24.761 ( -3.067 -8.819 -9.922) 13.625 24.761 ( -3.067 -8.819 9.922) 13.625 26.106 ( -5.181 2.273 -1.718) 5.913 26.106 ( -5.181 2.273 1.718) 5.913 27.265 ( 9.965 -1.794 -9.896) 14.158 27.265 ( 9.965 -1.794 9.896) 14.158 30.113 ( 15.008 0.517 -17.806) 23.293 30.113 ( 15.008 0.517 17.806) 23.293 30.914 ( 3.512 -3.917 -5.942) 7.936 30.914 ( 3.512 -3.917 5.942) 7.936 34.048 ( -0.062 8.996 -11.812) 14.848 34.048 ( -0.062 8.996 11.812) 14.848 34.688 ( 0.288 4.578 -9.789) 10.811 34.688 ( 0.288 4.578 9.789) 10.811 36.541 ( 2.896 -2.948 -5.622) 6.977 36.541 ( 2.896 -2.948 5.622) 6.977 38.484 ( -8.532 -10.306 -10.839) 17.219 38.484 ( -8.532 -10.306 10.839) 17.219 ======================= Grid point 562 (168/200) ======================= q-point: ( 0.22 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 1.309 2.357 -12.554) 12.840 1.555 ( 1.309 2.357 12.554) 12.840 1.783 ( 7.769 5.580 -12.549) 15.779 1.783 ( 7.769 5.580 12.549) 15.779 2.654 ( -1.333 2.894 -8.015) 8.625 2.654 ( -1.333 2.894 8.015) 8.625 2.845 ( -1.525 5.452 -10.308) 11.760 2.845 ( -1.525 5.452 10.308) 11.760 3.059 ( -2.374 1.554 -8.767) 9.215 3.059 ( -2.374 1.554 8.767) 9.215 3.817 ( -3.945 -0.863 -6.112) 7.325 3.817 ( -3.945 -0.863 6.112) 7.325 22.671 ( -3.782 -0.042 -13.342) 13.868 22.671 ( -3.782 -0.042 13.342) 13.868 23.290 ( -12.566 -13.082 -19.334) 26.512 23.290 ( -12.566 -13.082 19.334) 26.512 23.793 ( -7.161 4.542 -5.281) 9.990 23.793 ( -7.161 4.542 5.281) 9.990 24.675 ( -5.248 -8.642 -8.838) 13.429 24.675 ( -5.248 -8.642 8.838) 13.429 26.012 ( -3.901 2.002 -2.673) 5.135 26.012 ( -3.901 2.002 2.673) 5.135 27.467 ( 9.235 -8.460 -7.679) 14.691 27.467 ( 9.235 -8.460 7.679) 14.691 30.471 ( 18.737 1.101 -12.355) 22.470 30.471 ( 18.737 1.101 12.355) 22.470 31.014 ( 6.385 -3.238 -4.578) 8.498 31.014 ( 6.385 -3.238 4.578) 8.498 34.046 ( -0.109 9.167 -9.391) 13.124 34.046 ( -0.109 9.167 9.391) 13.124 34.696 ( 0.446 4.416 -7.724) 8.909 34.696 ( 0.446 4.416 7.724) 8.909 36.625 ( 5.418 -2.739 -5.513) 8.200 36.625 ( 5.418 -2.739 5.513) 8.200 38.261 ( -12.976 -9.026 -5.764) 16.825 38.261 ( -12.976 -9.026 5.764) 16.825 ======================= Grid point 564 (169/200) ======================= q-point: ( 0.33 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 5.833 1.547 -9.021) 10.853 1.627 ( 5.833 1.547 9.021) 10.853 1.963 ( 9.704 5.126 -11.190) 15.674 1.963 ( 9.704 5.126 11.190) 15.674 2.566 ( -6.507 5.311 -5.888) 10.257 2.566 ( -6.507 5.311 5.888) 10.257 2.683 ( -11.685 -0.008 -4.921) 12.679 2.683 ( -11.685 -0.008 4.921) 12.679 3.167 ( 9.675 3.634 -17.302) 20.154 3.167 ( 9.675 3.634 17.302) 20.154 3.715 ( -6.270 0.022 -9.774) 11.612 3.715 ( -6.270 0.022 9.774) 11.612 22.621 ( -0.868 0.302 -15.776) 15.803 22.621 ( -0.868 0.302 15.776) 15.803 23.012 ( -13.824 -6.055 -22.586) 27.164 23.012 ( -13.824 -6.055 22.586) 27.164 23.706 ( -2.229 -0.923 -2.996) 3.846 23.706 ( -2.229 -0.923 2.996) 3.846 24.567 ( -5.030 -8.431 -6.450) 11.747 24.567 ( -5.030 -8.431 6.450) 11.747 25.952 ( -2.153 1.570 -2.416) 3.597 25.952 ( -2.153 1.570 2.416) 3.597 27.616 ( 5.595 -12.625 -5.156) 14.740 27.616 ( 5.595 -12.625 5.156) 14.740 30.788 ( 11.872 1.290 -8.026) 14.388 30.788 ( 11.872 1.290 8.026) 14.388 31.159 ( 7.673 -2.566 -2.511) 8.471 31.159 ( 7.673 -2.566 2.511) 8.471 34.044 ( -0.111 9.290 -5.955) 11.035 34.044 ( -0.111 9.290 5.955) 11.035 34.704 ( 0.397 4.295 -4.853) 6.493 34.704 ( 0.397 4.295 4.853) 6.493 36.747 ( 6.468 -2.413 -4.694) 8.348 36.747 ( 6.468 -2.413 4.694) 8.348 38.001 ( -12.190 -8.011 -1.429) 14.656 38.001 ( -12.190 -8.011 1.429) 14.656 ======================= Grid point 566 (170/200) ======================= q-point: ( 0.44 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.128 0.499 -3.711) 6.349 1.754 ( 5.128 0.499 3.711) 6.349 2.143 ( 7.131 4.605 -7.016) 11.013 2.143 ( 7.131 4.605 7.016) 11.013 2.425 ( -6.132 5.341 -3.754) 8.957 2.425 ( -6.132 5.341 3.754) 8.957 2.477 ( -7.195 0.857 -1.587) 7.417 2.477 ( -7.195 0.857 1.587) 7.417 3.366 ( 9.357 2.290 -15.225) 18.017 3.366 ( 9.357 2.290 15.225) 18.017 3.571 ( -7.781 1.102 -12.424) 14.701 3.571 ( -7.781 1.102 12.424) 14.701 22.647 ( 3.675 -0.498 -19.589) 19.936 22.647 ( 3.675 -0.498 19.589) 19.936 22.778 ( -9.157 -2.190 -22.256) 24.166 22.778 ( -9.157 -2.190 22.256) 24.166 23.683 ( -0.429 -3.679 -1.171) 3.884 23.683 ( -0.429 -3.679 1.171) 3.884 24.492 ( -2.106 -8.225 -2.442) 8.835 24.492 ( -2.106 -8.225 2.442) 8.835 25.924 ( -0.702 1.423 -0.937) 1.843 25.924 ( -0.702 1.423 0.937) 1.843 27.689 ( 1.830 -14.426 -1.862) 14.660 27.689 ( 1.830 -14.426 1.862) 14.660 30.937 ( 3.513 1.217 -2.779) 4.642 30.937 ( 3.513 1.217 2.779) 4.642 31.283 ( 3.673 -2.066 -0.597) 4.256 31.283 ( 3.673 -2.066 0.597) 4.256 34.042 ( -0.049 9.328 -2.029) 9.546 34.042 ( -0.049 9.328 2.029) 9.546 34.710 ( 0.158 4.253 -1.643) 4.562 34.710 ( 0.158 4.253 1.643) 4.562 36.856 ( 3.461 -2.025 -2.099) 4.526 36.856 ( 3.461 -2.025 2.099) 4.526 37.814 ( -5.509 -7.686 -0.301) 9.462 37.814 ( -5.509 -7.686 0.301) 9.462 ======================= Grid point 576 (171/200) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 4.323 -5.512) 7.005 1.589 ( 0.000 4.323 5.512) 7.005 1.862 ( 0.000 9.282 -4.055) 10.129 1.862 ( 0.000 9.282 4.055) 10.129 2.631 ( 0.000 7.961 -13.122) 15.348 2.631 ( 0.000 7.961 13.122) 15.348 3.079 ( 0.000 7.477 -11.954) 14.099 3.079 ( 0.000 7.477 11.954) 14.099 3.246 ( 0.000 4.692 -9.012) 10.160 3.246 ( 0.000 4.692 9.012) 10.160 3.838 ( 0.000 -3.262 -7.218) 7.921 3.838 ( 0.000 -3.262 7.218) 7.921 22.710 ( 0.000 -7.907 -8.497) 11.607 22.710 ( 0.000 -7.907 8.497) 11.607 23.152 ( 0.000 -14.946 -17.919) 23.334 23.152 ( 0.000 -14.946 17.919) 23.334 24.108 ( 0.000 -3.578 -6.167) 7.130 24.108 ( 0.000 -3.578 6.167) 7.130 24.625 ( 0.000 -5.335 -9.730) 11.097 24.625 ( 0.000 -5.335 9.730) 11.097 26.196 ( 0.000 -0.202 -4.619) 4.623 26.196 ( 0.000 -0.202 4.619) 4.623 27.174 ( 0.000 -0.410 -20.239) 20.244 27.174 ( 0.000 -0.410 20.239) 20.244 29.959 ( 0.000 0.828 -16.774) 16.795 29.959 ( 0.000 0.828 16.774) 16.795 30.766 ( 0.000 -6.208 -5.304) 8.166 30.766 ( 0.000 -6.208 5.304) 8.166 34.272 ( 0.000 11.621 -14.439) 18.535 34.272 ( 0.000 11.621 14.439) 18.535 34.816 ( 0.000 7.784 -10.756) 13.277 34.816 ( 0.000 7.784 10.756) 13.277 36.427 ( 0.000 -4.958 -4.747) 6.864 36.427 ( 0.000 -4.958 4.747) 6.864 38.266 ( 0.000 -18.184 -9.361) 20.452 38.266 ( 0.000 -18.184 9.361) 20.452 ======================= Grid point 578 (172/200) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 1.557 4.569 -2.611) 5.488 1.610 ( 1.557 4.569 2.611) 5.488 1.853 ( 0.299 8.762 -3.868) 9.582 1.853 ( 0.299 8.762 3.868) 9.582 2.685 ( 4.369 7.216 -12.088) 14.740 2.685 ( 4.369 7.216 12.088) 14.740 3.061 ( -2.110 6.434 -11.012) 12.927 3.061 ( -2.110 6.434 11.012) 12.927 3.189 ( -4.757 5.438 -4.981) 8.776 3.189 ( -4.757 5.438 4.981) 8.776 3.831 ( -0.855 -2.473 -5.572) 6.156 3.831 ( -0.855 -2.473 5.572) 6.156 22.687 ( -2.069 -6.722 -8.326) 10.899 22.687 ( -2.069 -6.722 8.326) 10.899 23.118 ( -3.488 -14.340 -18.041) 23.308 23.118 ( -3.488 -14.340 18.041) 23.308 24.025 ( -7.745 -2.130 -5.735) 9.870 24.025 ( -7.745 -2.130 5.735) 9.870 24.586 ( -3.750 -6.019 -9.013) 11.469 24.586 ( -3.750 -6.019 9.013) 11.469 26.142 ( -4.686 0.529 -2.523) 5.348 26.142 ( -4.686 0.529 2.523) 5.348 27.187 ( 1.273 -5.845 -16.790) 17.824 27.187 ( 1.273 -5.845 16.790) 17.824 30.131 ( 15.766 1.257 -14.245) 21.285 30.131 ( 15.766 1.257 14.245) 21.285 30.813 ( 4.468 -5.510 -5.072) 8.721 30.813 ( 4.468 -5.510 5.072) 8.721 34.274 ( 0.145 11.760 -13.634) 18.005 34.274 ( 0.145 11.760 13.634) 18.005 34.817 ( 0.044 7.595 -10.128) 12.660 34.817 ( 0.044 7.595 10.128) 12.660 36.458 ( 3.075 -4.866 -4.850) 7.527 36.458 ( 3.075 -4.866 4.850) 7.527 38.192 ( -7.088 -17.333 -7.771) 20.275 38.192 ( -7.088 -17.333 7.771) 20.275 ======================= Grid point 580 (173/200) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 1.101 5.094 -8.556) 10.018 1.633 ( 1.101 5.094 8.556) 10.018 1.921 ( 6.649 7.214 -11.835) 15.373 1.921 ( 6.649 7.214 11.835) 15.373 2.742 ( -0.240 5.050 -9.445) 10.713 2.742 ( -0.240 5.050 9.445) 10.713 2.944 ( -9.797 3.546 -1.206) 10.488 2.944 ( -9.797 3.546 1.206) 10.488 3.156 ( 3.088 8.285 -11.261) 14.318 3.156 ( 3.088 8.285 11.261) 14.318 3.798 ( -2.600 -0.754 -5.288) 5.940 3.798 ( -2.600 -0.754 5.288) 5.940 22.640 ( -2.242 -4.216 -8.399) 9.661 22.640 ( -2.242 -4.216 8.399) 9.661 23.014 ( -6.799 -11.862 -18.277) 22.825 23.014 ( -6.799 -11.862 18.277) 22.825 23.838 ( -9.798 -0.884 -4.233) 10.709 23.838 ( -9.798 -0.884 4.233) 10.709 24.485 ( -6.036 -7.713 -7.358) 12.250 24.485 ( -6.036 -7.713 7.358) 12.250 26.043 ( -4.581 0.449 -0.474) 4.627 26.043 ( -4.581 0.449 0.474) 4.627 27.222 ( 2.046 -14.781 -11.112) 18.605 27.222 ( 2.046 -14.781 11.112) 18.605 30.503 ( 19.236 1.792 -10.796) 22.131 30.503 ( 19.236 1.792 10.796) 22.131 30.934 ( 7.446 -4.089 -4.619) 9.670 30.934 ( 7.446 -4.089 4.619) 9.670 34.277 ( 0.150 12.094 -11.221) 16.499 34.277 ( 0.150 12.094 11.221) 16.499 34.818 ( 0.145 7.160 -8.268) 10.939 34.818 ( 0.145 7.160 8.268) 10.939 36.547 ( 5.725 -4.639 -4.941) 8.872 36.547 ( 5.725 -4.639 4.941) 8.872 38.003 ( -11.243 -15.444 -4.193) 19.558 38.003 ( -11.243 -15.444 4.193) 19.558 ======================= Grid point 582 (174/200) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.391 4.104 -7.183) 9.366 1.684 ( 4.391 4.104 7.183) 9.366 2.090 ( 9.409 6.510 -12.068) 16.630 2.090 ( 9.409 6.510 12.068) 16.630 2.645 ( -9.228 0.407 -7.279) 11.760 2.645 ( -9.228 0.407 7.279) 11.760 2.742 ( -8.874 7.091 -4.637) 12.270 2.742 ( -8.874 7.091 4.637) 12.270 3.279 ( 8.051 7.094 -14.295) 17.875 3.279 ( 8.051 7.094 14.295) 17.875 3.725 ( -4.712 1.213 -8.088) 9.438 3.725 ( -4.712 1.213 8.088) 9.438 22.609 ( -0.692 -2.415 -10.075) 10.384 22.609 ( -0.692 -2.415 10.075) 10.384 22.860 ( -7.999 -7.271 -17.974) 20.974 22.860 ( -7.999 -7.271 17.974) 20.974 23.672 ( -6.325 -2.692 -2.475) 7.306 23.672 ( -6.325 -2.692 2.475) 7.306 24.364 ( -5.657 -9.816 -5.059) 12.408 24.364 ( -5.657 -9.816 5.059) 12.408 25.972 ( -2.590 -0.268 -1.402) 2.957 25.972 ( -2.590 -0.268 1.402) 2.957 27.261 ( 1.745 -20.831 -6.437) 21.873 27.261 ( 1.745 -20.831 6.437) 21.873 30.827 ( 12.168 2.396 -7.963) 14.738 30.827 ( 12.168 2.396 7.963) 14.738 31.097 ( 8.351 -3.179 -3.773) 9.699 31.097 ( 8.351 -3.179 3.773) 9.699 34.279 ( 0.053 12.438 -7.366) 14.456 34.279 ( 0.053 12.438 7.366) 14.456 34.822 ( 0.210 6.746 -5.368) 8.624 34.822 ( 0.210 6.746 5.368) 8.624 36.677 ( 6.917 -4.312 -4.395) 9.261 36.677 ( 6.917 -4.312 4.395) 9.261 37.772 ( -11.204 -13.775 -0.940) 17.781 37.772 ( -11.204 -13.775 0.940) 17.781 ======================= Grid point 584 (175/200) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 4.245 2.733 -3.020) 5.884 1.786 ( 4.245 2.733 3.020) 5.884 2.255 ( 5.342 5.529 -6.683) 10.187 2.255 ( 5.342 5.529 6.683) 10.187 2.475 ( -4.243 0.903 -4.061) 5.942 2.475 ( -4.243 0.903 4.061) 5.942 2.582 ( -7.015 7.372 -6.841) 12.262 2.582 ( -7.015 7.372 6.841) 12.262 3.442 ( 7.517 5.181 -11.962) 15.048 3.442 ( 7.517 5.181 11.962) 15.048 3.614 ( -6.048 3.244 -9.796) 11.961 3.614 ( -6.048 3.244 9.796) 11.961 22.617 ( 1.294 -3.132 -10.756) 11.277 22.617 ( 1.294 -3.132 10.756) 11.277 22.724 ( -4.884 -2.388 -13.756) 14.791 22.724 ( -4.884 -2.388 13.756) 14.791 23.591 ( -1.954 -4.851 -0.867) 5.301 23.591 ( -1.954 -4.851 0.867) 5.301 24.280 ( -2.338 -11.337 -1.859) 11.724 24.280 ( -2.338 -11.337 1.859) 11.724 25.938 ( -0.792 -0.572 -0.662) 1.180 25.938 ( -0.792 -0.572 0.662) 1.180 27.286 ( 0.667 -23.578 -2.153) 23.686 27.286 ( 0.667 -23.578 2.153) 23.686 30.980 ( 3.566 2.808 -2.747) 5.306 30.980 ( 3.566 2.808 2.747) 5.306 31.230 ( 3.956 -2.789 -1.255) 5.000 31.230 ( 3.956 -2.789 1.255) 5.000 34.279 ( -0.000 12.637 -2.560) 12.894 34.279 ( -0.000 12.637 2.560) 12.894 34.826 ( 0.105 6.526 -1.849) 6.784 34.826 ( 0.105 6.526 1.849) 6.784 36.795 ( 3.864 -3.835 -2.064) 5.822 36.795 ( 3.864 -3.835 2.064) 5.822 37.594 ( -5.423 -13.150 -0.446) 14.231 37.594 ( -5.423 -13.150 0.446) 14.231 ======================= Grid point 594 (176/200) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 0.000 6.099 -8.299) 10.299 1.698 ( 0.000 6.099 8.299) 10.299 2.050 ( 0.000 8.922 -4.495) 9.990 2.050 ( 0.000 8.922 4.495) 9.990 2.837 ( 0.000 10.795 -7.494) 13.141 2.837 ( 0.000 10.795 7.494) 13.141 3.107 ( 0.000 -0.690 -13.753) 13.770 3.107 ( 0.000 -0.690 13.753) 13.770 3.473 ( 0.000 13.115 -5.464) 14.207 3.473 ( 0.000 13.115 5.464) 14.207 3.764 ( 0.000 -3.326 -6.220) 7.053 3.764 ( 0.000 -3.326 6.220) 7.053 22.439 ( 0.000 -16.384 -7.051) 17.837 22.439 ( 0.000 -16.384 7.051) 17.837 22.958 ( 0.000 -5.239 -10.513) 11.746 22.958 ( 0.000 -5.239 10.513) 11.746 23.976 ( 0.000 -8.074 -2.692) 8.511 23.976 ( 0.000 -8.074 2.692) 8.511 24.594 ( 0.000 1.672 -10.150) 10.286 24.594 ( 0.000 1.672 10.150) 10.286 26.145 ( 0.000 -4.931 -2.912) 5.726 26.145 ( 0.000 -4.931 2.912) 5.726 27.129 ( 0.000 -3.708 -25.845) 26.110 27.129 ( 0.000 -3.708 25.845) 26.110 29.981 ( 0.000 0.938 -12.867) 12.901 29.981 ( 0.000 0.938 12.867) 12.901 30.642 ( 0.000 -5.444 -3.802) 6.640 30.642 ( 0.000 -5.444 3.802) 6.640 34.488 ( 0.000 8.737 -14.506) 16.934 34.488 ( 0.000 8.737 14.506) 16.934 34.994 ( 0.000 9.225 -10.444) 13.935 34.994 ( 0.000 9.225 10.444) 13.935 36.320 ( 0.000 -5.134 -3.746) 6.355 36.320 ( 0.000 -5.134 3.746) 6.355 37.854 ( 0.000 -21.194 -6.028) 22.034 37.854 ( 0.000 -21.194 6.028) 22.034 ======================= Grid point 596 (177/200) ======================= q-point: ( 0.11 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.161 6.295 -5.267) 8.488 1.724 ( 2.161 6.295 5.267) 8.488 2.030 ( -1.017 8.340 -4.058) 9.331 2.030 ( -1.017 8.340 4.058) 9.331 2.860 ( 1.009 8.000 -7.417) 10.956 2.860 ( 1.009 8.000 7.417) 10.956 3.094 ( -1.116 1.569 -11.246) 11.410 3.094 ( -1.116 1.569 11.246) 11.410 3.405 ( -5.388 10.662 -4.477) 12.758 3.405 ( -5.388 10.662 4.477) 12.758 3.790 ( 1.702 -0.540 -4.098) 4.470 3.790 ( 1.702 -0.540 4.098) 4.470 22.443 ( 0.426 -15.241 -7.591) 17.032 22.443 ( 0.426 -15.241 7.591) 17.032 22.932 ( -2.510 -4.823 -10.148) 11.513 22.932 ( -2.510 -4.823 10.148) 11.513 23.908 ( -6.470 -8.023 -2.315) 10.564 23.908 ( -6.470 -8.023 2.316) 10.564 24.550 ( -4.443 1.966 -10.121) 11.227 24.550 ( -4.443 1.966 10.121) 11.227 26.107 ( -3.702 -4.162 -2.265) 6.013 26.107 ( -3.702 -4.162 2.265) 6.013 27.034 ( -7.935 -8.653 -21.507) 24.503 27.034 ( -7.935 -8.653 21.507) 24.503 30.159 ( 16.225 1.211 -10.599) 19.418 30.159 ( 16.225 1.211 10.599) 19.418 30.704 ( 5.980 -4.614 -3.697) 8.409 30.704 ( 5.980 -4.614 3.697) 8.409 34.494 ( 0.529 8.986 -13.974) 16.622 34.494 ( 0.529 8.986 13.974) 16.622 34.989 ( -0.486 8.871 -10.072) 13.430 34.989 ( -0.486 8.871 10.072) 13.430 36.352 ( 3.204 -5.095 -3.956) 7.202 36.352 ( 3.204 -5.095 3.956) 7.202 37.798 ( -5.437 -20.352 -5.128) 21.681 37.798 ( -5.437 -20.352 5.128) 21.681 ======================= Grid point 598 (178/200) ======================= q-point: ( 0.22 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 1.097 6.925 -3.992) 8.069 1.758 ( 1.097 6.925 3.992) 8.069 2.063 ( 4.980 6.338 -10.863) 13.527 2.063 ( 4.980 6.338 10.863) 13.527 2.815 ( -6.115 1.336 -7.233) 9.565 2.815 ( -6.115 1.336 7.233) 9.565 3.044 ( -5.311 6.779 -1.958) 8.832 3.044 ( -5.311 6.779 1.958) 8.832 3.347 ( 1.590 8.766 -9.129) 12.756 3.347 ( 1.590 8.766 9.129) 12.756 3.808 ( -0.092 2.558 -3.671) 4.475 3.808 ( -0.092 2.558 3.671) 4.475 22.457 ( 1.031 -12.420 -8.138) 14.884 22.457 ( 1.031 -12.420 8.138) 14.884 22.862 ( -4.374 -3.616 -9.084) 10.711 22.862 ( -4.374 -3.615 9.084) 10.711 23.744 ( -9.084 -7.511 -1.675) 11.906 23.744 ( -9.084 -7.511 1.675) 11.906 24.417 ( -8.769 1.189 -9.450) 12.946 24.417 ( -8.769 1.189 9.450) 12.946 26.011 ( -5.203 -3.735 -2.086) 6.736 26.011 ( -5.203 -3.735 2.086) 6.736 26.882 ( -6.210 -17.666 -13.623) 23.157 26.882 ( -6.210 -17.666 13.623) 23.157 30.538 ( 19.614 1.428 -8.179) 21.299 30.538 ( 19.614 1.428 8.179) 21.299 30.860 ( 8.976 -2.941 -3.818) 10.189 30.860 ( 8.976 -2.941 3.818) 10.189 34.507 ( 0.766 9.680 -12.124) 15.534 34.507 ( 0.766 9.680 12.124) 15.534 34.977 ( -0.623 7.971 -8.777) 11.873 34.977 ( -0.623 7.971 8.777) 11.873 36.444 ( 5.867 -5.074 -4.287) 8.863 36.444 ( 5.867 -5.074 4.287) 8.863 37.649 ( -9.042 -18.335 -3.069) 20.673 37.649 ( -9.042 -18.335 3.069) 20.673 ======================= Grid point 600 (179/200) ======================= q-point: ( 0.33 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.904 6.224 -4.542) 8.234 1.793 ( 2.904 6.224 4.542) 8.234 2.210 ( 8.751 4.860 -12.740) 16.202 2.210 ( 8.751 4.860 12.740) 16.202 2.641 ( -10.077 -0.243 -4.446) 11.017 2.641 ( -10.077 -0.243 4.446) 11.017 2.892 ( -8.910 6.278 -6.746) 12.818 2.892 ( -8.910 6.278 6.746) 12.818 3.446 ( 6.762 8.698 -10.216) 15.025 3.446 ( 6.762 8.698 10.216) 15.025 3.782 ( -2.482 4.769 -5.358) 7.590 3.782 ( -2.482 4.769 5.358) 7.590 22.483 ( 1.406 -9.200 -7.212) 11.775 22.483 ( 1.406 -9.200 7.212) 11.775 22.769 ( -4.596 -1.870 -7.459) 8.959 22.769 ( -4.596 -1.870 7.459) 8.959 23.580 ( -6.652 -6.216 -1.162) 9.178 23.580 ( -6.652 -6.216 1.162) 9.178 24.221 ( -9.899 -3.189 -7.051) 12.565 24.221 ( -9.899 -3.189 7.051) 12.565 25.924 ( -3.191 -4.454 -2.292) 5.940 25.924 ( -3.191 -4.454 2.292) 5.940 26.796 ( -2.643 -23.537 -7.220) 24.761 26.796 ( -2.643 -23.537 7.220) 24.761 30.876 ( 13.110 2.044 -7.059) 15.029 30.876 ( 13.110 2.044 7.059) 15.029 31.040 ( 8.635 -2.144 -4.502) 9.971 31.040 ( 8.635 -2.144 4.502) 9.971 34.521 ( 0.611 10.578 -8.472) 13.566 34.521 ( 0.611 10.578 8.472) 13.566 34.966 ( -0.411 6.936 -6.172) 9.294 34.966 ( -0.411 6.936 6.172) 9.294 36.577 ( 7.139 -5.142 -4.059) 9.689 36.577 ( 7.139 -5.142 4.059) 9.689 37.457 ( -9.693 -16.248 -1.505) 18.979 37.457 ( -9.693 -16.248 1.505) 18.979 ======================= Grid point 602 (180/200) ======================= q-point: ( 0.44 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 3.290 4.939 -2.031) 6.272 1.866 ( 3.289 4.939 2.031) 6.272 2.344 ( 1.526 2.742 -4.039) 5.115 2.344 ( 1.526 2.742 4.039) 5.115 2.505 ( 0.316 2.097 -4.160) 4.669 2.505 ( 0.316 2.097 4.160) 4.669 2.714 ( -7.970 4.849 -8.276) 12.471 2.714 ( -7.970 4.849 8.276) 12.471 3.579 ( 5.823 7.928 -7.879) 12.603 3.579 ( 5.823 7.928 7.879) 12.603 3.713 ( -4.076 6.482 -6.233) 9.873 3.713 ( -4.076 6.482 6.233) 9.873 22.507 ( 0.842 -6.893 -3.489) 7.771 22.507 ( 0.842 -6.893 3.489) 7.771 22.696 ( -2.198 -0.620 -3.687) 4.337 22.696 ( -2.198 -0.620 3.687) 4.337 23.493 ( -2.085 -4.450 -0.489) 4.939 23.493 ( -2.085 -4.450 0.489) 4.939 24.066 ( -4.548 -8.654 -2.705) 10.144 24.066 ( -4.548 -8.654 2.705) 10.144 25.885 ( -0.881 -4.699 -0.965) 4.877 25.885 ( -0.881 -4.699 0.965) 4.877 26.765 ( -0.659 -25.991 -2.281) 26.099 26.765 ( -0.659 -25.991 2.281) 26.099 31.043 ( 3.902 2.962 -2.703) 5.595 31.043 ( 3.902 2.962 2.703) 5.595 31.176 ( 4.039 -2.354 -1.954) 5.067 31.176 ( 4.039 -2.354 1.954) 5.067 34.530 ( 0.220 11.221 -3.067) 11.635 34.530 ( 0.220 11.221 3.067) 11.635 34.961 ( -0.123 6.255 -2.243) 6.646 34.961 ( -0.123 6.255 2.243) 6.646 36.702 ( 4.259 -5.020 -2.069) 6.901 36.702 ( 4.259 -5.020 2.069) 6.901 37.296 ( -5.207 -15.205 -0.948) 16.100 37.296 ( -5.207 -15.205 0.948) 16.100 ======================= Grid point 612 (181/200) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 6.831 -9.402) 11.621 1.833 ( 0.000 6.831 9.402) 11.621 2.227 ( 0.000 8.179 -5.310) 9.751 2.227 ( 0.000 8.179 5.310) 9.751 2.968 ( 0.000 0.269 -7.021) 7.026 2.968 ( 0.000 0.269 7.021) 7.026 3.184 ( 0.000 9.362 -7.659) 12.095 3.184 ( 0.000 9.362 7.659) 12.095 3.599 ( 0.000 -2.987 -6.177) 6.861 3.599 ( 0.000 -2.987 6.177) 6.861 3.826 ( 0.000 10.985 -3.886) 11.652 3.826 ( 0.000 10.985 3.886) 11.652 22.117 ( 0.000 -13.852 -12.516) 18.669 22.117 ( 0.000 -13.852 12.516) 18.669 22.872 ( 0.000 -3.758 -6.666) 7.652 22.872 ( 0.000 -3.758 6.666) 7.652 23.815 ( 0.000 -6.973 -0.907) 7.032 23.815 ( 0.000 -6.973 0.907) 7.032 24.664 ( 0.000 4.590 -9.007) 10.109 24.664 ( 0.000 4.590 9.007) 10.109 26.002 ( 0.000 -8.425 -0.867) 8.469 26.002 ( 0.000 -8.425 0.867) 8.469 27.035 ( 0.000 -5.109 -26.157) 26.652 27.035 ( 0.000 -5.109 26.157) 26.652 29.982 ( 0.000 -1.132 -9.894) 9.958 29.982 ( 0.000 -1.132 9.894) 9.958 30.561 ( 0.000 -2.041 -2.366) 3.125 30.561 ( 0.000 -2.041 2.366) 3.125 34.622 ( 0.000 4.289 -12.350) 13.073 34.622 ( 0.000 4.289 12.350) 13.073 35.184 ( 0.000 8.935 -9.413) 12.978 35.184 ( 0.000 8.935 9.413) 12.978 36.228 ( 0.000 -3.494 -2.969) 4.585 36.228 ( 0.000 -3.494 2.969) 4.585 37.415 ( 0.000 -20.962 -4.031) 21.346 37.415 ( 0.000 -20.962 4.031) 21.346 ======================= Grid point 614 (182/200) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.552 6.873 -7.755) 10.672 1.862 ( 2.552 6.873 7.755) 10.672 2.194 ( -2.512 7.487 -4.963) 9.328 2.194 ( -2.512 7.487 4.963) 9.328 2.932 ( -3.716 -0.317 -6.635) 7.612 2.932 ( -3.716 -0.317 6.635) 7.612 3.221 ( 2.371 9.345 -5.378) 11.040 3.221 ( 2.371 9.345 5.378) 11.040 3.514 ( -5.815 -0.207 -3.169) 6.626 3.514 ( -5.815 -0.207 3.169) 6.626 3.876 ( 3.307 8.910 -2.514) 9.831 3.876 ( 3.307 8.910 2.514) 9.831 22.140 ( 2.212 -13.161 -12.428) 18.236 22.140 ( 2.212 -13.161 12.428) 18.236 22.855 ( -1.764 -3.479 -6.562) 7.634 22.855 ( -1.764 -3.479 6.562) 7.634 23.744 ( -6.707 -7.190 -2.260) 10.089 23.744 ( -6.707 -7.190 2.260) 10.089 24.634 ( -3.336 5.553 -9.813) 11.759 24.634 ( -3.336 5.553 9.813) 11.759 25.978 ( -2.590 -7.909 -2.175) 8.602 25.978 ( -2.590 -7.909 2.175) 8.602 26.845 ( -16.455 -9.372 -21.680) 28.786 26.845 ( -16.455 -9.372 21.680) 28.786 30.168 ( 16.721 -0.605 -7.724) 18.429 30.168 ( 16.721 -0.605 7.724) 18.429 30.637 ( 7.205 -1.647 -2.267) 7.731 30.637 ( 7.205 -1.647 2.267) 7.731 34.633 ( 1.120 4.594 -12.135) 13.024 34.633 ( 1.120 4.594 12.135) 13.024 35.171 ( -1.308 8.487 -9.249) 12.621 35.171 ( -1.308 8.487 9.249) 12.621 36.260 ( 3.170 -3.544 -3.258) 5.764 36.260 ( 3.170 -3.544 3.258) 5.764 37.376 ( -3.827 -20.164 -3.631) 20.843 37.376 ( -3.827 -20.164 3.631) 20.843 ======================= Grid point 616 (183/200) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.487 7.457 -2.113) 7.892 1.909 ( 1.487 7.457 2.113) 7.892 2.180 ( 2.362 5.024 -8.956) 10.538 2.180 ( 2.362 5.024 8.956) 10.538 2.818 ( -7.551 -0.309 -4.463) 8.777 2.818 ( -7.551 -0.309 4.463) 8.777 3.171 ( -8.094 3.831 -3.294) 9.541 3.171 ( -8.094 3.831 3.294) 9.541 3.495 ( 4.727 6.440 -5.584) 9.746 3.495 ( 4.727 6.440 5.584) 9.746 3.923 ( 1.227 8.171 -2.527) 8.640 3.923 ( 1.227 8.171 2.527) 8.640 22.202 ( 3.909 -11.287 -11.831) 16.812 22.202 ( 3.909 -11.287 11.831) 16.812 22.805 ( -3.082 -2.741 -6.205) 7.451 22.805 ( -3.082 -2.741 6.205) 7.451 23.581 ( -8.581 -7.301 -3.389) 11.765 23.581 ( -8.581 -7.301 3.389) 11.765 24.507 ( -10.086 6.867 -11.186) 16.553 24.507 ( -10.086 6.867 11.186) 16.553 25.894 ( -5.594 -7.375 -3.960) 10.068 25.894 ( -5.594 -7.375 3.960) 10.068 26.513 ( -14.101 -17.828 -13.279) 26.325 26.513 ( -14.101 -17.828 13.279) 26.325 30.553 ( 19.781 -0.130 -5.724) 20.592 30.553 ( 19.781 -0.130 5.724) 20.592 30.820 ( 10.256 -0.827 -2.307) 10.545 30.820 ( 10.256 -0.827 2.307) 10.545 34.664 ( 1.883 5.520 -11.240) 12.663 34.664 ( 1.883 5.520 11.240) 12.663 35.136 ( -1.977 7.277 -8.656) 11.480 35.136 ( -1.977 7.277 8.656) 11.480 36.349 ( 5.605 -3.833 -3.730) 7.747 36.349 ( 5.605 -3.833 3.730) 7.747 37.269 ( -6.623 -18.111 -2.784) 19.484 37.269 ( -6.623 -18.111 2.784) 19.484 ======================= Grid point 618 (184/200) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 1.672 7.110 -1.755) 7.512 1.932 ( 1.672 7.110 1.755) 7.512 2.286 ( 7.125 2.613 -12.188) 14.358 2.286 ( 7.125 2.613 12.188) 14.358 2.644 ( -9.080 0.640 -2.693) 9.493 2.644 ( -9.080 0.640 2.693) 9.493 2.973 ( -10.561 1.390 -8.495) 13.624 2.973 ( -10.561 1.390 8.495) 13.624 3.626 ( 7.161 8.712 -5.988) 12.769 3.626 ( 7.161 8.712 5.988) 12.769 3.922 ( -1.374 8.263 -3.280) 8.996 3.922 ( -1.374 8.263 3.280) 8.996 22.288 ( 4.426 -8.746 -9.843) 13.891 22.288 ( 4.426 -8.746 9.843) 13.891 22.738 ( -3.439 -1.844 -5.615) 6.838 22.738 ( -3.439 -1.844 5.615) 6.838 23.443 ( -4.348 -6.192 -3.307) 8.257 23.443 ( -4.348 -6.192 3.307) 8.257 24.231 ( -16.440 3.663 -10.006) 19.591 24.231 ( -16.440 3.663 10.006) 19.591 25.791 ( -3.753 -8.299 -3.797) 9.868 25.791 ( -3.753 -8.299 3.797) 9.868 26.320 ( -5.842 -22.114 -6.526) 23.786 26.320 ( -5.842 -22.114 6.526) 23.786 30.900 ( 14.065 0.121 -5.316) 15.037 30.900 ( 14.065 0.121 5.316) 15.037 31.014 ( 8.457 -0.404 -3.280) 9.080 31.014 ( 8.457 -0.404 3.280) 9.080 34.703 ( 1.883 6.975 -8.794) 11.381 34.703 ( 1.883 6.975 8.794) 11.381 35.097 ( -1.797 5.609 -6.962) 9.119 35.097 ( -1.797 5.609 6.962) 9.119 36.475 ( 6.730 -4.486 -3.718) 8.902 36.475 ( 6.730 -4.486 3.718) 8.902 37.124 ( -7.610 -15.644 -2.258) 17.543 37.124 ( -7.610 -15.644 2.258) 17.543 ======================= Grid point 620 (185/200) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.475 6.099 -1.132) 6.679 1.982 ( 2.475 6.099 1.132) 6.679 2.376 ( -0.793 0.730 -4.629) 4.753 2.376 ( -0.793 0.730 4.629) 4.753 2.551 ( 2.820 2.028 -7.543) 8.305 2.551 ( 2.820 2.028 7.543) 8.305 2.773 ( -8.568 1.019 -9.541) 12.864 2.773 ( -8.568 1.019 9.541) 12.864 3.757 ( 5.451 9.021 -4.684) 11.534 3.757 ( 5.451 9.021 4.684) 11.534 3.872 ( -3.340 8.460 -3.735) 9.833 3.872 ( -3.340 8.460 3.735) 9.833 22.363 ( 2.482 -6.465 -4.595) 8.310 22.363 ( 2.482 -6.465 4.595) 8.310 22.678 ( -2.112 -1.655 -3.053) 4.064 22.678 ( -2.112 -1.655 3.053) 4.064 23.419 ( 1.094 -2.341 -2.042) 3.293 23.419 ( 1.094 -2.341 2.042) 3.293 23.937 ( -10.152 -3.962 -4.758) 11.891 23.937 ( -10.152 -3.962 4.758) 11.891 25.750 ( -0.703 -8.068 -1.394) 8.218 25.750 ( -0.703 -8.068 1.394) 8.218 26.251 ( -1.575 -23.348 -2.040) 23.489 26.251 ( -1.575 -23.348 2.040) 23.489 31.090 ( 4.708 1.314 -3.446) 5.980 31.090 ( 4.708 1.314 3.446) 5.980 31.137 ( 3.469 -1.377 -2.895) 4.723 31.137 ( 3.469 -1.377 2.895) 4.723 34.732 ( 0.829 8.329 -3.555) 9.094 34.732 ( 0.829 8.329 3.555) 9.094 35.071 ( -0.755 4.165 -2.890) 5.126 35.071 ( -0.755 4.165 2.890) 5.126 36.596 ( 4.317 -5.058 -2.104) 6.975 36.596 ( 4.317 -5.058 2.104) 6.975 36.990 ( -4.656 -13.983 -1.451) 14.809 36.990 ( -4.656 -13.983 1.451) 14.809 ======================= Grid point 630 (186/200) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 6.185 -8.045) 10.147 1.970 ( 0.000 6.185 8.045) 10.147 2.383 ( 0.000 6.798 -5.219) 8.571 2.383 ( 0.000 6.798 5.219) 8.571 2.937 ( 0.000 -1.975 -6.011) 6.327 2.937 ( 0.000 -1.975 6.011) 6.327 3.384 ( 0.000 7.834 -2.789) 8.315 3.384 ( 0.000 7.834 2.789) 8.315 3.507 ( 0.000 -3.909 -5.125) 6.446 3.507 ( 0.000 -3.909 5.125) 6.446 4.057 ( 0.000 10.073 -2.931) 10.491 4.057 ( 0.000 10.073 2.931) 10.491 21.885 ( 0.000 -8.646 -10.739) 13.787 21.885 ( 0.000 -8.646 10.739) 13.787 22.796 ( 0.000 -3.604 -4.881) 6.067 22.796 ( 0.000 -3.604 4.881) 6.068 23.698 ( 0.000 -4.346 -0.174) 4.349 23.698 ( 0.000 -4.346 0.174) 4.349 24.766 ( 0.000 5.009 -6.718) 8.380 24.766 ( 0.000 5.009 6.718) 8.380 25.822 ( 0.000 -8.436 -3.249) 9.040 25.822 ( 0.000 -8.436 3.249) 9.040 26.929 ( 0.000 -4.941 -20.893) 21.469 26.929 ( 0.000 -4.941 20.893) 21.469 29.934 ( 0.000 -3.125 -6.878) 7.555 29.934 ( 0.000 -3.125 6.878) 7.555 30.556 ( 0.000 1.120 -1.522) 1.889 30.556 ( 0.000 1.120 1.522) 1.889 34.674 ( 0.000 1.131 -8.778) 8.851 34.674 ( 0.000 1.131 8.778) 8.851 35.351 ( 0.000 7.004 -7.304) 10.120 35.351 ( 0.000 7.004 7.304) 10.120 36.185 ( 0.000 -0.430 -2.503) 2.540 36.185 ( 0.000 -0.430 2.503) 2.540 37.007 ( 0.000 -18.342 -2.980) 18.582 37.007 ( 0.000 -18.342 2.980) 18.582 ======================= Grid point 632 (187/200) ======================= q-point: ( 0.11 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 2.659 6.126 -7.544) 10.075 1.999 ( 2.659 6.126 7.544) 10.075 2.334 ( -4.126 6.003 -5.372) 9.051 2.334 ( -4.126 6.003 5.372) 9.051 2.910 ( -2.899 -1.133 -4.734) 5.666 2.910 ( -2.899 -1.133 4.734) 5.666 3.358 ( -5.607 0.668 -1.462) 5.833 3.358 ( -5.607 0.668 1.462) 5.833 3.511 ( 3.545 3.612 -1.376) 5.244 3.511 ( 3.545 3.612 1.376) 5.244 4.078 ( 1.638 9.318 -2.505) 9.787 4.078 ( 1.638 9.318 2.505) 9.787 21.919 ( 3.318 -8.225 -10.536) 13.772 21.919 ( 3.318 -8.225 10.536) 13.772 22.780 ( -1.512 -3.628 -4.836) 6.232 22.780 ( -1.512 -3.628 4.836) 6.232 23.626 ( -6.757 -4.225 -2.621) 8.390 23.626 ( -6.757 -4.225 2.621) 8.390 24.760 ( -1.057 6.316 -7.863) 10.141 24.760 ( -1.057 6.316 7.863) 10.141 25.805 ( -1.948 -8.277 -3.636) 9.247 25.805 ( -1.948 -8.277 3.636) 9.247 26.659 ( -23.893 -8.438 -17.172) 30.609 26.659 ( -23.893 -8.438 17.172) 30.609 30.135 ( 17.712 -2.389 -5.288) 18.639 30.135 ( 17.712 -2.389 5.288) 18.639 30.634 ( 7.422 1.016 -1.414) 7.624 30.634 ( 7.422 1.016 1.414) 7.624 34.692 ( 1.725 1.395 -8.731) 9.008 34.692 ( 1.725 1.395 8.731) 9.008 35.328 ( -2.201 6.578 -7.226) 10.016 35.328 ( -2.201 6.578 7.226) 10.016 36.216 ( 2.929 -0.583 -2.763) 4.069 36.216 ( 2.929 -0.583 2.763) 4.069 36.984 ( -2.265 -17.580 -2.876) 17.957 36.984 ( -2.265 -17.580 2.876) 17.957 ======================= Grid point 634 (188/200) ======================= q-point: ( 0.22 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 2.249 6.625 -4.481) 8.308 2.056 ( 2.249 6.625 4.481) 8.308 2.268 ( -0.928 3.493 -7.582) 8.399 2.268 ( -0.928 3.493 7.582) 8.399 2.818 ( -6.299 0.466 -2.224) 6.697 2.818 ( -6.299 0.466 2.224) 6.697 3.177 ( -10.942 -2.518 -4.774) 12.201 3.177 ( -10.942 -2.518 4.774) 12.201 3.638 ( 7.831 7.042 -2.758) 10.887 3.638 ( 7.831 7.042 2.758) 10.887 4.103 ( 0.599 8.377 -2.143) 8.667 4.103 ( 0.599 8.377 2.143) 8.667 22.012 ( 5.889 -7.014 -9.760) 13.384 22.012 ( 5.889 -7.014 9.760) 13.384 22.738 ( -2.658 -3.718 -4.691) 6.549 22.738 ( -2.658 -3.718 4.691) 6.549 23.466 ( -8.101 -3.730 -3.991) 9.770 23.466 ( -8.101 -3.730 3.991) 9.770 24.681 ( -8.753 9.734 -10.752) 16.940 24.681 ( -8.753 9.734 10.752) 16.940 25.725 ( -6.701 -8.614 -5.136) 12.062 25.725 ( -6.701 -8.614 5.136) 12.062 26.161 ( -20.882 -15.950 -10.031) 28.127 26.161 ( -20.882 -15.950 10.031) 28.127 30.533 ( 20.190 -1.539 -4.132) 20.666 30.533 ( 20.190 -1.539 4.132) 20.666 30.822 ( 10.449 0.746 -1.232) 10.548 30.822 ( 10.449 0.746 1.232) 10.548 34.741 ( 3.129 2.208 -8.488) 9.312 34.741 ( 3.129 2.208 8.488) 9.312 35.269 ( -3.544 5.429 -7.051) 9.579 35.269 ( -3.544 5.429 7.051) 9.579 36.296 ( 4.887 -1.190 -3.144) 5.931 36.296 ( 4.887 -1.190 3.144) 5.931 36.920 ( -4.055 -15.528 -2.655) 16.267 36.920 ( -4.055 -15.528 2.655) 16.267 ======================= Grid point 636 (189/200) ======================= q-point: ( 0.33 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.727 6.667 -0.975) 6.777 2.076 ( 0.727 6.667 0.975) 6.777 2.322 ( 5.080 0.935 -10.642) 11.829 2.322 ( 5.080 0.935 10.642) 11.829 2.669 ( -7.913 1.753 -4.239) 9.146 2.669 ( -7.913 1.753 4.239) 9.146 2.957 ( -10.699 -2.598 -8.995) 14.218 2.957 ( -10.699 -2.598 8.995) 14.218 3.796 ( 7.663 7.462 -2.972) 11.102 3.796 ( 7.663 7.462 2.972) 11.102 4.094 ( -1.557 7.860 -2.197) 8.308 4.094 ( -1.557 7.860 2.197) 8.308 22.143 ( 6.839 -5.153 -7.958) 11.690 22.143 ( 6.839 -5.153 7.958) 11.690 22.679 ( -3.210 -3.883 -4.469) 6.735 22.679 ( -3.210 -3.883 4.469) 6.735 23.351 ( -2.185 -2.542 -3.870) 5.119 23.351 ( -2.185 -2.542 3.870) 5.119 24.355 ( -22.991 7.988 -10.536) 26.522 24.355 ( -22.991 7.988 10.536) 26.522 25.589 ( -4.071 -11.297 -4.906) 12.971 25.589 ( -4.071 -11.297 4.906) 12.971 25.910 ( -6.542 -16.901 -4.900) 18.774 25.910 ( -6.542 -16.901 4.900) 18.774 30.886 ( 14.358 -1.197 -3.749) 14.888 30.886 ( 14.358 -1.197 3.749) 14.888 31.016 ( 8.224 0.353 -1.521) 8.371 31.016 ( 8.224 0.353 1.521) 8.371 34.811 ( 3.697 3.647 -7.552) 9.166 34.811 ( 3.697 3.647 7.552) 9.166 35.194 ( -3.811 3.695 -6.490) 8.385 35.194 ( -3.811 3.695 6.490) 8.385 36.402 ( 5.595 -2.372 -3.145) 6.843 36.402 ( 5.595 -2.372 3.145) 6.843 36.828 ( -4.981 -12.823 -2.454) 13.974 36.828 ( -4.981 -12.823 2.454) 13.974 ======================= Grid point 638 (190/200) ======================= q-point: ( 0.44 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 2.022 6.065 -1.005) 6.472 2.109 ( 2.022 6.065 1.005) 6.472 2.384 ( -0.681 0.136 -4.981) 5.030 2.384 ( -0.681 0.136 4.981) 5.030 2.584 ( 1.738 1.254 -7.135) 7.450 2.584 ( 1.738 1.254 7.135) 7.450 2.765 ( -7.906 -1.609 -9.378) 12.371 2.765 ( -7.906 -1.609 9.378) 12.371 3.933 ( 5.804 7.701 -2.628) 9.995 3.933 ( 5.804 7.701 2.628) 9.995 4.041 ( -3.639 7.514 -2.321) 8.665 4.041 ( -3.639 7.514 2.321) 8.665 22.262 ( 4.102 -3.045 -3.866) 6.406 22.262 ( 4.102 -3.045 3.866) 6.406 22.614 ( -2.658 -4.572 -2.697) 5.936 22.614 ( -2.658 -4.572 2.697) 5.936 23.407 ( 6.811 1.086 -2.867) 7.469 23.407 ( 6.811 1.086 2.867) 7.469 23.896 ( -18.541 -0.235 -5.550) 19.355 23.896 ( -18.541 -0.235 5.550) 19.355 25.570 ( 0.607 -9.044 -1.691) 9.221 25.570 ( 0.607 -9.044 1.691) 9.221 25.826 ( -2.314 -17.432 -1.993) 17.698 25.826 ( -2.314 -17.432 1.993) 17.698 31.089 ( 5.903 -0.917 -3.105) 6.733 31.089 ( 5.903 -0.917 3.105) 6.733 31.125 ( 2.234 -0.140 -2.303) 3.212 31.125 ( 2.234 -0.140 2.303) 3.212 34.875 ( 2.140 5.618 -3.889) 7.160 34.875 ( 2.140 5.618 3.889) 7.160 35.129 ( -2.129 1.565 -3.497) 4.383 35.129 ( -2.129 1.565 3.497) 4.383 36.503 ( 3.760 -3.676 -1.955) 5.610 36.503 ( 3.760 -3.676 1.955) 5.610 36.735 ( -3.537 -10.577 -1.637) 11.272 36.735 ( -3.537 -10.577 1.637) 11.272 ======================= Grid point 648 (191/200) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 3.768 -4.637) 5.975 2.076 ( 0.000 3.768 4.637) 5.975 2.499 ( 0.000 4.192 -3.421) 5.411 2.499 ( 0.000 4.192 3.421) 5.411 2.904 ( 0.000 -1.134 -3.087) 3.288 2.904 ( 0.000 -1.134 3.087) 3.288 3.382 ( 0.000 -3.579 -2.412) 4.316 3.382 ( 0.000 -3.579 2.412) 4.316 3.560 ( 0.000 4.751 -1.632) 5.024 3.560 ( 0.000 4.751 1.632) 5.024 4.220 ( 0.000 5.523 -1.586) 5.746 4.220 ( 0.000 5.523 1.586) 5.746 21.758 ( 0.000 -3.847 -5.986) 7.115 21.758 ( 0.000 -3.847 5.986) 7.115 22.732 ( 0.000 -2.369 -2.631) 3.540 22.732 ( 0.000 -2.369 2.631) 3.540 23.634 ( 0.000 -1.959 -0.054) 1.960 23.634 ( 0.000 -1.959 0.054) 1.960 24.856 ( 0.000 3.346 -3.604) 4.918 24.856 ( 0.000 3.346 3.604) 4.918 25.677 ( 0.000 -5.231 -2.699) 5.887 25.677 ( 0.000 -5.231 2.699) 5.887 26.843 ( 0.000 -3.100 -11.473) 11.884 26.843 ( 0.000 -3.100 11.473) 11.884 29.873 ( 0.000 -2.420 -3.545) 4.292 29.873 ( 0.000 -2.420 3.545) 4.292 30.587 ( 0.000 1.432 -0.830) 1.655 30.587 ( 0.000 1.432 0.830) 1.655 34.682 ( 0.000 -0.101 -4.526) 4.527 34.682 ( 0.000 -0.101 4.526) 4.527 35.465 ( 0.000 3.885 -4.023) 5.593 35.465 ( 0.000 3.885 4.023) 5.593 36.214 ( 0.000 3.165 -2.039) 3.765 36.214 ( 0.000 3.165 2.039) 3.765 36.675 ( 0.000 -13.408 -2.220) 13.591 36.675 ( 0.000 -13.408 2.220) 13.591 ======================= Grid point 650 (192/200) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 2.621 3.705 -4.648) 6.497 2.103 ( 2.621 3.705 4.648) 6.497 2.434 ( -5.631 3.473 -3.743) 7.601 2.434 ( -5.631 3.473 3.743) 7.601 2.896 ( -1.243 -0.189 -2.178) 2.514 2.896 ( -1.243 -0.189 2.178) 2.514 3.301 ( -7.657 -3.506 -2.100) 8.680 3.301 ( -7.657 -3.506 2.100) 8.680 3.619 ( 5.576 4.540 -1.181) 7.287 3.619 ( 5.576 4.540 1.181) 7.287 4.231 ( 0.903 5.282 -1.430) 5.546 4.231 ( 0.903 5.282 1.430) 5.546 21.798 ( 3.970 -3.633 -5.864) 7.959 21.798 ( 3.970 -3.633 5.865) 7.959 22.714 ( -1.765 -2.534 -2.685) 4.092 22.714 ( -1.765 -2.534 2.685) 4.092 23.566 ( -6.266 -1.679 -1.776) 6.726 23.566 ( -6.266 -1.679 1.776) 6.726 24.876 ( 1.805 4.497 -4.500) 6.613 24.876 ( 1.805 4.497 4.500) 6.613 25.660 ( -1.945 -5.314 -2.785) 6.307 25.660 ( -1.945 -5.314 2.785) 6.307 26.513 ( -29.671 -5.297 -9.408) 31.574 26.513 ( -29.671 -5.297 9.408) 31.574 30.086 ( 18.696 -1.932 -2.780) 19.000 30.086 ( 18.696 -1.932 2.780) 19.000 30.662 ( 7.075 1.248 -0.763) 7.225 30.662 ( 7.075 1.248 0.763) 7.225 34.703 ( 2.169 0.054 -4.526) 5.020 34.703 ( 2.169 0.054 4.526) 5.020 35.434 ( -2.922 3.613 -3.997) 6.129 35.434 ( -2.922 3.613 3.997) 6.129 36.240 ( 2.469 2.913 -2.151) 4.383 36.240 ( 2.469 2.913 2.151) 4.383 36.666 ( -0.831 -12.788 -2.199) 13.002 36.666 ( -0.831 -12.788 2.199) 13.002 ======================= Grid point 652 (193/200) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 3.531 4.138 -4.451) 7.029 2.170 ( 3.531 4.138 4.451) 7.029 2.322 ( -4.240 1.655 -5.666) 7.268 2.322 ( -4.240 1.655 5.666) 7.268 2.841 ( -4.444 1.625 -1.262) 4.898 2.841 ( -4.444 1.625 1.262) 4.898 3.103 ( -11.426 -3.912 -3.679) 12.625 3.103 ( -11.426 -3.912 3.679) 12.625 3.760 ( 7.978 4.332 -1.134) 9.149 3.760 ( 7.978 4.332 1.134) 9.149 4.243 ( 0.034 4.879 -1.220) 5.030 4.243 ( 0.034 4.879 1.220) 5.030 21.911 ( 7.179 -2.969 -5.426) 9.476 21.911 ( 7.179 -2.969 5.426) 9.476 22.664 ( -3.121 -3.005 -2.786) 5.151 22.664 ( -3.121 -3.005 2.786) 5.151 23.421 ( -7.183 -0.957 -2.678) 7.726 23.421 ( -7.183 -0.957 2.678) 7.726 24.891 ( -2.987 9.975 -8.197) 13.252 24.891 ( -2.987 9.975 8.197) 13.252 25.552 ( -12.487 -7.937 -4.290) 15.406 25.552 ( -12.487 -7.937 4.290) 15.406 25.880 ( -24.735 -10.451 -5.105) 27.333 25.880 ( -24.735 -10.451 5.105) 27.333 30.501 ( 20.732 -1.340 -2.318) 20.904 30.501 ( 20.732 -1.340 2.318) 20.904 30.840 ( 9.906 0.787 -0.593) 9.955 30.840 ( 9.906 0.787 0.593) 9.955 34.766 ( 4.051 0.522 -4.509) 6.084 34.766 ( 4.051 0.522 4.509) 6.084 35.355 ( -4.801 2.887 -3.971) 6.867 35.355 ( -4.801 2.887 3.971) 6.867 36.305 ( 3.787 2.075 -2.261) 4.875 36.305 ( 3.787 2.075 2.261) 4.875 36.642 ( -1.574 -11.064 -2.100) 11.371 36.642 ( -1.574 -11.064 2.100) 11.371 ======================= Grid point 654 (194/200) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.113 4.828 -2.410) 5.397 2.197 ( -0.113 4.828 2.410) 5.397 2.327 ( 3.973 -0.420 -7.643) 8.624 2.327 ( 3.973 -0.420 7.643) 8.624 2.717 ( -7.578 3.001 -5.106) 9.618 2.717 ( -7.578 3.001 5.106) 9.618 2.882 ( -9.891 -4.275 -8.196) 13.538 2.882 ( -9.891 -4.275 8.196) 13.538 3.920 ( 7.750 4.271 -1.217) 8.932 3.920 ( 7.750 4.271 1.217) 8.932 4.226 ( -1.911 4.568 -1.144) 5.082 4.226 ( -1.911 4.568 1.144) 5.082 22.074 ( 8.813 -1.738 -4.545) 10.067 22.074 ( 8.813 -1.738 4.545) 10.067 22.594 ( -3.944 -3.723 -2.873) 6.137 22.594 ( -3.944 -3.723 2.873) 6.137 23.330 ( -0.607 -0.019 -2.554) 2.626 23.330 ( -0.607 -0.019 2.554) 2.626 24.543 ( -31.362 9.637 -8.668) 33.935 24.543 ( -31.362 9.637 8.668) 33.935 25.332 ( -1.035 -12.691 -5.212) 13.759 25.332 ( -1.035 -12.691 5.212) 13.759 25.653 ( -5.566 -7.972 -2.999) 10.175 25.653 ( -5.566 -7.972 2.999) 10.175 30.861 ( 14.642 -1.029 -2.080) 14.825 30.861 ( 14.642 -1.029 2.080) 14.825 31.022 ( 7.604 0.210 -0.628) 7.633 31.022 ( 7.604 0.210 0.628) 7.633 34.861 ( 5.277 1.380 -4.376) 6.993 34.861 ( 5.277 1.380 4.376) 6.993 35.250 ( -5.634 1.782 -3.960) 7.113 35.250 ( -5.634 1.782 3.960) 7.113 36.384 ( 3.924 0.597 -2.125) 4.503 36.384 ( 3.924 0.597 2.125) 4.503 36.605 ( -2.171 -8.641 -1.878) 9.105 36.605 ( -2.171 -8.641 1.878) 9.105 ======================= Grid point 656 (195/200) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 2.374 4.716 -1.158) 5.406 2.223 ( 2.374 4.716 1.158) 5.406 2.379 ( -0.506 -0.725 -2.736) 2.875 2.379 ( -0.506 -0.725 2.736) 2.875 2.609 ( -0.712 1.290 -2.989) 3.332 2.609 ( -0.712 1.290 2.989) 3.332 2.719 ( -6.361 -2.526 -7.292) 10.001 2.719 ( -6.361 -2.526 7.292) 10.001 4.060 ( 6.144 4.360 -1.193) 7.628 4.060 ( 6.144 4.360 1.193) 7.628 4.166 ( -4.063 4.317 -1.147) 6.038 4.166 ( -4.063 4.317 1.147) 6.038 22.240 ( 6.553 0.637 -2.770) 7.142 22.240 ( 6.553 0.637 2.770) 7.142 22.504 ( -4.425 -5.401 -2.288) 7.347 22.504 ( -4.425 -5.401 2.288) 7.347 23.445 ( 12.462 2.007 -1.976) 12.777 23.445 ( 12.462 2.007 1.976) 12.777 23.913 ( -27.242 1.428 -3.922) 27.560 23.913 ( -27.242 1.428 3.922) 27.560 25.399 ( 4.728 -6.906 -2.274) 8.672 25.399 ( 4.728 -6.906 2.274) 8.672 25.551 ( -4.637 -8.934 -2.284) 10.321 25.551 ( -4.637 -8.934 2.284) 10.321 31.071 ( 6.284 -0.711 -1.571) 6.516 31.071 ( 6.284 -0.711 1.571) 6.516 31.119 ( 1.677 -0.381 -1.017) 1.998 31.119 ( 1.677 -0.381 1.017) 1.998 34.965 ( 4.539 3.194 -3.294) 6.454 34.965 ( 4.539 3.194 3.294) 6.455 35.141 ( -4.615 -0.175 -3.138) 5.584 35.141 ( -4.615 -0.175 3.138) 5.584 36.453 ( 2.574 -1.111 -1.374) 3.122 36.453 ( 2.574 -1.111 1.374) 3.122 36.560 ( -1.917 -6.343 -1.249) 6.743 36.560 ( -1.917 -6.343 1.249) 6.743 ======================= Grid point 666 (196/200) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 21.720 ( 0.000 0.000 -0.000) 0.000 21.720 ( 0.000 0.000 0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 23.615 ( 0.000 0.000 0.000) 0.000 23.615 ( 0.000 0.000 0.000) 0.000 24.892 ( 0.000 0.000 0.000) 0.000 24.892 ( 0.000 0.000 0.000) 0.000 25.621 ( 0.000 0.000 0.000) 0.000 25.621 ( 0.000 0.000 0.000) 0.000 26.810 ( 0.000 0.000 0.000) 0.000 26.810 ( 0.000 0.000 0.000) 0.000 29.847 ( 0.000 0.000 0.000) 0.000 29.847 ( 0.000 0.000 0.000) 0.000 30.603 ( 0.000 0.000 0.000) 0.000 30.603 ( 0.000 0.000 0.000) 0.000 34.679 ( 0.000 0.000 -0.000) 0.000 34.679 ( 0.000 0.000 0.000) 0.000 35.505 ( 0.000 0.000 0.000) 0.000 35.505 ( 0.000 0.000 0.000) 0.000 36.275 ( 0.000 -0.000 0.000) 0.000 36.275 ( 0.000 -0.000 0.000) 0.000 36.507 ( 0.000 0.000 0.000) 0.000 36.507 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 670 (197/200) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 2.587 0.000 0.000) 2.587 2.142 ( 2.587 0.000 0.000) 2.587 2.470 ( -6.321 0.000 0.000) 6.321 2.470 ( -6.321 0.000 0.000) 6.321 2.896 ( -0.268 0.000 0.000) 0.268 2.896 ( -0.268 0.000 0.000) 0.268 3.260 ( -7.757 0.000 0.000) 7.757 3.260 ( -7.757 0.000 0.000) 7.757 3.668 ( 5.400 0.000 0.000) 5.400 3.668 ( 5.400 0.000 0.000) 5.400 4.287 ( 0.707 0.000 0.000) 0.707 4.287 ( 0.707 0.000 0.000) 0.707 21.762 ( 4.196 0.000 -0.000) 4.196 21.762 ( 4.196 0.000 0.000) 4.196 22.686 ( -1.972 0.000 0.000) 1.972 22.686 ( -1.972 0.000 0.000) 1.972 23.550 ( -5.937 0.000 0.000) 5.937 23.550 ( -5.937 0.000 0.000) 5.937 24.926 ( 3.353 0.000 0.000) 3.353 24.926 ( 3.353 0.000 0.000) 3.353 25.603 ( -2.137 0.000 0.000) 2.137 25.603 ( -2.137 0.000 0.000) 2.137 26.456 ( -32.060 0.000 0.000) 32.060 26.456 ( -32.060 0.000 0.000) 32.060 30.065 ( 19.081 0.000 0.000) 19.081 30.065 ( 19.081 0.000 0.000) 19.081 30.676 ( 6.873 0.000 0.000) 6.873 30.676 ( 6.873 0.000 0.000) 6.873 34.703 ( 2.333 0.000 -0.000) 2.333 34.703 ( 2.333 0.000 0.000) 2.333 35.472 ( -3.204 0.000 0.000) 3.204 35.472 ( -3.204 0.000 0.000) 3.204 36.298 ( 2.123 -0.000 0.000) 2.123 36.298 ( 2.123 -0.000 0.000) 2.123 36.506 ( -0.112 0.000 0.000) 0.112 36.506 ( -0.112 0.000 0.000) 0.112 ======================= Grid point 674 (198/200) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 4.566 0.000 -0.000) 4.566 2.215 ( 4.566 0.000 0.000) 4.566 2.338 ( -6.036 0.000 0.000) 6.036 2.338 ( -6.036 0.000 0.000) 6.036 2.865 ( -2.870 0.000 0.000) 2.870 2.865 ( -2.870 0.000 0.000) 2.870 3.053 ( -12.333 -0.000 -0.000) 12.333 3.053 ( -12.333 0.000 0.000) 12.333 3.806 ( 7.888 0.000 0.000) 7.888 3.806 ( 7.888 0.000 0.000) 7.888 4.295 ( -0.154 0.000 0.000) 0.154 4.295 ( -0.154 0.000 0.000) 0.154 21.882 ( 7.673 0.000 -0.000) 7.673 21.882 ( 7.673 0.000 0.000) 7.673 22.630 ( -3.491 0.000 0.000) 3.491 22.630 ( -3.491 0.000 0.000) 3.491 23.413 ( -6.690 0.000 0.000) 6.690 23.413 ( -6.690 0.000 0.000) 6.690 25.023 ( 6.197 0.000 0.000) 6.197 25.023 ( 6.197 0.000 0.000) 6.197 25.444 ( -23.552 0.000 -0.000) 23.552 25.444 ( -23.552 0.000 0.000) 23.552 25.768 ( -24.151 0.000 0.000) 24.151 25.768 ( -24.151 0.000 0.000) 24.151 30.486 ( 20.960 0.000 0.000) 20.960 30.486 ( 20.960 0.000 0.000) 20.960 30.848 ( 9.591 0.000 0.000) 9.591 30.848 ( 9.591 0.000 0.000) 9.591 34.770 ( 4.386 0.000 -0.000) 4.386 34.770 ( 4.386 0.000 0.000) 4.386 35.385 ( -5.291 0.000 0.000) 5.291 35.385 ( -5.291 0.000 0.000) 5.291 36.351 ( 2.980 -0.000 0.000) 2.980 36.351 ( 2.980 -0.000 0.000) 2.980 36.502 ( -0.231 0.000 0.000) 0.231 36.502 ( -0.231 0.000 0.000) 0.231 ======================= Grid point 678 (199/200) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -1.596 -0.000 -0.000) 1.596 2.257 ( -1.596 0.000 0.000) 1.596 2.314 ( 4.845 0.000 0.000) 4.845 2.314 ( 4.845 0.000 0.000) 4.845 2.786 ( -4.886 -0.000 0.000) 4.886 2.786 ( -4.886 0.000 0.000) 4.886 2.799 ( -12.200 -0.000 -0.000) 12.200 2.799 ( -12.200 0.000 -0.000) 12.200 3.965 ( 7.747 0.000 0.000) 7.747 3.965 ( 7.747 0.000 0.000) 7.747 4.274 ( -2.050 0.000 0.000) 2.050 4.274 ( -2.050 0.000 0.000) 2.050 22.059 ( 9.768 0.000 -0.000) 9.768 22.059 ( 9.768 0.000 0.000) 9.768 22.551 ( -4.548 -0.000 0.000) 4.548 22.551 ( -4.548 0.000 0.000) 4.548 23.332 ( -0.034 0.000 0.000) 0.034 23.332 ( -0.034 0.000 0.000) 0.034 24.676 ( -41.798 0.000 -0.000) 41.798 24.676 ( -41.798 0.000 -0.000) 41.798 25.165 ( 7.748 -0.000 0.000) 7.748 25.165 ( 7.748 0.000 0.000) 7.748 25.572 ( -5.317 0.000 0.000) 5.317 25.572 ( -5.317 0.000 0.000) 5.317 30.849 ( 14.788 0.000 0.000) 14.788 30.849 ( 14.788 0.000 0.000) 14.788 31.024 ( 7.261 0.000 0.000) 7.261 31.024 ( 7.261 0.000 0.000) 7.261 34.874 ( 5.888 0.000 -0.000) 5.888 34.874 ( 5.888 0.000 0.000) 5.888 35.268 ( -6.361 0.000 0.000) 6.361 35.268 ( -6.361 0.000 0.000) 6.361 36.409 ( 2.668 0.000 0.000) 2.668 36.409 ( 2.668 0.000 0.000) 2.668 36.496 ( -0.470 0.000 -0.000) 0.470 36.496 ( -0.470 0.000 0.000) 0.470 ======================= Grid point 682 (200/200) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 3.841 -0.000 -0.000) 3.841 2.282 ( 3.841 0.000 0.000) 3.841 2.363 ( -1.683 0.000 0.000) 1.683 2.363 ( -1.683 0.000 0.000) 1.683 2.631 ( -2.393 -0.000 0.000) 2.393 2.631 ( -2.393 0.000 0.000) 2.393 2.682 ( -5.088 -0.000 -0.000) 5.088 2.682 ( -5.088 0.000 -0.000) 5.088 4.106 ( 6.267 0.000 0.000) 6.267 4.106 ( 6.267 0.000 0.000) 6.267 4.211 ( -4.229 0.000 0.000) 4.229 4.211 ( -4.229 0.000 0.000) 4.229 22.258 ( 9.844 0.000 -0.000) 9.844 22.258 ( 9.844 0.000 0.000) 9.844 22.435 ( -7.449 -0.000 0.000) 7.449 22.435 ( -7.449 0.000 0.000) 7.449 23.469 ( 14.790 0.000 0.000) 14.790 23.469 ( 14.790 0.000 0.000) 14.790 23.932 ( -31.239 0.000 -0.000) 31.239 23.932 ( -31.239 0.000 0.000) 31.239 25.320 ( 7.602 -0.000 0.000) 7.602 25.320 ( 7.602 0.000 0.000) 7.602 25.460 ( -6.283 0.000 0.000) 6.283 25.460 ( -6.283 0.000 0.000) 6.283 31.063 ( 6.572 0.000 0.000) 6.572 31.063 ( 6.572 0.000 0.000) 6.572 31.114 ( 1.296 -0.000 0.000) 1.296 31.114 ( 1.296 0.000 0.000) 1.296 35.001 ( 6.676 0.000 0.000) 6.676 35.001 ( 6.676 0.000 0.000) 6.676 35.136 ( -6.794 0.000 0.000) 6.794 35.136 ( -6.794 0.000 0.000) 6.794 36.454 ( 1.819 -0.000 0.000) 1.819 36.454 ( 1.819 0.000 0.000) 1.819 36.482 ( -0.992 0.000 -0.000) 0.992 36.482 ( -0.992 0.000 0.000) 0.992 =================== 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 3/36288 10.0 1184.712 1183.183 1606.283 0.000 0.000 -0.000 3/36288 20.0 256.318 316.801 338.753 0.000 0.000 -0.000 3/36288 30.0 125.146 157.723 160.485 0.000 0.000 -0.000 3/36288 40.0 90.132 111.219 111.687 0.000 0.000 -0.000 3/36288 50.0 75.191 90.343 90.581 0.000 0.000 -0.000 3/36288 60.0 66.324 77.992 78.299 0.000 0.000 -0.000 3/36288 70.0 59.940 69.370 69.767 0.000 0.000 -0.000 3/36288 80.0 54.867 62.755 63.222 0.000 0.000 -0.000 3/36288 90.0 50.612 57.372 57.892 0.000 0.000 -0.000 3/36288 100.0 46.911 52.800 53.359 0.000 0.000 -0.000 3/36288 110.0 43.587 48.771 49.361 0.000 0.000 -0.000 3/36288 120.0 40.520 45.106 45.719 0.000 0.000 -0.000 3/36288 130.0 37.628 41.693 42.318 0.000 0.000 -0.000 3/36288 140.0 34.868 38.469 39.095 0.000 0.000 -0.000 3/36288 150.0 32.227 35.415 36.027 0.000 0.000 -0.000 3/36288 160.0 29.712 32.532 33.117 0.000 0.000 -0.000 3/36288 170.0 27.339 29.832 30.382 0.000 0.000 -0.000 3/36288 180.0 25.123 27.329 27.838 0.000 0.000 -0.000 3/36288 190.0 23.078 25.031 25.497 0.000 0.000 -0.000 3/36288 200.0 21.207 22.940 23.365 0.000 0.000 -0.000 3/36288 210.0 19.509 21.049 21.438 0.000 0.000 -0.000 3/36288 220.0 17.976 19.348 19.705 0.000 0.000 -0.000 3/36288 230.0 16.599 17.823 18.153 0.000 0.000 -0.000 3/36288 240.0 15.364 16.460 16.767 0.000 0.000 -0.000 3/36288 250.0 14.257 15.241 15.530 0.000 0.000 -0.000 3/36288 260.0 13.267 14.152 14.425 0.000 0.000 -0.000 3/36288 270.0 12.379 13.177 13.437 0.000 0.000 -0.000 3/36288 280.0 11.583 12.305 12.553 0.000 0.000 -0.000 3/36288 290.0 10.867 11.522 11.761 0.000 0.000 -0.000 3/36288 300.0 10.222 10.818 11.048 0.000 0.000 -0.000 3/36288 310.0 9.640 10.184 10.406 0.000 0.000 -0.000 3/36288 320.0 9.113 9.611 9.826 0.000 0.000 -0.000 3/36288 330.0 8.636 9.092 9.301 0.000 0.000 -0.000 3/36288 340.0 8.201 8.620 8.824 0.000 0.000 -0.000 3/36288 350.0 7.804 8.191 8.389 0.000 0.000 -0.000 3/36288 360.0 7.442 7.799 7.992 0.000 0.000 -0.000 3/36288 370.0 7.110 7.440 7.628 0.000 0.000 -0.000 3/36288 380.0 6.804 7.111 7.294 0.000 0.000 -0.000 3/36288 390.0 6.523 6.808 6.986 0.000 0.000 -0.000 3/36288 400.0 6.263 6.529 6.703 0.000 0.000 -0.000 3/36288 410.0 6.022 6.271 6.440 0.000 0.000 -0.000 3/36288 420.0 5.799 6.032 6.197 0.000 0.000 -0.000 3/36288 430.0 5.592 5.810 5.971 0.000 0.000 -0.000 3/36288 440.0 5.399 5.604 5.761 0.000 0.000 -0.000 3/36288 450.0 5.218 5.411 5.565 0.000 0.000 -0.000 3/36288 460.0 5.050 5.232 5.382 0.000 0.000 -0.000 3/36288 470.0 4.891 5.063 5.210 0.000 0.000 -0.000 3/36288 480.0 4.743 4.906 5.049 0.000 0.000 -0.000 3/36288 490.0 4.604 4.758 4.898 0.000 0.000 -0.000 3/36288 500.0 4.472 4.618 4.755 0.000 0.000 -0.000 3/36288 510.0 4.348 4.487 4.621 0.000 0.000 -0.000 3/36288 520.0 4.231 4.363 4.494 0.000 0.000 -0.000 3/36288 530.0 4.120 4.246 4.374 0.000 0.000 -0.000 3/36288 540.0 4.015 4.135 4.261 0.000 0.000 -0.000 3/36288 550.0 3.916 4.030 4.153 0.000 0.000 -0.000 3/36288 560.0 3.821 3.930 4.051 0.000 0.000 -0.000 3/36288 570.0 3.731 3.836 3.954 0.000 0.000 -0.000 3/36288 580.0 3.646 3.746 3.861 0.000 0.000 -0.000 3/36288 590.0 3.564 3.660 3.773 0.000 0.000 -0.000 3/36288 600.0 3.486 3.578 3.689 0.000 0.000 -0.000 3/36288 610.0 3.412 3.500 3.609 0.000 0.000 -0.000 3/36288 620.0 3.340 3.425 3.533 0.000 0.000 -0.000 3/36288 630.0 3.272 3.354 3.459 0.000 0.000 -0.000 3/36288 640.0 3.207 3.286 3.389 0.000 0.000 -0.000 3/36288 650.0 3.144 3.220 3.322 0.000 0.000 -0.000 3/36288 660.0 3.084 3.157 3.257 0.000 0.000 -0.000 3/36288 670.0 3.027 3.097 3.195 0.000 0.000 -0.000 3/36288 680.0 2.971 3.039 3.135 0.000 0.000 -0.000 3/36288 690.0 2.918 2.984 3.078 0.000 0.000 -0.000 3/36288 700.0 2.866 2.930 3.023 0.000 0.000 -0.000 3/36288 710.0 2.817 2.878 2.970 0.000 0.000 -0.000 3/36288 720.0 2.769 2.829 2.919 0.000 0.000 -0.000 3/36288 730.0 2.723 2.781 2.869 0.000 0.000 -0.000 3/36288 740.0 2.678 2.734 2.822 0.000 0.000 -0.000 3/36288 750.0 2.635 2.690 2.776 0.000 0.000 -0.000 3/36288 760.0 2.594 2.647 2.731 0.000 0.000 -0.000 3/36288 770.0 2.553 2.605 2.688 0.000 0.000 -0.000 3/36288 780.0 2.514 2.564 2.646 0.000 0.000 -0.000 3/36288 790.0 2.477 2.525 2.606 0.000 0.000 -0.000 3/36288 800.0 2.440 2.487 2.567 0.000 0.000 -0.000 3/36288 810.0 2.405 2.451 2.529 0.000 0.000 -0.000 3/36288 820.0 2.370 2.415 2.493 0.000 0.000 -0.000 3/36288 830.0 2.337 2.381 2.457 0.000 0.000 -0.000 3/36288 840.0 2.305 2.347 2.423 0.000 0.000 -0.000 3/36288 850.0 2.273 2.315 2.389 0.000 0.000 -0.000 3/36288 860.0 2.243 2.283 2.356 0.000 0.000 -0.000 3/36288 870.0 2.213 2.253 2.325 0.000 0.000 -0.000 3/36288 880.0 2.184 2.223 2.294 0.000 0.000 -0.000 3/36288 890.0 2.156 2.194 2.264 0.000 0.000 -0.000 3/36288 900.0 2.128 2.165 2.235 0.000 0.000 -0.000 3/36288 910.0 2.102 2.138 2.207 0.000 0.000 -0.000 3/36288 920.0 2.076 2.111 2.179 0.000 0.000 -0.000 3/36288 930.0 2.050 2.085 2.152 0.000 0.000 -0.000 3/36288 940.0 2.026 2.060 2.126 0.000 0.000 -0.000 3/36288 950.0 2.002 2.035 2.100 0.000 0.000 -0.000 3/36288 960.0 1.978 2.011 2.076 0.000 0.000 -0.000 3/36288 970.0 1.955 1.987 2.051 0.000 0.000 -0.000 3/36288 980.0 1.933 1.964 2.027 0.000 0.000 -0.000 3/36288 990.0 1.911 1.942 2.004 0.000 0.000 -0.000 3/36288 1000.0 1.890 1.920 1.982 0.000 0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m9148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:09:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|