----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:16:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.423070530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.921832860000000 Atomic positions (fractional): *1 Tm 0.85736072214780 0.25000000000000 0.10221713257386 168.934 2 Tm 0.35736072214780 0.25000000000000 0.39778286742614 168.934 3 Tm 0.64263927785220 0.75000000000000 0.60221713257386 168.934 4 Tm 0.14263927785220 0.75000000000000 0.89778286742614 168.934 *5 H 0.60364199450594 0.25000000000000 0.13271564312396 1.008 6 H 0.10364199450594 0.25000000000000 0.36728435687604 1.008 7 H 0.89635800549406 0.75000000000000 0.63271564312396 1.008 8 H 0.39635800549406 0.75000000000000 0.86728435687604 1.008 *9 O 0.06894082714036 0.25000000000000 0.17353297739968 15.999 *10 O 0.31284196234831 0.75000000000000 0.14384358404703 15.999 11 O 0.81284196234831 0.75000000000000 0.35615641595297 15.999 12 O 0.56894082714036 0.25000000000000 0.32646702260032 15.999 13 O 0.43105917285964 0.75000000000000 0.67353297739968 15.999 14 O 0.18715803765169 0.25000000000000 0.64384358404703 15.999 15 O 0.68715803765169 0.25000000000000 0.85615641595297 15.999 16 O 0.93105917285964 0.75000000000000 0.82646702260031 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.423070530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.921832860000000 Atomic positions (fractional): *1 Tm 0.85736072214780 0.25000000000000 0.10221713257386 168.934 > 1 2 Tm 0.35736072214780 0.25000000000000 0.39778286742614 168.934 > 2 3 Tm 0.64263927785220 0.75000000000000 0.60221713257386 168.934 > 3 4 Tm 0.14263927785220 0.75000000000000 0.89778286742614 168.934 > 4 *5 H 0.60364199450594 0.25000000000000 0.13271564312396 1.008 > 5 6 H 0.10364199450594 0.25000000000000 0.36728435687604 1.008 > 6 7 H 0.89635800549406 0.75000000000000 0.63271564312396 1.008 > 7 8 H 0.39635800549406 0.75000000000000 0.86728435687604 1.008 > 8 *9 O 0.06894082714036 0.25000000000000 0.17353297739969 15.999 > 9 *10 O 0.31284196234831 0.75000000000000 0.14384358404703 15.999 > 10 11 O 0.81284196234831 0.75000000000000 0.35615641595297 15.999 > 11 12 O 0.56894082714036 0.25000000000000 0.32646702260032 15.999 > 12 13 O 0.43105917285964 0.75000000000000 0.67353297739968 15.999 > 13 14 O 0.18715803765169 0.25000000000000 0.64384358404703 15.999 > 14 15 O 0.68715803765169 0.25000000000000 0.85615641595297 15.999 > 15 16 O 0.93105917285964 0.75000000000000 0.82646702260032 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.269211589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.765498580000001 Atomic positions (fractional): *1 Tm 0.85736072214780 0.08333333333333 0.03407237752462 168.934 > 1 2 Tm 0.85736072214780 0.41666666666667 0.03407237752462 168.934 > 1 3 Tm 0.85736072214780 0.75000000000000 0.03407237752462 168.934 > 1 4 Tm 0.85736072214780 0.08333333333333 0.36740571085795 168.934 > 1 5 Tm 0.85736072214780 0.41666666666667 0.36740571085795 168.934 > 1 6 Tm 0.85736072214780 0.75000000000000 0.36740571085795 168.934 > 1 7 Tm 0.85736072214780 0.08333333333333 0.70073904419129 168.934 > 1 8 Tm 0.85736072214780 0.41666666666667 0.70073904419129 168.934 > 1 9 Tm 0.85736072214780 0.75000000000000 0.70073904419129 168.934 > 1 10 Tm 0.35736072214780 0.08333333333333 0.13259428914205 168.934 > 2 11 Tm 0.35736072214780 0.41666666666667 0.13259428914205 168.934 > 2 12 Tm 0.35736072214780 0.75000000000000 0.13259428914205 168.934 > 2 13 Tm 0.35736072214780 0.08333333333333 0.46592762247538 168.934 > 2 14 Tm 0.35736072214780 0.41666666666667 0.46592762247538 168.934 > 2 15 Tm 0.35736072214780 0.75000000000000 0.46592762247538 168.934 > 2 16 Tm 0.35736072214780 0.08333333333333 0.79926095580871 168.934 > 2 17 Tm 0.35736072214780 0.41666666666667 0.79926095580871 168.934 > 2 18 Tm 0.35736072214780 0.75000000000000 0.79926095580871 168.934 > 2 19 Tm 0.64263927785220 0.25000000000000 0.20073904419129 168.934 > 3 20 Tm 0.64263927785220 0.58333333333333 0.20073904419129 168.934 > 3 21 Tm 0.64263927785220 0.91666666666667 0.20073904419129 168.934 > 3 22 Tm 0.64263927785220 0.25000000000000 0.53407237752462 168.934 > 3 23 Tm 0.64263927785220 0.58333333333333 0.53407237752462 168.934 > 3 24 Tm 0.64263927785220 0.91666666666667 0.53407237752462 168.934 > 3 25 Tm 0.64263927785220 0.25000000000000 0.86740571085795 168.934 > 3 26 Tm 0.64263927785220 0.58333333333333 0.86740571085795 168.934 > 3 27 Tm 0.64263927785220 0.91666666666667 0.86740571085795 168.934 > 3 28 Tm 0.14263927785220 0.25000000000000 0.29926095580871 168.934 > 4 29 Tm 0.14263927785220 0.58333333333333 0.29926095580871 168.934 > 4 30 Tm 0.14263927785220 0.91666666666667 0.29926095580871 168.934 > 4 31 Tm 0.14263927785220 0.25000000000000 0.63259428914205 168.934 > 4 32 Tm 0.14263927785220 0.58333333333333 0.63259428914205 168.934 > 4 33 Tm 0.14263927785220 0.91666666666667 0.63259428914205 168.934 > 4 34 Tm 0.14263927785220 0.25000000000000 0.96592762247538 168.934 > 4 35 Tm 0.14263927785220 0.58333333333333 0.96592762247538 168.934 > 4 36 Tm 0.14263927785220 0.91666666666667 0.96592762247538 168.934 > 4 *37 H 0.60364199450594 0.08333333333333 0.04423854770799 1.008 > 5 38 H 0.60364199450594 0.41666666666667 0.04423854770799 1.008 > 5 39 H 0.60364199450594 0.75000000000000 0.04423854770799 1.008 > 5 40 H 0.60364199450594 0.08333333333333 0.37757188104132 1.008 > 5 41 H 0.60364199450594 0.41666666666667 0.37757188104132 1.008 > 5 42 H 0.60364199450594 0.75000000000000 0.37757188104132 1.008 > 5 43 H 0.60364199450594 0.08333333333333 0.71090521437465 1.008 > 5 44 H 0.60364199450594 0.41666666666667 0.71090521437465 1.008 > 5 45 H 0.60364199450594 0.75000000000000 0.71090521437465 1.008 > 5 46 H 0.10364199450594 0.08333333333333 0.12242811895868 1.008 > 6 47 H 0.10364199450594 0.41666666666667 0.12242811895868 1.008 > 6 48 H 0.10364199450594 0.75000000000000 0.12242811895868 1.008 > 6 49 H 0.10364199450594 0.08333333333333 0.45576145229201 1.008 > 6 50 H 0.10364199450594 0.41666666666667 0.45576145229201 1.008 > 6 51 H 0.10364199450594 0.75000000000000 0.45576145229201 1.008 > 6 52 H 0.10364199450594 0.08333333333333 0.78909478562535 1.008 > 6 53 H 0.10364199450594 0.41666666666667 0.78909478562535 1.008 > 6 54 H 0.10364199450594 0.75000000000000 0.78909478562535 1.008 > 6 55 H 0.89635800549406 0.25000000000000 0.21090521437465 1.008 > 7 56 H 0.89635800549406 0.58333333333333 0.21090521437465 1.008 > 7 57 H 0.89635800549406 0.91666666666667 0.21090521437465 1.008 > 7 58 H 0.89635800549406 0.25000000000000 0.54423854770799 1.008 > 7 59 H 0.89635800549406 0.58333333333333 0.54423854770799 1.008 > 7 60 H 0.89635800549406 0.91666666666667 0.54423854770799 1.008 > 7 61 H 0.89635800549406 0.25000000000000 0.87757188104132 1.008 > 7 62 H 0.89635800549406 0.58333333333333 0.87757188104132 1.008 > 7 63 H 0.89635800549406 0.91666666666667 0.87757188104132 1.008 > 7 64 H 0.39635800549406 0.25000000000000 0.28909478562535 1.008 > 8 65 H 0.39635800549406 0.58333333333333 0.28909478562535 1.008 > 8 66 H 0.39635800549406 0.91666666666667 0.28909478562535 1.008 > 8 67 H 0.39635800549406 0.25000000000000 0.62242811895868 1.008 > 8 68 H 0.39635800549406 0.58333333333333 0.62242811895868 1.008 > 8 69 H 0.39635800549406 0.91666666666667 0.62242811895868 1.008 > 8 70 H 0.39635800549406 0.25000000000000 0.95576145229201 1.008 > 8 71 H 0.39635800549406 0.58333333333333 0.95576145229201 1.008 > 8 72 H 0.39635800549406 0.91666666666667 0.95576145229201 1.008 > 8 *73 O 0.06894082714036 0.08333333333333 0.05784432579989 15.999 > 9 74 O 0.06894082714036 0.41666666666667 0.05784432579989 15.999 > 9 75 O 0.06894082714036 0.75000000000000 0.05784432579989 15.999 > 9 76 O 0.06894082714036 0.08333333333333 0.39117765913323 15.999 > 9 77 O 0.06894082714036 0.41666666666667 0.39117765913323 15.999 > 9 78 O 0.06894082714036 0.75000000000000 0.39117765913323 15.999 > 9 79 O 0.06894082714036 0.08333333333333 0.72451099246656 15.999 > 9 80 O 0.06894082714036 0.41666666666667 0.72451099246656 15.999 > 9 81 O 0.06894082714036 0.75000000000000 0.72451099246656 15.999 > 9 *82 O 0.31284196234831 0.25000000000000 0.04794786134901 15.999 > 10 83 O 0.31284196234831 0.58333333333333 0.04794786134901 15.999 > 10 84 O 0.31284196234831 0.91666666666667 0.04794786134901 15.999 > 10 85 O 0.31284196234831 0.25000000000000 0.38128119468234 15.999 > 10 86 O 0.31284196234831 0.58333333333333 0.38128119468234 15.999 > 10 87 O 0.31284196234831 0.91666666666667 0.38128119468234 15.999 > 10 88 O 0.31284196234831 0.25000000000000 0.71461452801568 15.999 > 10 89 O 0.31284196234831 0.58333333333333 0.71461452801568 15.999 > 10 90 O 0.31284196234831 0.91666666666667 0.71461452801568 15.999 > 10 91 O 0.81284196234831 0.25000000000000 0.11871880531766 15.999 > 11 92 O 0.81284196234831 0.58333333333333 0.11871880531766 15.999 > 11 93 O 0.81284196234831 0.91666666666667 0.11871880531766 15.999 > 11 94 O 0.81284196234831 0.25000000000000 0.45205213865099 15.999 > 11 95 O 0.81284196234831 0.58333333333333 0.45205213865099 15.999 > 11 96 O 0.81284196234831 0.91666666666667 0.45205213865099 15.999 > 11 97 O 0.81284196234831 0.25000000000000 0.78538547198432 15.999 > 11 98 O 0.81284196234831 0.58333333333333 0.78538547198432 15.999 > 11 99 O 0.81284196234831 0.91666666666667 0.78538547198432 15.999 > 11 100 O 0.56894082714036 0.08333333333333 0.10882234086677 15.999 > 12 101 O 0.56894082714036 0.41666666666667 0.10882234086677 15.999 > 12 102 O 0.56894082714036 0.75000000000000 0.10882234086677 15.999 > 12 103 O 0.56894082714036 0.08333333333333 0.44215567420010 15.999 > 12 104 O 0.56894082714036 0.41666666666667 0.44215567420010 15.999 > 12 105 O 0.56894082714036 0.75000000000000 0.44215567420010 15.999 > 12 106 O 0.56894082714036 0.08333333333333 0.77548900753344 15.999 > 12 107 O 0.56894082714036 0.41666666666667 0.77548900753344 15.999 > 12 108 O 0.56894082714036 0.75000000000000 0.77548900753344 15.999 > 12 109 O 0.43105917285964 0.25000000000000 0.22451099246656 15.999 > 13 110 O 0.43105917285964 0.58333333333333 0.22451099246656 15.999 > 13 111 O 0.43105917285964 0.91666666666667 0.22451099246656 15.999 > 13 112 O 0.43105917285964 0.25000000000000 0.55784432579989 15.999 > 13 113 O 0.43105917285964 0.58333333333333 0.55784432579989 15.999 > 13 114 O 0.43105917285964 0.91666666666667 0.55784432579989 15.999 > 13 115 O 0.43105917285964 0.25000000000000 0.89117765913323 15.999 > 13 116 O 0.43105917285964 0.58333333333333 0.89117765913323 15.999 > 13 117 O 0.43105917285964 0.91666666666667 0.89117765913323 15.999 > 13 118 O 0.18715803765169 0.08333333333333 0.21461452801568 15.999 > 14 119 O 0.18715803765169 0.41666666666667 0.21461452801568 15.999 > 14 120 O 0.18715803765169 0.75000000000000 0.21461452801568 15.999 > 14 121 O 0.18715803765169 0.08333333333333 0.54794786134901 15.999 > 14 122 O 0.18715803765169 0.41666666666667 0.54794786134901 15.999 > 14 123 O 0.18715803765169 0.75000000000000 0.54794786134901 15.999 > 14 124 O 0.18715803765169 0.08333333333333 0.88128119468234 15.999 > 14 125 O 0.18715803765169 0.41666666666667 0.88128119468234 15.999 > 14 126 O 0.18715803765169 0.75000000000000 0.88128119468234 15.999 > 14 127 O 0.68715803765169 0.08333333333333 0.28538547198432 15.999 > 15 128 O 0.68715803765169 0.41666666666667 0.28538547198432 15.999 > 15 129 O 0.68715803765169 0.75000000000000 0.28538547198432 15.999 > 15 130 O 0.68715803765169 0.08333333333333 0.61871880531766 15.999 > 15 131 O 0.68715803765169 0.41666666666667 0.61871880531766 15.999 > 15 132 O 0.68715803765169 0.75000000000000 0.61871880531766 15.999 > 15 133 O 0.68715803765169 0.08333333333333 0.95205213865099 15.999 > 15 134 O 0.68715803765169 0.41666666666667 0.95205213865099 15.999 > 15 135 O 0.68715803765169 0.75000000000000 0.95205213865099 15.999 > 15 136 O 0.93105917285964 0.25000000000000 0.27548900753344 15.999 > 16 137 O 0.93105917285964 0.58333333333333 0.27548900753344 15.999 > 16 138 O 0.93105917285964 0.91666666666667 0.27548900753344 15.999 > 16 139 O 0.93105917285964 0.25000000000000 0.60882234086677 15.999 > 16 140 O 0.93105917285964 0.58333333333333 0.60882234086677 15.999 > 16 141 O 0.93105917285964 0.91666666666667 0.60882234086677 15.999 > 16 142 O 0.93105917285964 0.25000000000000 0.94215567420010 15.999 > 16 143 O 0.93105917285964 0.58333333333333 0.94215567420010 15.999 > 16 144 O 0.93105917285964 0.91666666666667 0.94215567420010 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5185316 0.0000000 0.0000000 0.0000000 3.6402264 0.0000000 0.0000000 0.0000000 3.5212066 -------------------------- Born effective charges -------------------------- 1 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 2 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 3 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 4 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 5 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 6 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 7 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 8 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 9 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 10 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 11 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 12 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 13 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 14 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 15 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 16 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 ---------------------------------------------------------------------------- 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: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 2.464 Solver_block: 200 / 240 - Time: 2.417 Solver_block: 240 / 240 - Time: 1.047 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.961 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:16:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:16:38]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.423070530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.921832860000000 Atomic positions (fractional): 1 Tm 0.85736072214780 0.25000000000000 0.10221713257386 168.934 2 Tm 0.35736072214780 0.25000000000000 0.39778286742614 168.934 3 Tm 0.64263927785220 0.75000000000000 0.60221713257386 168.934 4 Tm 0.14263927785220 0.75000000000000 0.89778286742614 168.934 5 H 0.60364199450594 0.25000000000000 0.13271564312396 1.008 6 H 0.10364199450594 0.25000000000000 0.36728435687604 1.008 7 H 0.89635800549406 0.75000000000000 0.63271564312396 1.008 8 H 0.39635800549406 0.75000000000000 0.86728435687604 1.008 9 O 0.06894082714036 0.25000000000000 0.17353297739968 15.999 10 O 0.31284196234831 0.75000000000000 0.14384358404703 15.999 11 O 0.81284196234831 0.75000000000000 0.35615641595297 15.999 12 O 0.56894082714036 0.25000000000000 0.32646702260032 15.999 13 O 0.43105917285964 0.75000000000000 0.67353297739968 15.999 14 O 0.18715803765169 0.25000000000000 0.64384358404703 15.999 15 O 0.68715803765169 0.25000000000000 0.85615641595297 15.999 16 O 0.93105917285964 0.75000000000000 0.82646702260031 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.269211589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.765498580000001 Atomic positions (fractional): 1 Tm 0.85736072214780 0.08333333333333 0.03407237752462 168.934 > 1 2 Tm 0.85736072214780 0.41666666666667 0.03407237752462 168.934 > 1 3 Tm 0.85736072214780 0.75000000000000 0.03407237752462 168.934 > 1 4 Tm 0.85736072214780 0.08333333333333 0.36740571085795 168.934 > 1 5 Tm 0.85736072214780 0.41666666666667 0.36740571085795 168.934 > 1 6 Tm 0.85736072214780 0.75000000000000 0.36740571085795 168.934 > 1 7 Tm 0.85736072214780 0.08333333333333 0.70073904419129 168.934 > 1 8 Tm 0.85736072214780 0.41666666666667 0.70073904419129 168.934 > 1 9 Tm 0.85736072214780 0.75000000000000 0.70073904419129 168.934 > 1 10 Tm 0.35736072214780 0.08333333333333 0.13259428914205 168.934 > 10 11 Tm 0.35736072214780 0.41666666666667 0.13259428914205 168.934 > 10 12 Tm 0.35736072214780 0.75000000000000 0.13259428914205 168.934 > 10 13 Tm 0.35736072214780 0.08333333333333 0.46592762247538 168.934 > 10 14 Tm 0.35736072214780 0.41666666666667 0.46592762247538 168.934 > 10 15 Tm 0.35736072214780 0.75000000000000 0.46592762247538 168.934 > 10 16 Tm 0.35736072214780 0.08333333333333 0.79926095580871 168.934 > 10 17 Tm 0.35736072214780 0.41666666666667 0.79926095580871 168.934 > 10 18 Tm 0.35736072214780 0.75000000000000 0.79926095580871 168.934 > 10 19 Tm 0.64263927785220 0.25000000000000 0.20073904419129 168.934 > 19 20 Tm 0.64263927785220 0.58333333333333 0.20073904419129 168.934 > 19 21 Tm 0.64263927785220 0.91666666666667 0.20073904419129 168.934 > 19 22 Tm 0.64263927785220 0.25000000000000 0.53407237752462 168.934 > 19 23 Tm 0.64263927785220 0.58333333333333 0.53407237752462 168.934 > 19 24 Tm 0.64263927785220 0.91666666666667 0.53407237752462 168.934 > 19 25 Tm 0.64263927785220 0.25000000000000 0.86740571085795 168.934 > 19 26 Tm 0.64263927785220 0.58333333333333 0.86740571085795 168.934 > 19 27 Tm 0.64263927785220 0.91666666666667 0.86740571085795 168.934 > 19 28 Tm 0.14263927785220 0.25000000000000 0.29926095580871 168.934 > 28 29 Tm 0.14263927785220 0.58333333333333 0.29926095580871 168.934 > 28 30 Tm 0.14263927785220 0.91666666666667 0.29926095580871 168.934 > 28 31 Tm 0.14263927785220 0.25000000000000 0.63259428914205 168.934 > 28 32 Tm 0.14263927785220 0.58333333333333 0.63259428914205 168.934 > 28 33 Tm 0.14263927785220 0.91666666666667 0.63259428914205 168.934 > 28 34 Tm 0.14263927785220 0.25000000000000 0.96592762247538 168.934 > 28 35 Tm 0.14263927785220 0.58333333333333 0.96592762247538 168.934 > 28 36 Tm 0.14263927785220 0.91666666666667 0.96592762247538 168.934 > 28 37 H 0.60364199450594 0.08333333333333 0.04423854770799 1.008 > 37 38 H 0.60364199450594 0.41666666666667 0.04423854770799 1.008 > 37 39 H 0.60364199450594 0.75000000000000 0.04423854770799 1.008 > 37 40 H 0.60364199450594 0.08333333333333 0.37757188104132 1.008 > 37 41 H 0.60364199450594 0.41666666666667 0.37757188104132 1.008 > 37 42 H 0.60364199450594 0.75000000000000 0.37757188104132 1.008 > 37 43 H 0.60364199450594 0.08333333333333 0.71090521437465 1.008 > 37 44 H 0.60364199450594 0.41666666666667 0.71090521437465 1.008 > 37 45 H 0.60364199450594 0.75000000000000 0.71090521437465 1.008 > 37 46 H 0.10364199450594 0.08333333333333 0.12242811895868 1.008 > 46 47 H 0.10364199450594 0.41666666666667 0.12242811895868 1.008 > 46 48 H 0.10364199450594 0.75000000000000 0.12242811895868 1.008 > 46 49 H 0.10364199450594 0.08333333333333 0.45576145229201 1.008 > 46 50 H 0.10364199450594 0.41666666666667 0.45576145229201 1.008 > 46 51 H 0.10364199450594 0.75000000000000 0.45576145229201 1.008 > 46 52 H 0.10364199450594 0.08333333333333 0.78909478562535 1.008 > 46 53 H 0.10364199450594 0.41666666666667 0.78909478562535 1.008 > 46 54 H 0.10364199450594 0.75000000000000 0.78909478562535 1.008 > 46 55 H 0.89635800549406 0.25000000000000 0.21090521437465 1.008 > 55 56 H 0.89635800549406 0.58333333333333 0.21090521437465 1.008 > 55 57 H 0.89635800549406 0.91666666666667 0.21090521437465 1.008 > 55 58 H 0.89635800549406 0.25000000000000 0.54423854770799 1.008 > 55 59 H 0.89635800549406 0.58333333333333 0.54423854770799 1.008 > 55 60 H 0.89635800549406 0.91666666666667 0.54423854770799 1.008 > 55 61 H 0.89635800549406 0.25000000000000 0.87757188104132 1.008 > 55 62 H 0.89635800549406 0.58333333333333 0.87757188104132 1.008 > 55 63 H 0.89635800549406 0.91666666666667 0.87757188104132 1.008 > 55 64 H 0.39635800549406 0.25000000000000 0.28909478562535 1.008 > 64 65 H 0.39635800549406 0.58333333333333 0.28909478562535 1.008 > 64 66 H 0.39635800549406 0.91666666666667 0.28909478562535 1.008 > 64 67 H 0.39635800549406 0.25000000000000 0.62242811895868 1.008 > 64 68 H 0.39635800549406 0.58333333333333 0.62242811895868 1.008 > 64 69 H 0.39635800549406 0.91666666666667 0.62242811895868 1.008 > 64 70 H 0.39635800549406 0.25000000000000 0.95576145229201 1.008 > 64 71 H 0.39635800549406 0.58333333333333 0.95576145229201 1.008 > 64 72 H 0.39635800549406 0.91666666666667 0.95576145229201 1.008 > 64 73 O 0.06894082714036 0.08333333333333 0.05784432579989 15.999 > 73 74 O 0.06894082714036 0.41666666666667 0.05784432579989 15.999 > 73 75 O 0.06894082714036 0.75000000000000 0.05784432579989 15.999 > 73 76 O 0.06894082714036 0.08333333333333 0.39117765913323 15.999 > 73 77 O 0.06894082714036 0.41666666666667 0.39117765913323 15.999 > 73 78 O 0.06894082714036 0.75000000000000 0.39117765913323 15.999 > 73 79 O 0.06894082714036 0.08333333333333 0.72451099246656 15.999 > 73 80 O 0.06894082714036 0.41666666666667 0.72451099246656 15.999 > 73 81 O 0.06894082714036 0.75000000000000 0.72451099246656 15.999 > 73 82 O 0.31284196234831 0.25000000000000 0.04794786134901 15.999 > 82 83 O 0.31284196234831 0.58333333333333 0.04794786134901 15.999 > 82 84 O 0.31284196234831 0.91666666666667 0.04794786134901 15.999 > 82 85 O 0.31284196234831 0.25000000000000 0.38128119468234 15.999 > 82 86 O 0.31284196234831 0.58333333333333 0.38128119468234 15.999 > 82 87 O 0.31284196234831 0.91666666666667 0.38128119468234 15.999 > 82 88 O 0.31284196234831 0.25000000000000 0.71461452801568 15.999 > 82 89 O 0.31284196234831 0.58333333333333 0.71461452801568 15.999 > 82 90 O 0.31284196234831 0.91666666666667 0.71461452801568 15.999 > 82 91 O 0.81284196234831 0.25000000000000 0.11871880531766 15.999 > 91 92 O 0.81284196234831 0.58333333333333 0.11871880531766 15.999 > 91 93 O 0.81284196234831 0.91666666666667 0.11871880531766 15.999 > 91 94 O 0.81284196234831 0.25000000000000 0.45205213865099 15.999 > 91 95 O 0.81284196234831 0.58333333333333 0.45205213865099 15.999 > 91 96 O 0.81284196234831 0.91666666666667 0.45205213865099 15.999 > 91 97 O 0.81284196234831 0.25000000000000 0.78538547198432 15.999 > 91 98 O 0.81284196234831 0.58333333333333 0.78538547198432 15.999 > 91 99 O 0.81284196234831 0.91666666666667 0.78538547198432 15.999 > 91 100 O 0.56894082714036 0.08333333333333 0.10882234086677 15.999 > 100 101 O 0.56894082714036 0.41666666666667 0.10882234086677 15.999 > 100 102 O 0.56894082714036 0.75000000000000 0.10882234086677 15.999 > 100 103 O 0.56894082714036 0.08333333333333 0.44215567420010 15.999 > 100 104 O 0.56894082714036 0.41666666666667 0.44215567420010 15.999 > 100 105 O 0.56894082714036 0.75000000000000 0.44215567420010 15.999 > 100 106 O 0.56894082714036 0.08333333333333 0.77548900753344 15.999 > 100 107 O 0.56894082714036 0.41666666666667 0.77548900753344 15.999 > 100 108 O 0.56894082714036 0.75000000000000 0.77548900753344 15.999 > 100 109 O 0.43105917285964 0.25000000000000 0.22451099246656 15.999 > 109 110 O 0.43105917285964 0.58333333333333 0.22451099246656 15.999 > 109 111 O 0.43105917285964 0.91666666666667 0.22451099246656 15.999 > 109 112 O 0.43105917285964 0.25000000000000 0.55784432579989 15.999 > 109 113 O 0.43105917285964 0.58333333333333 0.55784432579989 15.999 > 109 114 O 0.43105917285964 0.91666666666667 0.55784432579989 15.999 > 109 115 O 0.43105917285964 0.25000000000000 0.89117765913323 15.999 > 109 116 O 0.43105917285964 0.58333333333333 0.89117765913323 15.999 > 109 117 O 0.43105917285964 0.91666666666667 0.89117765913323 15.999 > 109 118 O 0.18715803765169 0.08333333333333 0.21461452801568 15.999 > 118 119 O 0.18715803765169 0.41666666666667 0.21461452801568 15.999 > 118 120 O 0.18715803765169 0.75000000000000 0.21461452801568 15.999 > 118 121 O 0.18715803765169 0.08333333333333 0.54794786134901 15.999 > 118 122 O 0.18715803765169 0.41666666666667 0.54794786134901 15.999 > 118 123 O 0.18715803765169 0.75000000000000 0.54794786134901 15.999 > 118 124 O 0.18715803765169 0.08333333333333 0.88128119468234 15.999 > 118 125 O 0.18715803765169 0.41666666666667 0.88128119468234 15.999 > 118 126 O 0.18715803765169 0.75000000000000 0.88128119468234 15.999 > 118 127 O 0.68715803765169 0.08333333333333 0.28538547198432 15.999 > 127 128 O 0.68715803765169 0.41666666666667 0.28538547198432 15.999 > 127 129 O 0.68715803765169 0.75000000000000 0.28538547198432 15.999 > 127 130 O 0.68715803765169 0.08333333333333 0.61871880531766 15.999 > 127 131 O 0.68715803765169 0.41666666666667 0.61871880531766 15.999 > 127 132 O 0.68715803765169 0.75000000000000 0.61871880531766 15.999 > 127 133 O 0.68715803765169 0.08333333333333 0.95205213865099 15.999 > 127 134 O 0.68715803765169 0.41666666666667 0.95205213865099 15.999 > 127 135 O 0.68715803765169 0.75000000000000 0.95205213865099 15.999 > 127 136 O 0.93105917285964 0.25000000000000 0.27548900753344 15.999 > 136 137 O 0.93105917285964 0.58333333333333 0.27548900753344 15.999 > 136 138 O 0.93105917285964 0.91666666666667 0.27548900753344 15.999 > 136 139 O 0.93105917285964 0.25000000000000 0.60882234086677 15.999 > 136 140 O 0.93105917285964 0.58333333333333 0.60882234086677 15.999 > 136 141 O 0.93105917285964 0.91666666666667 0.60882234086677 15.999 > 136 142 O 0.93105917285964 0.25000000000000 0.94215567420010 15.999 > 136 143 O 0.93105917285964 0.58333333333333 0.94215567420010 15.999 > 136 144 O 0.93105917285964 0.91666666666667 0.94215567420010 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5185316 0.0000000 0.0000000 0.0000000 3.6402264 0.0000000 0.0000000 0.0000000 3.5212066 -------------------------- Born effective charges -------------------------- 1 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 2 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 3 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 4 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 5 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 6 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 7 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 8 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 9 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 10 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 11 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 12 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 13 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 14 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 15 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 16 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, 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 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:17:00]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.423070530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.921832860000000 Atomic positions (fractional): 1 Tm 0.85736072214780 0.25000000000000 0.10221713257386 168.934 2 Tm 0.35736072214780 0.25000000000000 0.39778286742614 168.934 3 Tm 0.64263927785220 0.75000000000000 0.60221713257386 168.934 4 Tm 0.14263927785220 0.75000000000000 0.89778286742614 168.934 5 H 0.60364199450594 0.25000000000000 0.13271564312396 1.008 6 H 0.10364199450594 0.25000000000000 0.36728435687604 1.008 7 H 0.89635800549406 0.75000000000000 0.63271564312396 1.008 8 H 0.39635800549406 0.75000000000000 0.86728435687604 1.008 9 O 0.06894082714036 0.25000000000000 0.17353297739968 15.999 10 O 0.31284196234831 0.75000000000000 0.14384358404703 15.999 11 O 0.81284196234831 0.75000000000000 0.35615641595297 15.999 12 O 0.56894082714036 0.25000000000000 0.32646702260032 15.999 13 O 0.43105917285964 0.75000000000000 0.67353297739968 15.999 14 O 0.18715803765169 0.25000000000000 0.64384358404703 15.999 15 O 0.68715803765169 0.25000000000000 0.85615641595297 15.999 16 O 0.93105917285964 0.75000000000000 0.82646702260031 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.586852770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.269211589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.765498580000001 Atomic positions (fractional): 1 Tm 0.85736072214780 0.08333333333333 0.03407237752462 168.934 > 1 2 Tm 0.85736072214780 0.41666666666667 0.03407237752462 168.934 > 1 3 Tm 0.85736072214780 0.75000000000000 0.03407237752462 168.934 > 1 4 Tm 0.85736072214780 0.08333333333333 0.36740571085795 168.934 > 1 5 Tm 0.85736072214780 0.41666666666667 0.36740571085795 168.934 > 1 6 Tm 0.85736072214780 0.75000000000000 0.36740571085795 168.934 > 1 7 Tm 0.85736072214780 0.08333333333333 0.70073904419129 168.934 > 1 8 Tm 0.85736072214780 0.41666666666667 0.70073904419129 168.934 > 1 9 Tm 0.85736072214780 0.75000000000000 0.70073904419129 168.934 > 1 10 Tm 0.35736072214780 0.08333333333333 0.13259428914205 168.934 > 10 11 Tm 0.35736072214780 0.41666666666667 0.13259428914205 168.934 > 10 12 Tm 0.35736072214780 0.75000000000000 0.13259428914205 168.934 > 10 13 Tm 0.35736072214780 0.08333333333333 0.46592762247538 168.934 > 10 14 Tm 0.35736072214780 0.41666666666667 0.46592762247538 168.934 > 10 15 Tm 0.35736072214780 0.75000000000000 0.46592762247538 168.934 > 10 16 Tm 0.35736072214780 0.08333333333333 0.79926095580871 168.934 > 10 17 Tm 0.35736072214780 0.41666666666667 0.79926095580871 168.934 > 10 18 Tm 0.35736072214780 0.75000000000000 0.79926095580871 168.934 > 10 19 Tm 0.64263927785220 0.25000000000000 0.20073904419129 168.934 > 19 20 Tm 0.64263927785220 0.58333333333333 0.20073904419129 168.934 > 19 21 Tm 0.64263927785220 0.91666666666667 0.20073904419129 168.934 > 19 22 Tm 0.64263927785220 0.25000000000000 0.53407237752462 168.934 > 19 23 Tm 0.64263927785220 0.58333333333333 0.53407237752462 168.934 > 19 24 Tm 0.64263927785220 0.91666666666667 0.53407237752462 168.934 > 19 25 Tm 0.64263927785220 0.25000000000000 0.86740571085795 168.934 > 19 26 Tm 0.64263927785220 0.58333333333333 0.86740571085795 168.934 > 19 27 Tm 0.64263927785220 0.91666666666667 0.86740571085795 168.934 > 19 28 Tm 0.14263927785220 0.25000000000000 0.29926095580871 168.934 > 28 29 Tm 0.14263927785220 0.58333333333333 0.29926095580871 168.934 > 28 30 Tm 0.14263927785220 0.91666666666667 0.29926095580871 168.934 > 28 31 Tm 0.14263927785220 0.25000000000000 0.63259428914205 168.934 > 28 32 Tm 0.14263927785220 0.58333333333333 0.63259428914205 168.934 > 28 33 Tm 0.14263927785220 0.91666666666667 0.63259428914205 168.934 > 28 34 Tm 0.14263927785220 0.25000000000000 0.96592762247538 168.934 > 28 35 Tm 0.14263927785220 0.58333333333333 0.96592762247538 168.934 > 28 36 Tm 0.14263927785220 0.91666666666667 0.96592762247538 168.934 > 28 37 H 0.60364199450594 0.08333333333333 0.04423854770799 1.008 > 37 38 H 0.60364199450594 0.41666666666667 0.04423854770799 1.008 > 37 39 H 0.60364199450594 0.75000000000000 0.04423854770799 1.008 > 37 40 H 0.60364199450594 0.08333333333333 0.37757188104132 1.008 > 37 41 H 0.60364199450594 0.41666666666667 0.37757188104132 1.008 > 37 42 H 0.60364199450594 0.75000000000000 0.37757188104132 1.008 > 37 43 H 0.60364199450594 0.08333333333333 0.71090521437465 1.008 > 37 44 H 0.60364199450594 0.41666666666667 0.71090521437465 1.008 > 37 45 H 0.60364199450594 0.75000000000000 0.71090521437465 1.008 > 37 46 H 0.10364199450594 0.08333333333333 0.12242811895868 1.008 > 46 47 H 0.10364199450594 0.41666666666667 0.12242811895868 1.008 > 46 48 H 0.10364199450594 0.75000000000000 0.12242811895868 1.008 > 46 49 H 0.10364199450594 0.08333333333333 0.45576145229201 1.008 > 46 50 H 0.10364199450594 0.41666666666667 0.45576145229201 1.008 > 46 51 H 0.10364199450594 0.75000000000000 0.45576145229201 1.008 > 46 52 H 0.10364199450594 0.08333333333333 0.78909478562535 1.008 > 46 53 H 0.10364199450594 0.41666666666667 0.78909478562535 1.008 > 46 54 H 0.10364199450594 0.75000000000000 0.78909478562535 1.008 > 46 55 H 0.89635800549406 0.25000000000000 0.21090521437465 1.008 > 55 56 H 0.89635800549406 0.58333333333333 0.21090521437465 1.008 > 55 57 H 0.89635800549406 0.91666666666667 0.21090521437465 1.008 > 55 58 H 0.89635800549406 0.25000000000000 0.54423854770799 1.008 > 55 59 H 0.89635800549406 0.58333333333333 0.54423854770799 1.008 > 55 60 H 0.89635800549406 0.91666666666667 0.54423854770799 1.008 > 55 61 H 0.89635800549406 0.25000000000000 0.87757188104132 1.008 > 55 62 H 0.89635800549406 0.58333333333333 0.87757188104132 1.008 > 55 63 H 0.89635800549406 0.91666666666667 0.87757188104132 1.008 > 55 64 H 0.39635800549406 0.25000000000000 0.28909478562535 1.008 > 64 65 H 0.39635800549406 0.58333333333333 0.28909478562535 1.008 > 64 66 H 0.39635800549406 0.91666666666667 0.28909478562535 1.008 > 64 67 H 0.39635800549406 0.25000000000000 0.62242811895868 1.008 > 64 68 H 0.39635800549406 0.58333333333333 0.62242811895868 1.008 > 64 69 H 0.39635800549406 0.91666666666667 0.62242811895868 1.008 > 64 70 H 0.39635800549406 0.25000000000000 0.95576145229201 1.008 > 64 71 H 0.39635800549406 0.58333333333333 0.95576145229201 1.008 > 64 72 H 0.39635800549406 0.91666666666667 0.95576145229201 1.008 > 64 73 O 0.06894082714036 0.08333333333333 0.05784432579989 15.999 > 73 74 O 0.06894082714036 0.41666666666667 0.05784432579989 15.999 > 73 75 O 0.06894082714036 0.75000000000000 0.05784432579989 15.999 > 73 76 O 0.06894082714036 0.08333333333333 0.39117765913323 15.999 > 73 77 O 0.06894082714036 0.41666666666667 0.39117765913323 15.999 > 73 78 O 0.06894082714036 0.75000000000000 0.39117765913323 15.999 > 73 79 O 0.06894082714036 0.08333333333333 0.72451099246656 15.999 > 73 80 O 0.06894082714036 0.41666666666667 0.72451099246656 15.999 > 73 81 O 0.06894082714036 0.75000000000000 0.72451099246656 15.999 > 73 82 O 0.31284196234831 0.25000000000000 0.04794786134901 15.999 > 82 83 O 0.31284196234831 0.58333333333333 0.04794786134901 15.999 > 82 84 O 0.31284196234831 0.91666666666667 0.04794786134901 15.999 > 82 85 O 0.31284196234831 0.25000000000000 0.38128119468234 15.999 > 82 86 O 0.31284196234831 0.58333333333333 0.38128119468234 15.999 > 82 87 O 0.31284196234831 0.91666666666667 0.38128119468234 15.999 > 82 88 O 0.31284196234831 0.25000000000000 0.71461452801568 15.999 > 82 89 O 0.31284196234831 0.58333333333333 0.71461452801568 15.999 > 82 90 O 0.31284196234831 0.91666666666667 0.71461452801568 15.999 > 82 91 O 0.81284196234831 0.25000000000000 0.11871880531766 15.999 > 91 92 O 0.81284196234831 0.58333333333333 0.11871880531766 15.999 > 91 93 O 0.81284196234831 0.91666666666667 0.11871880531766 15.999 > 91 94 O 0.81284196234831 0.25000000000000 0.45205213865099 15.999 > 91 95 O 0.81284196234831 0.58333333333333 0.45205213865099 15.999 > 91 96 O 0.81284196234831 0.91666666666667 0.45205213865099 15.999 > 91 97 O 0.81284196234831 0.25000000000000 0.78538547198432 15.999 > 91 98 O 0.81284196234831 0.58333333333333 0.78538547198432 15.999 > 91 99 O 0.81284196234831 0.91666666666667 0.78538547198432 15.999 > 91 100 O 0.56894082714036 0.08333333333333 0.10882234086677 15.999 > 100 101 O 0.56894082714036 0.41666666666667 0.10882234086677 15.999 > 100 102 O 0.56894082714036 0.75000000000000 0.10882234086677 15.999 > 100 103 O 0.56894082714036 0.08333333333333 0.44215567420010 15.999 > 100 104 O 0.56894082714036 0.41666666666667 0.44215567420010 15.999 > 100 105 O 0.56894082714036 0.75000000000000 0.44215567420010 15.999 > 100 106 O 0.56894082714036 0.08333333333333 0.77548900753344 15.999 > 100 107 O 0.56894082714036 0.41666666666667 0.77548900753344 15.999 > 100 108 O 0.56894082714036 0.75000000000000 0.77548900753344 15.999 > 100 109 O 0.43105917285964 0.25000000000000 0.22451099246656 15.999 > 109 110 O 0.43105917285964 0.58333333333333 0.22451099246656 15.999 > 109 111 O 0.43105917285964 0.91666666666667 0.22451099246656 15.999 > 109 112 O 0.43105917285964 0.25000000000000 0.55784432579989 15.999 > 109 113 O 0.43105917285964 0.58333333333333 0.55784432579989 15.999 > 109 114 O 0.43105917285964 0.91666666666667 0.55784432579989 15.999 > 109 115 O 0.43105917285964 0.25000000000000 0.89117765913323 15.999 > 109 116 O 0.43105917285964 0.58333333333333 0.89117765913323 15.999 > 109 117 O 0.43105917285964 0.91666666666667 0.89117765913323 15.999 > 109 118 O 0.18715803765169 0.08333333333333 0.21461452801568 15.999 > 118 119 O 0.18715803765169 0.41666666666667 0.21461452801568 15.999 > 118 120 O 0.18715803765169 0.75000000000000 0.21461452801568 15.999 > 118 121 O 0.18715803765169 0.08333333333333 0.54794786134901 15.999 > 118 122 O 0.18715803765169 0.41666666666667 0.54794786134901 15.999 > 118 123 O 0.18715803765169 0.75000000000000 0.54794786134901 15.999 > 118 124 O 0.18715803765169 0.08333333333333 0.88128119468234 15.999 > 118 125 O 0.18715803765169 0.41666666666667 0.88128119468234 15.999 > 118 126 O 0.18715803765169 0.75000000000000 0.88128119468234 15.999 > 118 127 O 0.68715803765169 0.08333333333333 0.28538547198432 15.999 > 127 128 O 0.68715803765169 0.41666666666667 0.28538547198432 15.999 > 127 129 O 0.68715803765169 0.75000000000000 0.28538547198432 15.999 > 127 130 O 0.68715803765169 0.08333333333333 0.61871880531766 15.999 > 127 131 O 0.68715803765169 0.41666666666667 0.61871880531766 15.999 > 127 132 O 0.68715803765169 0.75000000000000 0.61871880531766 15.999 > 127 133 O 0.68715803765169 0.08333333333333 0.95205213865099 15.999 > 127 134 O 0.68715803765169 0.41666666666667 0.95205213865099 15.999 > 127 135 O 0.68715803765169 0.75000000000000 0.95205213865099 15.999 > 127 136 O 0.93105917285964 0.25000000000000 0.27548900753344 15.999 > 136 137 O 0.93105917285964 0.58333333333333 0.27548900753344 15.999 > 136 138 O 0.93105917285964 0.91666666666667 0.27548900753344 15.999 > 136 139 O 0.93105917285964 0.25000000000000 0.60882234086677 15.999 > 136 140 O 0.93105917285964 0.58333333333333 0.60882234086677 15.999 > 136 141 O 0.93105917285964 0.91666666666667 0.60882234086677 15.999 > 136 142 O 0.93105917285964 0.25000000000000 0.94215567420010 15.999 > 136 143 O 0.93105917285964 0.58333333333333 0.94215567420010 15.999 > 136 144 O 0.93105917285964 0.91666666666667 0.94215567420010 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5185316 0.0000000 0.0000000 0.0000000 3.6402264 0.0000000 0.0000000 0.0000000 3.5212066 -------------------------- Born effective charges -------------------------- 1 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 2 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 3 Tm 3.6399541 0.0000000 0.0584167 0.0000000 4.0455393 0.0000000 -0.0049467 0.0000000 3.2256532 4 Tm 3.6399541 0.0000000 -0.0584167 0.0000000 4.0455393 0.0000000 0.0049467 0.0000000 3.2256532 5 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 6 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 7 H 0.5915820 0.0000000 0.6259721 0.0000000 0.2453041 0.0000000 0.6258948 0.0000000 1.4298685 8 H 0.5915820 0.0000000 -0.6259721 0.0000000 0.2453041 0.0000000 -0.6258948 0.0000000 1.4298685 9 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 10 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 11 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 12 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 13 O -2.2008585 0.0000000 0.2292781 0.0000000 -1.8021269 0.0000000 0.2295300 0.0000000 -2.0876738 14 O -2.0306775 0.0000000 0.4552413 0.0000000 -2.4887165 0.0000000 0.4567350 0.0000000 -2.5678479 15 O -2.0306775 0.0000000 -0.4552413 0.0000000 -2.4887165 0.0000000 -0.4567350 0.0000000 -2.5678479 16 O -2.2008585 0.0000000 -0.2292781 0.0000000 -1.8021269 0.0000000 -0.2295300 0.0000000 -2.0876738 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 5 15 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.74, Number of G-points: 317, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 0.000 0.000) 0.000 10.997 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 12.120 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.725 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 17.611 ( 0.000 0.000 0.000) 0.000 17.623 ( 0.000 0.000 0.000) 0.000 28.234 ( 0.000 0.000 0.000) 0.000 28.329 ( 0.000 0.000 0.000) 0.000 29.108 ( 0.000 0.000 0.000) 0.000 29.179 ( 0.000 0.000 0.000) 0.000 31.222 ( 0.000 0.000 0.000) 0.000 31.880 ( 0.000 0.000 0.000) 0.000 32.720 ( 0.000 0.000 0.000) 0.000 32.906 ( 0.000 0.000 0.000) 0.000 83.285 ( 0.000 0.000 0.000) 0.000 83.397 ( 0.000 0.000 0.000) 0.000 83.858 ( 0.000 0.000 0.000) 0.000 83.891 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 24.561 0.000 0.000) 24.561 0.536 ( 27.846 0.000 0.000) 27.846 0.834 ( 42.514 0.000 0.000) 42.514 1.679 ( -9.702 0.000 0.000) 9.702 1.866 ( -16.766 0.000 0.000) 16.766 2.552 ( 9.457 0.000 0.000) 9.457 2.916 ( -2.585 0.000 0.000) 2.585 3.215 ( -34.426 0.000 0.000) 34.426 3.522 ( 8.053 0.000 0.000) 8.053 4.022 ( -2.867 0.000 0.000) 2.867 4.291 ( 17.306 0.000 0.000) 17.306 4.826 ( -2.534 0.000 0.000) 2.534 7.167 ( 5.861 0.000 0.000) 5.861 7.472 ( 3.063 0.000 0.000) 3.063 7.700 ( -7.433 0.000 0.000) 7.433 7.778 ( -4.719 0.000 0.000) 4.719 8.593 ( 3.240 0.000 0.000) 3.240 8.779 ( -1.638 0.000 0.000) 1.638 8.881 ( 5.031 0.000 0.000) 5.031 9.193 ( -2.879 0.000 0.000) 2.879 10.981 ( -0.977 0.000 0.000) 0.977 10.992 ( -0.477 0.000 0.000) 0.477 11.340 ( 10.469 0.000 0.000) 10.469 12.125 ( 0.504 0.000 0.000) 0.504 12.187 ( -1.482 0.000 0.000) 1.482 12.270 ( 1.983 0.000 0.000) 1.983 12.372 ( -20.488 0.000 0.000) 20.488 12.373 ( -0.991 0.000 0.000) 0.991 13.310 ( 14.000 0.000 0.000) 14.000 13.714 ( -1.349 0.000 0.000) 1.349 14.389 ( 1.300 0.000 0.000) 1.300 14.549 ( -2.133 0.000 0.000) 2.133 14.890 ( 0.596 0.000 0.000) 0.596 14.979 ( -1.649 0.000 0.000) 1.649 17.661 ( 3.833 0.000 0.000) 3.833 17.952 ( -3.253 0.000 0.000) 3.253 28.243 ( 0.870 0.000 0.000) 0.870 28.319 ( -0.992 0.000 0.000) 0.992 29.116 ( 0.753 0.000 0.000) 0.753 29.173 ( -0.630 0.000 0.000) 0.630 31.907 ( 2.834 0.000 0.000) 2.834 32.185 ( -4.263 0.000 0.000) 4.263 32.748 ( 2.678 0.000 0.000) 2.678 32.895 ( -1.246 0.000 0.000) 1.246 83.313 ( 2.925 0.000 0.000) 2.925 83.687 ( -9.401 0.000 0.000) 9.401 84.067 ( 9.950 0.000 0.000) 9.950 84.486 ( -3.482 0.000 0.000) 3.482 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 22.257 0.000 0.000) 22.257 1.043 ( 25.577 0.000 0.000) 25.577 1.272 ( -10.892 0.000 0.000) 10.892 1.495 ( -22.062 0.000 0.000) 22.062 1.773 ( 34.918 0.000 0.000) 34.918 2.514 ( -39.285 0.000 0.000) 39.285 2.719 ( 7.826 0.000 0.000) 7.826 2.842 ( -5.218 0.000 0.000) 5.218 3.708 ( 10.724 0.000 0.000) 10.724 3.899 ( -8.917 0.000 0.000) 8.917 4.575 ( 11.951 0.000 0.000) 11.951 4.745 ( -6.341 0.000 0.000) 6.341 7.320 ( 9.912 0.000 0.000) 9.912 7.521 ( -10.752 0.000 0.000) 10.752 7.554 ( 5.451 0.000 0.000) 5.451 7.668 ( -6.362 0.000 0.000) 6.362 8.665 ( 3.996 0.000 0.000) 3.996 8.733 ( -3.118 0.000 0.000) 3.118 8.997 ( 6.614 0.000 0.000) 6.614 9.114 ( -5.403 0.000 0.000) 5.403 10.973 ( 0.110 0.000 0.000) 0.110 10.981 ( -0.618 0.000 0.000) 0.618 11.604 ( 17.072 0.000 0.000) 17.072 11.969 ( -21.051 0.000 0.000) 21.051 12.139 ( 0.949 0.000 0.000) 0.949 12.160 ( -1.300 0.000 0.000) 1.300 12.310 ( 2.104 0.000 0.000) 2.104 12.347 ( -1.744 0.000 0.000) 1.744 13.539 ( 9.439 0.000 0.000) 9.439 13.665 ( -4.219 0.000 0.000) 4.219 14.430 ( 2.975 0.000 0.000) 2.975 14.494 ( -3.478 0.000 0.000) 3.478 14.908 ( 1.387 0.000 0.000) 1.387 14.941 ( -2.056 0.000 0.000) 2.056 17.756 ( 5.866 0.000 0.000) 5.866 17.867 ( -5.512 0.000 0.000) 5.512 28.265 ( 1.459 0.000 0.000) 1.459 28.294 ( -1.534 0.000 0.000) 1.534 29.134 ( 1.146 0.000 0.000) 1.146 29.156 ( -1.071 0.000 0.000) 1.071 31.983 ( 4.966 0.000 0.000) 4.966 32.086 ( -5.718 0.000 0.000) 5.718 32.806 ( 3.152 0.000 0.000) 3.152 32.860 ( -2.398 0.000 0.000) 2.398 83.394 ( 5.616 0.000 0.000) 5.616 83.522 ( -7.847 0.000 0.000) 7.847 84.246 ( 8.739 0.000 0.000) 8.739 84.391 ( -6.512 0.000 0.000) 6.512 ======================= Grid point 5 (4/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 24.460 0.000) 24.460 0.555 ( 0.000 28.174 0.000) 28.174 1.072 ( 0.000 54.478 0.000) 54.478 1.843 ( 0.000 5.942 0.000) 5.942 2.181 ( 0.000 10.934 0.000) 10.934 2.572 ( 0.000 13.567 0.000) 13.567 3.102 ( 0.000 13.884 0.000) 13.884 3.418 ( 0.000 5.153 0.000) 5.153 3.850 ( 0.000 6.159 0.000) 6.159 3.865 ( 0.000 7.499 0.000) 7.499 4.106 ( 0.000 -2.395 0.000) 2.395 4.826 ( 0.000 -2.367 0.000) 2.367 7.152 ( 0.000 4.363 0.000) 4.363 7.630 ( 0.000 -11.668 0.000) 11.668 7.799 ( 0.000 -2.504 0.000) 2.504 8.208 ( 0.000 -1.678 0.000) 1.678 8.771 ( 0.000 18.229 0.000) 18.229 8.867 ( 0.000 6.900 0.000) 6.900 8.883 ( 0.000 5.258 0.000) 5.258 9.865 ( 0.000 1.315 0.000) 1.315 9.972 ( 0.000 -7.794 0.000) 7.794 10.994 ( 0.000 -0.461 0.000) 0.461 11.022 ( 0.000 2.153 0.000) 2.153 11.251 ( 0.000 1.857 0.000) 1.857 11.904 ( 0.000 -28.261 0.000) 28.261 12.190 ( 0.000 6.950 0.000) 6.950 12.282 ( 0.000 7.548 0.000) 7.548 12.622 ( 0.000 -0.673 0.000) 0.673 13.131 ( 0.000 -2.048 0.000) 2.048 14.066 ( 0.000 27.973 0.000) 27.973 14.492 ( 0.000 -7.815 0.000) 7.815 14.859 ( 0.000 -2.502 0.000) 2.502 14.955 ( 0.000 -3.975 0.000) 3.975 16.252 ( 0.000 -1.363 0.000) 1.363 17.537 ( 0.000 -8.534 0.000) 8.534 17.545 ( 0.000 -6.679 0.000) 6.679 28.306 ( 0.000 7.139 0.000) 7.139 29.147 ( 0.000 3.923 0.000) 3.923 29.171 ( 0.000 3.189 0.000) 3.189 29.219 ( 0.000 4.077 0.000) 4.077 31.241 ( 0.000 1.906 0.000) 1.906 31.860 ( 0.000 -1.901 0.000) 1.901 32.701 ( 0.000 -1.949 0.000) 1.949 32.862 ( 0.000 -4.402 0.000) 4.402 83.280 ( 0.000 -0.535 0.000) 0.535 83.386 ( 0.000 -1.026 0.000) 1.026 83.824 ( 0.000 -3.280 0.000) 3.280 83.847 ( 0.000 -4.239 0.000) 4.239 ======================= Grid point 6 (5/144) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 17.073 16.708 0.000) 23.888 0.745 ( 18.398 19.125 0.000) 26.538 1.354 ( 23.846 41.496 0.000) 47.860 1.735 ( -8.509 7.006 0.000) 11.022 1.980 ( -17.170 10.262 0.000) 20.003 2.702 ( 9.673 14.023 0.000) 17.036 3.085 ( -2.174 15.289 0.000) 15.443 3.321 ( -31.371 11.284 0.000) 33.339 3.508 ( 8.420 1.688 0.000) 8.588 4.024 ( -4.270 0.027 0.000) 4.270 4.300 ( 17.411 1.540 0.000) 17.479 4.804 ( -2.347 -2.121 0.000) 3.163 7.192 ( 4.238 3.277 0.000) 5.357 7.581 ( -4.929 -9.638 0.000) 10.825 7.769 ( -3.030 -1.185 0.000) 3.254 7.831 ( -18.604 18.162 0.000) 25.999 8.742 ( -1.527 11.853 0.000) 11.951 8.778 ( -3.073 1.705 0.000) 3.514 8.966 ( 6.902 9.454 0.000) 11.706 9.378 ( -8.874 14.087 0.000) 16.650 10.944 ( 9.224 -14.272 0.000) 16.993 10.980 ( -0.850 -0.218 0.000) 0.878 11.222 ( 35.610 -38.228 0.000) 52.244 11.354 ( 10.160 1.430 0.000) 10.260 11.895 ( -1.085 -29.377 0.000) 29.397 12.197 ( 0.777 6.874 0.000) 6.918 12.273 ( -0.965 7.205 0.000) 7.269 12.374 ( -19.726 -0.214 0.000) 19.727 13.366 ( 17.953 -1.857 0.000) 18.049 14.035 ( -3.575 22.693 0.000) 22.973 14.517 ( 2.927 -0.864 0.000) 3.051 14.863 ( 0.387 -2.685 0.000) 2.713 14.940 ( -1.508 -3.814 0.000) 4.101 15.446 ( -45.334 43.753 0.000) 63.004 17.572 ( 3.450 -8.864 0.000) 9.512 17.735 ( 5.409 -16.041 0.000) 16.928 28.320 ( 1.497 7.643 0.000) 7.788 28.693 ( -21.343 22.796 0.000) 31.228 29.159 ( 0.710 4.337 0.000) 4.395 29.214 ( -0.607 4.099 0.000) 4.144 31.773 ( 22.378 -22.579 0.000) 31.790 31.881 ( 2.109 -2.497 0.000) 3.268 32.712 ( 1.594 -2.572 0.000) 3.026 32.850 ( -1.272 -4.392 0.000) 4.573 83.307 ( 2.857 -0.651 0.000) 2.930 83.665 ( -8.785 -2.178 0.000) 9.051 83.891 ( 26.305 -29.631 0.000) 39.623 84.000 ( 7.946 -6.457 0.000) 10.239 ======================= Grid point 7 (6/144) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 19.660 10.038 0.000) 22.074 1.150 ( 21.246 10.394 0.000) 23.652 1.393 ( -14.325 9.891 0.000) 17.408 1.606 ( -21.666 9.743 0.000) 23.756 2.019 ( 33.384 25.321 0.000) 41.901 2.671 ( -32.919 16.076 0.000) 36.635 2.893 ( 6.106 16.666 0.000) 17.750 3.014 ( -5.276 16.175 0.000) 17.014 3.698 ( 10.832 -0.152 0.000) 10.833 3.892 ( -9.092 -0.526 0.000) 9.107 4.572 ( 11.198 0.021 0.000) 11.198 4.730 ( -5.824 -1.348 0.000) 5.978 7.307 ( 7.533 -0.274 0.000) 7.538 7.457 ( -7.774 -5.096 0.000) 9.295 7.671 ( -1.373 9.111 0.000) 9.213 7.702 ( -3.435 2.545 0.000) 4.275 8.730 ( 0.200 5.581 0.000) 5.585 8.744 ( -1.164 1.390 0.000) 1.812 9.109 ( 7.733 11.270 0.000) 13.668 9.247 ( -6.734 12.298 0.000) 14.021 10.973 ( 0.018 -0.255 0.000) 0.256 10.976 ( -0.098 -1.249 0.000) 1.253 11.608 ( 15.853 -0.314 0.000) 15.856 11.683 ( 12.603 -40.880 0.000) 42.779 11.855 ( -3.197 -32.280 0.000) 32.438 11.988 ( -19.573 -0.689 0.000) 19.585 12.219 ( 1.432 6.631 0.000) 6.783 12.248 ( -1.527 6.652 0.000) 6.825 13.688 ( 15.041 2.237 0.000) 15.206 13.917 ( -9.111 11.303 0.000) 14.518 14.619 ( 8.425 15.804 0.000) 17.910 14.866 ( -18.509 32.259 0.000) 37.192 14.877 ( 0.402 -0.894 0.000) 0.981 14.906 ( -1.858 -3.433 0.000) 3.903 17.655 ( 4.953 -9.913 0.000) 11.082 17.738 ( -3.194 -12.095 0.000) 12.510 28.364 ( 3.297 9.517 0.000) 10.072 28.455 ( -7.051 14.224 0.000) 15.876 29.177 ( 1.097 4.249 0.000) 4.389 29.198 ( -1.029 4.161 0.000) 4.287 31.931 ( 2.736 -4.801 0.000) 5.526 31.956 ( 1.455 -11.015 0.000) 11.111 32.760 ( 3.089 -3.988 0.000) 5.045 32.815 ( -2.475 -4.349 0.000) 5.003 83.386 ( 5.452 -0.861 0.000) 5.519 83.509 ( -7.510 -1.314 0.000) 7.624 84.123 ( 4.647 -11.174 0.000) 12.102 84.145 ( 3.735 -19.955 0.000) 20.302 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 25.761 0.000) 25.761 1.092 ( 0.000 26.815 0.000) 26.815 1.980 ( 0.000 13.399 0.000) 13.399 2.131 ( 0.000 48.250 0.000) 48.250 2.418 ( 0.000 11.713 0.000) 11.713 2.860 ( 0.000 13.460 0.000) 13.460 3.274 ( 0.000 2.883 0.000) 2.883 3.734 ( 0.000 26.669 0.000) 26.669 4.025 ( 0.000 0.409 0.000) 0.409 4.085 ( 0.000 12.515 0.000) 12.515 4.106 ( 0.000 17.477 0.000) 17.477 4.757 ( 0.000 -4.645 0.000) 4.645 7.281 ( 0.000 8.800 0.000) 8.800 7.405 ( 0.000 -10.498 0.000) 10.498 7.742 ( 0.000 -3.158 0.000) 3.158 8.155 ( 0.000 -3.904 0.000) 3.904 9.021 ( 0.000 8.622 0.000) 8.622 9.030 ( 0.000 9.015 0.000) 9.015 9.166 ( 0.000 20.890 0.000) 20.890 9.776 ( 0.000 -11.593 0.000) 11.593 9.934 ( 0.000 6.157 0.000) 6.157 10.971 ( 0.000 -2.094 0.000) 2.094 11.058 ( 0.000 1.073 0.000) 1.073 11.296 ( 0.000 -6.590 0.000) 6.590 11.334 ( 0.000 -18.815 0.000) 18.815 12.379 ( 0.000 12.170 0.000) 12.170 12.491 ( 0.000 13.439 0.000) 13.439 12.604 ( 0.000 -1.073 0.000) 1.073 13.074 ( 0.000 -3.698 0.000) 3.698 14.277 ( 0.000 -13.905 0.000) 13.905 14.611 ( 0.000 23.532 0.000) 23.532 14.789 ( 0.000 -4.597 0.000) 4.597 14.862 ( 0.000 -3.174 0.000) 3.174 16.211 ( 0.000 -2.816 0.000) 2.816 17.306 ( 0.000 -14.664 0.000) 14.664 17.358 ( 0.000 -12.249 0.000) 12.249 28.498 ( 0.000 12.195 0.000) 12.195 29.255 ( 0.000 6.926 0.000) 6.926 29.260 ( 0.000 5.852 0.000) 5.852 29.330 ( 0.000 6.976 0.000) 6.976 31.296 ( 0.000 3.748 0.000) 3.748 31.814 ( 0.000 -2.558 0.000) 2.558 32.646 ( 0.000 -3.666 0.000) 3.666 32.744 ( 0.000 -7.496 0.000) 7.496 83.266 ( 0.000 -0.917 0.000) 0.917 83.358 ( 0.000 -1.786 0.000) 1.786 83.740 ( 0.000 -5.026 0.000) 5.026 83.742 ( 0.000 -6.149 0.000) 6.149 ======================= Grid point 11 (8/144) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.872 22.950 0.000) 24.983 1.172 ( 8.862 23.322 0.000) 24.949 1.873 ( -10.855 11.738 0.000) 15.988 2.195 ( -18.524 10.504 0.000) 21.295 2.287 ( 15.757 46.859 0.000) 49.437 3.010 ( 10.835 15.118 0.000) 18.600 3.321 ( 3.774 4.925 0.000) 6.205 3.662 ( -23.298 22.702 0.000) 32.530 3.728 ( -0.110 22.759 0.000) 22.759 4.015 ( -4.645 -0.510 0.000) 4.673 4.399 ( 13.788 9.946 0.000) 17.000 4.748 ( -1.062 -3.368 0.000) 3.531 7.292 ( 1.185 6.905 0.000) 7.006 7.393 ( -1.235 -8.849 0.000) 8.935 7.739 ( -0.062 -1.623 0.000) 1.624 8.024 ( -11.651 3.543 0.000) 12.178 8.855 ( -8.640 5.617 0.000) 10.305 8.950 ( -5.321 9.726 0.000) 11.086 9.255 ( 7.162 18.346 0.000) 19.695 9.643 ( -5.392 12.443 0.000) 13.561 10.406 ( 28.582 -23.184 0.000) 36.802 10.962 ( -0.784 -2.074 0.000) 2.217 11.073 ( 1.554 -0.330 0.000) 1.588 11.292 ( -2.206 -27.273 0.000) 27.362 11.408 ( 9.146 1.265 0.000) 9.233 12.365 ( -15.861 1.423 0.000) 15.924 12.391 ( -2.173 10.567 0.000) 10.789 12.476 ( -1.423 13.229 0.000) 13.306 13.293 ( 17.171 -5.152 0.000) 17.927 14.155 ( -10.490 -9.152 0.000) 13.921 14.730 ( 8.894 12.772 0.000) 15.564 14.788 ( -0.106 -4.890 0.000) 4.891 14.870 ( 2.226 3.703 0.000) 4.320 15.913 ( -25.266 10.931 0.000) 27.530 17.333 ( 2.673 -15.051 0.000) 15.286 17.421 ( 3.713 -16.290 0.000) 16.708 28.523 ( 2.628 12.667 0.000) 12.937 29.031 ( -16.692 13.307 0.000) 21.347 29.276 ( 0.672 7.329 0.000) 7.360 29.325 ( -0.544 7.015 0.000) 7.036 31.518 ( 16.630 -5.579 0.000) 17.541 31.822 ( 0.649 -3.223 0.000) 3.288 32.649 ( 0.488 -3.973 0.000) 4.003 32.734 ( -1.060 -7.294 0.000) 7.370 83.290 ( 2.647 -1.053 0.000) 2.849 83.540 ( 15.058 -10.231 0.000) 18.204 83.608 ( -7.264 -3.432 0.000) 8.034 83.844 ( 4.052 -8.732 0.000) 9.626 ======================= Grid point 12 (9/144) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 14.830 17.932 0.000) 23.269 1.416 ( 14.609 16.096 0.000) 21.737 1.622 ( -12.936 13.716 0.000) 18.853 1.814 ( -20.543 11.022 0.000) 23.313 2.671 ( 23.467 38.548 0.000) 45.129 3.092 ( -13.597 23.813 0.000) 27.422 3.302 ( -3.557 23.971 0.000) 24.234 3.353 ( -1.601 13.742 0.000) 13.835 3.768 ( 5.075 10.259 0.000) 11.446 3.897 ( -7.381 1.832 0.000) 7.605 4.603 ( 7.963 4.292 0.000) 9.046 4.708 ( -3.504 -0.150 0.000) 3.507 7.323 ( 1.946 1.813 0.000) 2.660 7.361 ( -1.999 -4.286 0.000) 4.729 7.751 ( 1.790 2.383 0.000) 2.980 7.830 ( -7.220 6.484 0.000) 9.704 8.796 ( 1.006 4.079 0.000) 4.201 8.854 ( -4.524 7.115 0.000) 8.432 9.400 ( 7.752 17.224 0.000) 18.888 9.536 ( -6.428 16.204 0.000) 17.433 10.806 ( 12.956 -20.986 0.000) 24.663 10.935 ( -2.744 -5.908 0.000) 6.514 11.125 ( 4.284 -10.405 0.000) 11.252 11.222 ( -5.019 -25.370 0.000) 25.861 11.651 ( 16.054 1.631 0.000) 16.136 11.994 ( -19.706 0.785 0.000) 19.722 12.409 ( 1.528 12.465 0.000) 12.558 12.443 ( -1.924 12.805 0.000) 12.949 13.624 ( 17.026 -6.958 0.000) 18.393 13.921 ( -14.157 -7.712 0.000) 16.121 14.789 ( 0.300 -5.635 0.000) 5.643 14.797 ( -0.162 -5.994 0.000) 5.996 15.062 ( 16.492 22.920 0.000) 28.236 15.438 ( -23.103 21.892 0.000) 31.828 17.395 ( 3.447 -16.078 0.000) 16.444 17.444 ( -1.181 -17.201 0.000) 17.242 28.602 ( 5.962 14.077 0.000) 15.287 28.760 ( -11.185 15.760 0.000) 19.326 29.292 ( 0.974 7.264 0.000) 7.329 29.310 ( -0.918 7.123 0.000) 7.182 31.755 ( 7.527 -8.177 0.000) 11.113 31.825 ( -0.929 -5.330 0.000) 5.410 32.669 ( 1.681 -5.232 0.000) 5.495 32.705 ( -1.868 -6.588 0.000) 6.847 83.363 ( 5.026 -1.406 0.000) 5.219 83.475 ( -6.654 -2.119 0.000) 6.983 83.786 ( 9.190 -15.204 0.000) 17.766 83.878 ( -1.000 -12.613 0.000) 12.652 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 24.903 0.000) 24.903 1.595 ( 0.000 24.852 0.000) 24.852 2.194 ( 0.000 11.007 0.000) 11.007 2.608 ( 0.000 7.915 0.000) 7.915 3.047 ( 0.000 5.904 0.000) 5.904 3.088 ( 0.000 46.500 0.000) 46.500 3.299 ( 0.000 0.501 0.000) 0.501 3.942 ( 0.000 -5.404 0.000) 5.404 4.317 ( 0.000 31.037 0.000) 31.037 4.513 ( 0.000 26.770 0.000) 26.770 4.531 ( 0.000 25.215 0.000) 25.215 4.651 ( 0.000 -5.943 0.000) 5.943 7.236 ( 0.000 -6.638 0.000) 6.638 7.492 ( 0.000 12.790 0.000) 12.790 7.682 ( 0.000 -2.871 0.000) 2.871 8.059 ( 0.000 -5.598 0.000) 5.598 9.204 ( 0.000 8.887 0.000) 8.887 9.211 ( 0.000 10.719 0.000) 10.719 9.542 ( 0.000 -11.946 0.000) 11.946 9.551 ( 0.000 18.192 0.000) 18.192 10.094 ( 0.000 9.371 0.000) 9.371 10.796 ( 0.000 -24.073 0.000) 24.073 10.907 ( 0.000 -4.573 0.000) 4.573 11.051 ( 0.000 -1.958 0.000) 1.958 11.406 ( 0.000 5.823 0.000) 5.823 12.583 ( 0.000 -1.041 0.000) 1.041 12.651 ( 0.000 15.357 0.000) 15.357 12.783 ( 0.000 15.916 0.000) 15.916 12.992 ( 0.000 -4.452 0.000) 4.452 13.966 ( 0.000 -17.530 0.000) 17.530 14.659 ( 0.000 -7.815 0.000) 7.815 14.684 ( 0.000 -6.103 0.000) 6.103 15.124 ( 0.000 19.168 0.000) 19.168 16.143 ( 0.000 -4.120 0.000) 4.120 16.988 ( 0.000 -17.418 0.000) 17.418 17.081 ( 0.000 -15.815 0.000) 15.815 28.763 ( 0.000 14.557 0.000) 14.557 29.392 ( 0.000 7.532 0.000) 7.532 29.407 ( 0.000 8.407 0.000) 8.407 29.479 ( 0.000 8.019 0.000) 8.019 31.386 ( 0.000 5.403 0.000) 5.403 31.770 ( 0.000 -1.763 0.000) 1.763 32.561 ( 0.000 -4.988 0.000) 4.988 32.581 ( 0.000 -8.891 0.000) 8.891 83.246 ( 0.000 -1.062 0.000) 1.062 83.320 ( 0.000 -2.122 0.000) 2.122 83.624 ( 0.000 -5.612 0.000) 5.612 83.640 ( 0.000 -5.014 0.000) 5.014 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 6.292 23.593 0.000) 24.417 1.627 ( 3.764 23.041 0.000) 23.346 2.110 ( -8.320 12.641 0.000) 15.133 2.377 ( -18.115 8.465 0.000) 19.995 3.184 ( 9.597 42.936 0.000) 43.995 3.231 ( 13.105 7.214 0.000) 14.959 3.357 ( 5.657 1.156 0.000) 5.774 3.896 ( -4.938 -2.669 0.000) 5.613 4.229 ( -7.693 23.524 0.000) 24.750 4.268 ( -14.025 29.054 0.000) 32.262 4.706 ( 7.151 20.887 0.000) 22.077 4.708 ( 4.549 1.884 0.000) 4.924 7.251 ( 1.566 -5.560 0.000) 5.777 7.452 ( -3.804 9.122 0.000) 9.884 7.708 ( 2.789 -1.572 0.000) 3.202 8.033 ( -3.533 -1.222 0.000) 3.739 8.977 ( -11.047 6.525 0.000) 12.830 9.147 ( -6.018 10.734 0.000) 12.306 9.612 ( 5.625 17.381 0.000) 18.269 9.792 ( 11.445 -0.570 0.000) 11.460 10.143 ( 7.641 -1.636 0.000) 7.814 10.750 ( -4.755 -22.274 0.000) 22.776 10.933 ( 2.491 -5.382 0.000) 5.930 11.051 ( -0.219 -2.273 0.000) 2.283 11.481 ( 7.905 4.809 0.000) 9.253 12.364 ( -17.479 -0.052 0.000) 17.479 12.663 ( 0.987 15.643 0.000) 15.674 12.766 ( -1.656 15.915 0.000) 16.000 13.176 ( 14.247 -6.708 0.000) 15.748 13.892 ( -7.481 -16.169 0.000) 17.816 14.659 ( -0.039 -8.064 0.000) 8.064 14.677 ( -0.680 -6.367 0.000) 6.403 15.213 ( 8.966 18.165 0.000) 20.258 16.014 ( -12.351 1.190 0.000) 12.408 17.009 ( 1.997 -17.713 0.000) 17.825 17.094 ( 0.791 -17.339 0.000) 17.357 28.793 ( 3.255 14.699 0.000) 15.055 29.259 ( -10.594 10.740 0.000) 15.086 29.432 ( 0.859 8.430 0.000) 8.474 29.475 ( -0.447 8.078 0.000) 8.090 31.489 ( 9.084 1.563 0.000) 9.217 31.768 ( -0.408 -2.101 0.000) 2.141 32.558 ( -0.178 -5.250 0.000) 5.253 32.577 ( -0.450 -8.538 0.000) 8.550 83.268 ( 2.392 -1.149 0.000) 2.653 83.402 ( 7.641 -5.013 0.000) 9.139 83.539 ( -5.517 -3.489 0.000) 6.527 83.683 ( 1.004 -7.507 0.000) 7.574 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 10.425 20.323 0.000) 22.841 1.752 ( 8.849 18.033 0.000) 20.087 1.918 ( -10.206 16.170 0.000) 19.122 2.036 ( -16.511 12.038 0.000) 20.433 3.392 ( 8.940 23.687 0.000) 25.317 3.423 ( 5.425 8.708 0.000) 10.259 3.502 ( 10.696 13.295 0.000) 17.063 3.743 ( -11.733 13.049 0.000) 17.548 4.058 ( -5.614 21.182 0.000) 21.913 4.082 ( -6.413 17.238 0.000) 18.392 4.781 ( 2.552 9.731 0.000) 10.060 4.790 ( 1.820 15.560 0.000) 15.666 7.296 ( 3.202 -2.364 0.000) 3.980 7.370 ( -4.451 2.771 0.000) 5.243 7.789 ( 5.797 1.461 0.000) 5.978 7.920 ( -7.482 3.117 0.000) 8.105 8.907 ( 2.613 7.310 0.000) 7.763 9.014 ( -7.326 9.434 0.000) 11.944 9.733 ( 6.594 16.197 0.000) 17.487 9.837 ( -3.535 13.652 0.000) 14.102 10.385 ( 14.317 -18.165 0.000) 23.129 10.615 ( -9.671 -20.898 0.000) 23.027 10.988 ( 2.983 -4.628 0.000) 5.506 11.034 ( -1.702 -3.251 0.000) 3.670 11.697 ( 14.631 2.923 0.000) 14.920 12.015 ( -18.434 1.328 0.000) 18.481 12.689 ( 1.774 15.843 0.000) 15.942 12.728 ( -2.208 15.905 0.000) 16.058 13.451 ( 14.344 -10.328 0.000) 17.676 13.703 ( -12.019 -13.544 0.000) 18.108 14.658 ( 0.051 -7.802 0.000) 7.802 14.664 ( -0.580 -7.047 0.000) 7.071 15.440 ( 14.418 15.174 0.000) 20.932 15.734 ( -16.095 9.606 0.000) 18.743 17.054 ( 2.527 -18.354 0.000) 18.527 17.092 ( -1.155 -18.586 0.000) 18.622 28.888 ( 6.807 14.878 0.000) 16.361 29.051 ( -10.339 14.079 0.000) 17.468 29.448 ( 0.833 8.416 0.000) 8.457 29.463 ( -0.754 8.234 0.000) 8.268 31.654 ( 7.093 -2.379 0.000) 7.481 31.743 ( -2.619 -2.803 0.000) 3.837 32.558 ( 0.218 -6.175 0.000) 6.179 32.566 ( -0.606 -7.516 0.000) 7.541 83.334 ( 4.499 -1.500 0.000) 4.742 83.431 ( -5.628 -2.215 0.000) 6.048 83.557 ( 7.574 -8.779 0.000) 11.595 83.662 ( -3.314 -9.266 0.000) 9.840 ======================= Grid point 20 (13/144) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 0.000 21.594 0.000) 21.594 2.058 ( 0.000 22.654 0.000) 22.654 2.409 ( 0.000 10.863 0.000) 10.863 2.745 ( 0.000 6.702 0.000) 6.702 3.112 ( 0.000 1.359 0.000) 1.359 3.303 ( 0.000 -0.091 0.000) 0.091 3.824 ( 0.000 -6.779 0.000) 6.779 3.869 ( 0.000 29.485 0.000) 29.485 4.576 ( 0.000 2.070 0.000) 2.070 4.895 ( 0.000 27.524 0.000) 27.524 5.041 ( 0.000 26.045 0.000) 26.045 5.057 ( 0.000 27.641 0.000) 27.641 7.151 ( 0.000 -2.107 0.000) 2.107 7.629 ( 0.000 -2.601 0.000) 2.601 7.766 ( 0.000 14.758 0.000) 14.758 7.955 ( 0.000 -4.609 0.000) 4.609 9.329 ( 0.000 -9.473 0.000) 9.473 9.381 ( 0.000 9.282 0.000) 9.282 9.433 ( 0.000 11.882 0.000) 11.882 9.862 ( 0.000 13.384 0.000) 13.384 10.258 ( 0.000 6.629 0.000) 6.629 10.397 ( 0.000 -16.469 0.000) 16.469 10.793 ( 0.000 -7.093 0.000) 7.093 10.981 ( 0.000 -5.252 0.000) 5.252 11.529 ( 0.000 6.686 0.000) 6.686 12.566 ( 0.000 -0.606 0.000) 0.606 12.868 ( 0.000 -2.008 0.000) 2.008 13.003 ( 0.000 14.262 0.000) 14.262 13.078 ( 0.000 12.847 0.000) 12.847 13.618 ( 0.000 -17.004 0.000) 17.004 14.495 ( 0.000 -8.506 0.000) 8.506 14.555 ( 0.000 -7.058 0.000) 7.058 15.431 ( 0.000 12.352 0.000) 12.352 16.055 ( 0.000 -4.734 0.000) 4.734 16.649 ( 0.000 -16.969 0.000) 16.969 16.758 ( 0.000 -16.853 0.000) 16.853 29.051 ( 0.000 14.648 0.000) 14.648 29.545 ( 0.000 7.924 0.000) 7.924 29.572 ( 0.000 8.242 0.000) 8.242 29.630 ( 0.000 7.160 0.000) 7.160 31.504 ( 0.000 6.680 0.000) 6.680 31.751 ( 0.000 -0.162 0.000) 0.162 32.406 ( 0.000 -8.929 0.000) 8.929 32.454 ( 0.000 -5.870 0.000) 5.870 83.226 ( 0.000 -0.979 0.000) 0.979 83.279 ( 0.000 -2.031 0.000) 2.031 83.530 ( 0.000 -3.935 0.000) 3.935 83.552 ( 0.000 -3.950 0.000) 3.950 ======================= Grid point 21 (14/144) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 4.333 20.890 0.000) 21.334 2.063 ( 0.870 21.614 0.000) 21.631 2.358 ( -5.162 12.575 0.000) 13.593 2.542 ( -14.861 8.844 0.000) 17.293 3.305 ( 13.629 1.087 0.000) 13.672 3.345 ( 4.185 -0.764 0.000) 4.255 3.798 ( -2.246 -6.408 0.000) 6.790 3.901 ( 2.396 23.448 0.000) 23.570 4.499 ( -5.277 11.766 0.000) 12.895 4.862 ( -11.397 29.983 0.000) 32.076 4.980 ( 6.831 22.756 0.000) 23.759 5.157 ( 3.241 23.934 0.000) 24.152 7.180 ( 3.174 -1.621 0.000) 3.564 7.619 ( -10.789 7.054 0.000) 12.891 7.677 ( 4.894 -1.763 0.000) 5.202 8.026 ( 2.081 1.536 0.000) 2.587 9.093 ( -8.121 4.930 0.000) 9.501 9.369 ( -6.258 12.006 0.000) 13.538 9.700 ( 17.525 -4.193 0.000) 18.020 9.912 ( 4.735 13.105 0.000) 13.934 10.238 ( -2.101 6.447 0.000) 6.781 10.366 ( -3.385 -16.122 0.000) 16.473 10.824 ( 3.095 -6.574 0.000) 7.266 10.979 ( -0.379 -5.108 0.000) 5.123 11.586 ( 6.086 5.790 0.000) 8.401 12.367 ( -16.031 0.432 0.000) 16.037 12.961 ( 3.686 9.086 0.000) 9.805 13.061 ( 7.765 0.654 0.000) 7.793 13.065 ( -1.286 13.248 0.000) 13.310 13.564 ( -5.488 -16.166 0.000) 17.072 14.496 ( 0.126 -8.387 0.000) 8.388 14.544 ( -1.083 -7.182 0.000) 7.263 15.497 ( 6.605 11.164 0.000) 12.971 15.998 ( -5.844 -2.268 0.000) 6.269 16.664 ( 1.521 -17.179 0.000) 17.247 16.753 ( -0.566 -17.290 0.000) 17.299 29.081 ( 3.199 14.511 0.000) 14.859 29.459 ( -7.071 9.727 0.000) 12.025 29.594 ( 0.933 7.987 0.000) 8.041 29.627 ( -0.298 7.254 0.000) 7.260 31.555 ( 4.722 4.780 0.000) 6.719 31.746 ( -0.674 -0.151 0.000) 0.691 32.409 ( 0.274 -8.593 0.000) 8.597 32.447 ( -0.691 -6.076 0.000) 6.116 83.246 ( 2.220 -1.005 0.000) 2.436 83.325 ( 4.477 -3.175 0.000) 5.489 83.478 ( -4.072 -2.706 0.000) 4.889 83.559 ( -0.692 -5.198 0.000) 5.244 ======================= Grid point 22 (15/144) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.947 18.817 0.000) 20.058 2.108 ( 3.845 18.368 0.000) 18.766 2.235 ( -6.620 16.034 0.000) 17.347 2.288 ( -10.889 13.749 0.000) 17.539 3.443 ( 5.389 -1.666 0.000) 5.641 3.489 ( 3.150 -0.238 0.000) 3.159 3.790 ( 3.537 -3.371 0.000) 4.886 3.895 ( -4.235 6.781 0.000) 7.995 4.476 ( 4.291 27.610 0.000) 27.942 4.639 ( -11.392 32.192 0.000) 34.148 5.102 ( 5.464 20.811 0.000) 21.516 5.172 ( -1.645 21.690 0.000) 21.752 7.271 ( 6.464 -0.075 0.000) 6.465 7.423 ( -9.462 2.657 0.000) 9.828 7.806 ( 8.465 0.222 0.000) 8.468 7.968 ( -7.351 1.969 0.000) 7.610 9.074 ( 5.108 9.597 0.000) 10.871 9.220 ( -8.855 11.577 0.000) 14.575 9.979 ( 10.342 -2.432 0.000) 10.624 10.010 ( 4.483 11.887 0.000) 12.704 10.193 ( -1.323 1.455 0.000) 1.967 10.266 ( -6.807 -14.278 0.000) 15.818 10.895 ( 3.922 -5.557 0.000) 6.802 10.956 ( -2.274 -5.019 0.000) 5.511 11.763 ( 12.568 3.775 0.000) 13.123 12.046 ( -16.851 1.925 0.000) 16.961 13.002 ( 1.687 14.591 0.000) 14.688 13.035 ( -1.755 14.134 0.000) 14.242 13.243 ( 10.065 -9.622 0.000) 13.924 13.424 ( -8.855 -13.774 0.000) 16.375 14.502 ( 0.638 -8.015 0.000) 8.040 14.521 ( -1.237 -7.537 0.000) 7.638 15.659 ( 9.959 7.869 0.000) 12.693 15.849 ( -9.495 2.959 0.000) 9.945 16.700 ( 2.045 -17.613 0.000) 17.731 16.734 ( -1.479 -17.765 0.000) 17.827 29.170 ( 6.189 13.904 0.000) 15.219 29.308 ( -8.133 12.327 0.000) 14.768 29.608 ( 0.629 7.805 0.000) 7.830 29.619 ( -0.510 7.504 0.000) 7.521 31.651 ( 4.722 1.756 0.000) 5.038 31.719 ( -2.392 0.200 0.000) 2.400 32.417 ( 0.609 -7.720 0.000) 7.744 32.431 ( -0.876 -6.731 0.000) 6.788 83.307 ( 4.046 -1.233 0.000) 4.230 83.392 ( -4.746 -1.764 0.000) 5.064 83.426 ( 5.576 -5.086 0.000) 7.547 83.517 ( -3.709 -5.845 0.000) 6.922 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 0.000 16.983 0.000) 16.983 2.478 ( 0.000 20.461 0.000) 20.461 2.614 ( 0.000 10.184 0.000) 10.184 2.884 ( 0.000 7.739 0.000) 7.739 3.113 ( 0.000 -1.131 0.000) 1.131 3.291 ( 0.000 -1.344 0.000) 1.344 3.679 ( 0.000 -7.986 0.000) 7.986 4.048 ( 0.000 -6.166 0.000) 6.166 4.905 ( 0.000 26.582 0.000) 26.582 5.365 ( 0.000 20.282 0.000) 20.282 5.509 ( 0.000 21.322 0.000) 21.322 5.549 ( 0.000 22.119 0.000) 22.119 7.154 ( 0.000 2.310 0.000) 2.310 7.578 ( 0.000 -2.736 0.000) 2.736 7.897 ( 0.000 -1.002 0.000) 1.002 8.033 ( 0.000 11.434 0.000) 11.434 9.200 ( 0.000 -2.770 0.000) 2.770 9.559 ( 0.000 8.675 0.000) 8.675 9.666 ( 0.000 11.764 0.000) 11.764 10.012 ( 0.000 -1.109 0.000) 1.109 10.219 ( 0.000 1.280 0.000) 1.280 10.336 ( 0.000 1.377 0.000) 1.377 10.635 ( 0.000 -8.926 0.000) 8.926 10.852 ( 0.000 -7.827 0.000) 7.827 11.663 ( 0.000 7.172 0.000) 7.172 12.561 ( 0.000 0.087 0.000) 0.087 12.785 ( 0.000 -4.590 0.000) 4.590 13.089 ( 0.000 -14.838 0.000) 14.838 13.325 ( 0.000 16.648 0.000) 16.648 13.495 ( 0.000 7.648 0.000) 7.648 14.335 ( 0.000 -7.881 0.000) 7.881 14.412 ( 0.000 -7.663 0.000) 7.663 15.618 ( 0.000 7.272 0.000) 7.272 15.967 ( 0.000 -4.079 0.000) 4.079 16.343 ( 0.000 -14.155 0.000) 14.155 16.441 ( 0.000 -15.321 0.000) 15.321 29.323 ( 0.000 13.031 0.000) 13.031 29.692 ( 0.000 6.954 0.000) 6.954 29.719 ( 0.000 6.711 0.000) 6.711 29.748 ( 0.000 4.787 0.000) 4.787 31.642 ( 0.000 7.401 0.000) 7.401 31.764 ( 0.000 1.519 0.000) 1.519 32.239 ( 0.000 -8.113 0.000) 8.113 32.334 ( 0.000 -6.387 0.000) 6.387 83.209 ( 0.000 -0.730 0.000) 0.730 83.242 ( 0.000 -1.633 0.000) 1.633 83.471 ( 0.000 -2.260 0.000) 2.260 83.488 ( 0.000 -2.600 0.000) 2.600 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 3.394 16.796 0.000) 17.136 2.465 ( -0.878 19.519 0.000) 19.539 2.596 ( -2.175 12.024 0.000) 12.219 2.726 ( -10.449 9.933 0.000) 14.417 3.293 ( 12.429 -1.996 0.000) 12.589 3.317 ( 2.841 -2.190 0.000) 3.587 3.657 ( -1.876 -7.948 0.000) 8.167 3.997 ( -5.433 -6.950 0.000) 8.821 4.940 ( 3.865 27.806 0.000) 28.073 5.396 ( -8.336 24.227 0.000) 25.621 5.407 ( 4.063 19.365 0.000) 19.787 5.591 ( 0.957 19.704 0.000) 19.727 7.189 ( 3.744 2.399 0.000) 4.447 7.636 ( 5.982 -2.485 0.000) 6.478 7.716 ( -12.859 3.612 0.000) 13.357 8.093 ( -0.185 3.917 0.000) 3.921 9.177 ( 0.757 4.770 0.000) 4.830 9.607 ( -5.925 12.160 0.000) 13.527 9.691 ( 10.964 2.861 0.000) 11.332 10.055 ( 3.707 -2.998 0.000) 4.768 10.196 ( -2.226 3.099 0.000) 3.815 10.323 ( -1.443 2.046 0.000) 2.503 10.676 ( 4.054 -8.478 0.000) 9.397 10.855 ( 0.041 -7.528 0.000) 7.528 11.704 ( 4.564 6.517 0.000) 7.956 12.384 ( -14.410 1.381 0.000) 14.476 12.874 ( 5.710 -7.359 0.000) 9.315 13.074 ( -1.615 -14.999 0.000) 15.085 13.334 ( 0.918 16.333 0.000) 16.359 13.468 ( -2.597 9.105 0.000) 9.468 14.338 ( 0.332 -7.813 0.000) 7.820 14.400 ( -1.170 -7.618 0.000) 7.707 15.662 ( 4.415 6.299 0.000) 7.693 15.944 ( -2.435 -2.840 0.000) 3.741 16.355 ( 1.187 -14.289 0.000) 14.338 16.434 ( -0.769 -15.214 0.000) 15.234 29.349 ( 2.720 12.748 0.000) 13.035 29.634 ( -4.808 8.178 0.000) 9.487 29.735 ( 0.670 6.297 0.000) 6.332 29.748 ( -0.057 4.936 0.000) 4.937 31.665 ( 2.163 6.322 0.000) 6.682 31.761 ( -0.374 1.730 0.000) 1.770 32.247 ( 0.826 -7.903 0.000) 7.946 32.324 ( -1.033 -6.500 0.000) 6.581 83.229 ( 2.162 -0.716 0.000) 2.277 83.274 ( 3.132 -2.107 0.000) 3.775 83.435 ( -3.130 -1.661 0.000) 3.543 83.478 ( -1.519 -3.144 0.000) 3.491 ======================= Grid point 27 (18/144) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 5.194 16.314 0.000) 17.121 2.462 ( 0.248 17.761 0.000) 17.763 2.533 ( -3.553 14.475 0.000) 14.905 2.563 ( -6.161 14.161 0.000) 15.443 3.392 ( 4.657 -3.488 0.000) 5.818 3.450 ( 1.111 -3.347 0.000) 3.527 3.675 ( 6.636 -7.877 0.000) 10.300 3.851 ( -9.533 -7.568 0.000) 12.172 5.053 ( 7.873 28.401 0.000) 29.472 5.222 ( -9.563 26.843 0.000) 28.495 5.497 ( 4.852 18.269 0.000) 18.902 5.572 ( -2.757 18.374 0.000) 18.580 7.297 ( 7.793 2.822 0.000) 8.288 7.481 ( -11.416 3.565 0.000) 11.960 7.793 ( 10.142 -1.743 0.000) 10.291 7.989 ( -9.449 -0.192 0.000) 9.451 9.275 ( 8.687 10.969 0.000) 13.993 9.457 ( -9.529 12.475 0.000) 15.698 9.901 ( 10.329 -2.276 0.000) 10.577 10.058 ( -5.464 -6.434 0.000) 8.441 10.199 ( 3.956 6.752 0.000) 7.825 10.277 ( -3.458 3.745 0.000) 5.098 10.767 ( 4.856 -7.535 0.000) 8.964 10.837 ( -2.289 -7.148 0.000) 7.505 11.845 ( 10.509 4.869 0.000) 11.582 12.094 ( -15.176 3.074 0.000) 15.484 12.965 ( 4.022 -11.882 0.000) 12.544 13.030 ( -2.925 -14.613 0.000) 14.903 13.361 ( 2.040 15.106 0.000) 15.243 13.411 ( -3.105 12.388 0.000) 12.772 14.349 ( 0.956 -7.665 0.000) 7.724 14.373 ( -1.473 -7.580 0.000) 7.722 15.767 ( 6.113 3.698 0.000) 7.144 15.874 ( -4.908 0.236 0.000) 4.914 16.383 ( 1.656 -14.617 0.000) 14.711 16.413 ( -1.402 -14.962 0.000) 15.028 29.422 ( 4.973 11.826 0.000) 12.829 29.529 ( -5.975 10.180 0.000) 11.804 29.743 ( 0.236 5.842 0.000) 5.846 29.746 ( -0.112 5.334 0.000) 5.336 31.711 ( 2.382 4.187 0.000) 4.818 31.746 ( -1.307 2.530 0.000) 2.847 32.269 ( 1.439 -7.390 0.000) 7.528 32.298 ( -1.570 -6.849 0.000) 7.027 83.287 ( 3.770 -0.803 0.000) 3.854 83.349 ( 4.432 -2.967 0.000) 5.333 83.364 ( -4.156 -1.101 0.000) 4.299 83.428 ( -3.649 -3.402 0.000) 4.989 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 0.000 12.952 0.000) 12.952 2.804 ( 0.000 9.256 0.000) 9.256 2.853 ( 0.000 17.750 0.000) 17.750 3.043 ( 0.000 8.401 0.000) 8.401 3.068 ( 0.000 -3.712 0.000) 3.712 3.249 ( 0.000 -2.721 0.000) 2.721 3.518 ( 0.000 -8.398 0.000) 8.398 3.843 ( 0.000 -13.163 0.000) 13.163 5.388 ( 0.000 21.024 0.000) 21.024 5.672 ( 0.000 11.046 0.000) 11.046 5.855 ( 0.000 13.896 0.000) 13.896 5.898 ( 0.000 13.386 0.000) 13.386 7.231 ( 0.000 5.202 0.000) 5.202 7.519 ( 0.000 -3.434 0.000) 3.434 7.920 ( 0.000 3.180 0.000) 3.180 8.165 ( 0.000 1.628 0.000) 1.628 9.252 ( 0.000 8.051 0.000) 8.051 9.692 ( 0.000 3.977 0.000) 3.977 9.876 ( 0.000 9.283 0.000) 9.283 9.948 ( 0.000 -1.913 0.000) 1.913 10.309 ( 0.000 4.125 0.000) 4.125 10.333 ( 0.000 -0.538 0.000) 0.538 10.459 ( 0.000 -8.522 0.000) 8.522 10.684 ( 0.000 -9.171 0.000) 9.171 11.821 ( 0.000 9.495 0.000) 9.495 12.570 ( 0.000 0.898 0.000) 0.898 12.703 ( 0.000 -3.772 0.000) 3.772 12.729 ( 0.000 -19.638 0.000) 19.638 13.629 ( 0.000 14.366 0.000) 14.366 13.693 ( 0.000 10.431 0.000) 10.431 14.187 ( 0.000 -7.409 0.000) 7.409 14.257 ( 0.000 -8.291 0.000) 8.291 15.732 ( 0.000 4.898 0.000) 4.898 15.907 ( 0.000 -1.799 0.000) 1.799 16.104 ( 0.000 -10.341 0.000) 10.341 16.175 ( 0.000 -11.690 0.000) 11.690 29.550 ( 0.000 10.159 0.000) 10.159 29.808 ( 0.000 4.817 0.000) 4.817 29.810 ( 0.000 1.426 0.000) 1.426 29.827 ( 0.000 4.245 0.000) 4.245 31.789 ( 0.000 7.550 0.000) 7.550 31.808 ( 0.000 2.949 0.000) 2.949 32.093 ( 0.000 -6.864 0.000) 6.864 32.207 ( 0.000 -6.705 0.000) 6.705 83.198 ( 0.000 -0.380 0.000) 0.380 83.216 ( 0.000 -1.091 0.000) 1.091 83.439 ( 0.000 -1.035 0.000) 1.035 83.449 ( 0.000 -1.416 0.000) 1.416 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.660 13.381 0.000) 13.873 2.784 ( -1.051 11.865 0.000) 11.911 2.861 ( -0.484 16.446 0.000) 16.454 2.913 ( -6.143 8.529 0.000) 10.511 3.237 ( 9.934 -3.449 0.000) 10.516 3.256 ( 1.205 -4.064 0.000) 4.239 3.495 ( -2.164 -8.479 0.000) 8.751 3.792 ( -5.154 -12.779 0.000) 13.779 5.426 ( 3.906 20.771 0.000) 21.135 5.704 ( 3.216 10.798 0.000) 11.267 5.788 ( -5.631 15.825 0.000) 16.797 5.902 ( -0.778 11.904 0.000) 11.929 7.266 ( 3.867 5.264 0.000) 6.532 7.576 ( 5.928 -3.742 0.000) 7.011 7.794 ( -11.014 4.924 0.000) 12.065 8.120 ( -5.868 -1.690 0.000) 6.107 9.320 ( 7.141 10.189 0.000) 12.442 9.761 ( 6.421 2.656 0.000) 6.948 9.828 ( -4.902 9.954 0.000) 11.096 9.983 ( 2.623 -1.335 0.000) 2.944 10.292 ( -1.372 3.438 0.000) 3.702 10.333 ( -0.133 0.040 0.000) 0.139 10.506 ( 4.601 -8.456 0.000) 9.627 10.692 ( 0.481 -9.013 0.000) 9.025 11.851 ( 3.417 8.976 0.000) 9.604 12.425 ( -12.190 2.896 0.000) 12.529 12.722 ( -0.591 -18.945 0.000) 18.954 12.732 ( 0.780 -7.032 0.000) 7.075 13.632 ( 0.305 14.077 0.000) 14.080 13.683 ( -1.043 10.942 0.000) 10.992 14.190 ( 0.363 -7.443 0.000) 7.452 14.247 ( -0.982 -8.144 0.000) 8.203 15.760 ( 2.763 4.210 0.000) 5.035 15.902 ( -0.664 -1.200 0.000) 1.371 16.114 ( 1.026 -10.351 0.000) 10.402 16.172 ( -0.348 -11.392 0.000) 11.397 29.570 ( 2.070 9.830 0.000) 10.045 29.771 ( -3.139 5.769 0.000) 6.568 29.813 ( 0.307 1.640 0.000) 1.668 29.834 ( 0.097 3.700 0.000) 3.702 31.795 ( 0.577 6.895 0.000) 6.919 31.810 ( 0.159 3.214 0.000) 3.218 32.103 ( 1.079 -6.814 0.000) 6.899 32.195 ( -1.141 -6.687 0.000) 6.783 83.219 ( 2.181 -0.347 0.000) 2.209 83.241 ( 2.569 -1.285 0.000) 2.872 83.412 ( -2.615 -0.756 0.000) 2.722 83.432 ( -1.921 -1.663 0.000) 2.541 ======================= Grid point 32 (21/144) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 5.847 14.545 0.000) 15.676 2.782 ( 0.847 13.434 0.000) 13.461 2.810 ( -4.707 15.534 0.000) 16.232 2.823 ( -3.423 12.118 0.000) 12.592 3.306 ( 3.841 -5.442 0.000) 6.661 3.367 ( -0.086 -5.140 0.000) 5.141 3.497 ( 6.187 -10.199 0.000) 11.929 3.659 ( -8.615 -11.653 0.000) 14.492 5.528 ( 6.626 19.818 0.000) 20.896 5.663 ( -7.265 18.075 0.000) 19.481 5.781 ( 4.530 10.510 0.000) 11.444 5.860 ( -3.472 10.806 0.000) 11.350 7.380 ( 8.194 5.510 0.000) 9.874 7.570 ( -11.607 5.719 0.000) 12.940 7.735 ( 10.456 -4.274 0.000) 11.296 7.948 ( -11.287 -4.085 0.000) 12.003 9.498 ( 10.769 11.849 0.000) 16.012 9.693 ( -9.181 11.452 0.000) 14.678 9.897 ( 7.074 0.826 0.000) 7.122 9.995 ( -2.428 -0.527 0.000) 2.484 10.286 ( 1.250 2.439 0.000) 2.741 10.319 ( -1.483 1.240 0.000) 1.932 10.608 ( 5.345 -8.535 0.000) 10.071 10.681 ( -2.101 -8.689 0.000) 8.939 11.962 ( 8.638 7.489 0.000) 11.433 12.174 ( -13.186 5.373 0.000) 14.239 12.714 ( 0.026 -16.570 0.000) 16.570 12.725 ( -0.951 -12.259 0.000) 12.296 13.642 ( 0.727 13.275 0.000) 13.294 13.660 ( -1.184 12.106 0.000) 12.164 14.202 ( 0.927 -7.572 0.000) 7.629 14.224 ( -1.308 -7.832 0.000) 7.940 15.823 ( 3.421 2.472 0.000) 4.220 15.877 ( -2.112 0.409 0.000) 2.151 16.138 ( 1.332 -10.467 0.000) 10.551 16.160 ( -0.945 -10.833 0.000) 10.874 29.625 ( 3.637 8.856 0.000) 9.574 29.701 ( -4.121 7.363 0.000) 8.438 29.821 ( 0.496 2.213 0.000) 2.268 29.830 ( -0.418 2.967 0.000) 2.996 31.806 ( 0.519 5.436 0.000) 5.461 31.812 ( -0.069 4.055 0.000) 4.055 32.131 ( 1.781 -6.719 0.000) 6.951 32.166 ( -1.819 -6.671 0.000) 6.915 83.276 ( 3.658 -0.343 0.000) 3.674 83.305 ( 3.913 -1.637 0.000) 4.242 83.349 ( -3.838 -0.468 0.000) 3.867 83.379 ( -3.601 -1.809 0.000) 4.030 ======================= Grid point 35 (22/144) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 0.000 10.053 0.000) 10.053 2.964 ( 0.000 -7.002 0.000) 7.002 2.971 ( 0.000 7.682 0.000) 7.682 3.076 ( 0.000 -0.326 0.000) 0.326 3.204 ( 0.000 8.001 0.000) 8.001 3.278 ( 0.000 11.337 0.000) 11.337 3.358 ( 0.000 -7.987 0.000) 7.987 3.563 ( 0.000 -15.186 0.000) 15.186 5.695 ( 0.000 10.316 0.000) 10.316 5.788 ( 0.000 0.718 0.000) 0.718 6.045 ( 0.000 5.517 0.000) 5.517 6.064 ( 0.000 3.679 0.000) 3.679 7.340 ( 0.000 5.662 0.000) 5.662 7.441 ( 0.000 -4.613 0.000) 4.613 8.010 ( 0.000 5.725 0.000) 5.725 8.121 ( 0.000 -4.950 0.000) 4.950 9.469 ( 0.000 12.456 0.000) 12.456 9.670 ( 0.000 -6.647 0.000) 6.647 9.959 ( 0.000 2.512 0.000) 2.512 9.990 ( 0.000 1.420 0.000) 1.420 10.342 ( 0.000 -2.356 0.000) 2.356 10.343 ( 0.000 -0.411 0.000) 0.411 10.367 ( 0.000 4.776 0.000) 4.776 10.506 ( 0.000 -8.709 0.000) 8.709 12.047 ( 0.000 13.903 0.000) 13.903 12.359 ( 0.000 -17.853 0.000) 17.853 12.596 ( 0.000 1.766 0.000) 1.766 12.640 ( 0.000 -2.727 0.000) 2.727 13.881 ( 0.000 8.844 0.000) 8.844 13.882 ( 0.000 11.583 0.000) 11.583 14.041 ( 0.000 -7.703 0.000) 7.703 14.085 ( 0.000 -9.470 0.000) 9.470 15.824 ( 0.000 4.942 0.000) 4.942 15.907 ( 0.000 2.046 0.000) 2.046 15.937 ( 0.000 -6.946 0.000) 6.946 15.993 ( 0.000 -6.882 0.000) 6.882 29.713 ( 0.000 6.477 0.000) 6.477 29.800 ( 0.000 -2.465 0.000) 2.465 29.875 ( 0.000 1.922 0.000) 1.922 29.881 ( 0.000 1.244 0.000) 1.244 31.878 ( 0.000 4.209 0.000) 4.209 31.934 ( 0.000 7.325 0.000) 7.325 31.973 ( 0.000 -5.501 0.000) 5.501 32.073 ( 0.000 -6.997 0.000) 6.997 83.194 ( 0.000 0.044 0.000) 0.044 83.200 ( 0.000 -0.539 0.000) 0.539 83.428 ( 0.000 -0.200 0.000) 0.200 83.431 ( 0.000 -0.525 0.000) 0.525 ======================= Grid point 36 (23/144) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 4.713 10.488 0.000) 11.499 2.979 ( 0.904 8.703 0.000) 8.749 2.991 ( 2.286 -2.876 0.000) 3.673 3.109 ( 3.210 -1.161 0.000) 3.413 3.214 ( 1.457 3.368 0.000) 3.670 3.232 ( -4.715 11.075 0.000) 12.037 3.336 ( -2.278 -7.671 0.000) 8.002 3.520 ( -4.426 -14.964 0.000) 15.605 5.728 ( 3.352 10.102 0.000) 10.644 5.819 ( 3.075 0.746 0.000) 3.164 6.007 ( -3.588 6.642 0.000) 7.549 6.046 ( -2.167 2.738 0.000) 3.492 7.379 ( 4.235 5.993 0.000) 7.338 7.489 ( 5.086 -5.138 0.000) 7.229 7.909 ( -9.568 6.648 0.000) 11.651 8.038 ( -8.366 -6.062 0.000) 10.331 9.547 ( 7.628 11.941 0.000) 14.169 9.735 ( 6.230 -6.060 0.000) 8.691 9.966 ( -1.101 4.238 0.000) 4.379 10.001 ( 1.189 1.199 0.000) 1.689 10.320 ( -0.919 0.760 0.000) 1.193 10.373 ( 2.649 -4.772 0.000) 5.458 10.374 ( 0.481 4.945 0.000) 4.969 10.515 ( 0.607 -8.754 0.000) 8.775 12.067 ( 2.290 13.314 0.000) 13.509 12.366 ( 0.923 -17.158 0.000) 17.182 12.498 ( -8.830 4.645 0.000) 9.977 12.604 ( -4.316 -6.096 0.000) 7.469 13.878 ( -0.275 9.148 0.000) 9.152 13.879 ( -0.232 11.341 0.000) 11.343 14.042 ( 0.171 -7.860 0.000) 7.861 14.079 ( -0.654 -9.281 0.000) 9.304 15.842 ( 1.696 4.531 0.000) 4.838 15.909 ( 0.098 2.223 0.000) 2.225 15.949 ( 1.154 -6.772 0.000) 6.870 15.995 ( 0.112 -6.724 0.000) 6.724 29.727 ( 1.401 6.159 0.000) 6.316 29.808 ( 0.799 -2.191 0.000) 2.332 29.855 ( -1.811 2.721 0.000) 3.268 29.876 ( -0.737 0.570 0.000) 0.932 31.885 ( 0.675 4.426 0.000) 4.477 31.930 ( -0.408 6.940 0.000) 6.952 31.982 ( 1.015 -5.604 0.000) 5.695 32.064 ( -0.953 -6.815 0.000) 6.881 83.216 ( 2.238 0.088 0.000) 2.240 83.223 ( 2.340 -0.620 0.000) 2.421 83.404 ( -2.341 -0.044 0.000) 2.342 83.410 ( -2.150 -0.673 0.000) 2.253 ======================= Grid point 37 (24/144) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 7.546 11.376 0.000) 13.651 3.002 ( 1.358 9.911 0.000) 10.003 3.019 ( 0.191 6.881 0.000) 6.884 3.112 ( -7.533 12.579 0.000) 14.662 3.185 ( 4.456 -4.826 0.000) 6.568 3.259 ( -0.844 -5.151 0.000) 5.220 3.295 ( 2.349 -9.372 0.000) 9.662 3.409 ( -6.809 -13.809 0.000) 15.397 5.814 ( 5.403 9.415 0.000) 10.855 5.895 ( 4.706 0.974 0.000) 4.806 5.920 ( -5.446 8.213 0.000) 9.855 5.983 ( -4.267 1.627 0.000) 4.567 7.502 ( 8.713 6.726 0.000) 11.007 7.631 ( 9.664 -6.202 0.000) 11.483 7.699 ( -11.582 7.205 0.000) 13.641 7.839 ( -11.683 -6.791 0.000) 13.514 9.721 ( 9.812 10.390 0.000) 14.291 9.873 ( 7.567 -4.496 0.000) 8.802 9.887 ( -7.050 8.032 0.000) 10.687 9.988 ( -3.681 -1.979 0.000) 4.180 10.331 ( 2.122 3.577 0.000) 4.159 10.370 ( -1.265 4.929 0.000) 5.089 10.446 ( 4.433 -7.684 0.000) 8.871 10.509 ( -1.742 -8.606 0.000) 8.781 12.146 ( 6.404 11.452 0.000) 13.121 12.308 ( -10.220 8.392 0.000) 13.224 12.405 ( 3.449 -14.877 0.000) 15.272 12.498 ( -6.004 -10.921 0.000) 12.463 13.874 ( -0.119 9.883 0.000) 9.884 13.875 ( -0.193 10.708 0.000) 10.710 14.049 ( 0.567 -8.274 0.000) 8.294 14.063 ( -0.863 -8.812 0.000) 8.854 15.878 ( 1.882 3.602 0.000) 4.064 15.904 ( -0.772 2.739 0.000) 2.846 15.974 ( 1.296 -6.475 0.000) 6.603 15.992 ( -0.544 -6.457 0.000) 6.480 29.763 ( 2.392 5.265 0.000) 5.783 29.812 ( -2.585 4.001 0.000) 4.764 29.829 ( 1.333 -1.443 0.000) 1.965 29.855 ( -1.355 -0.433 0.000) 1.423 31.901 ( 0.965 5.070 0.000) 5.162 31.918 ( -0.801 6.026 0.000) 6.079 32.008 ( 1.613 -5.914 0.000) 6.130 32.039 ( -1.575 -6.377 0.000) 6.568 83.274 ( 3.649 0.145 0.000) 3.652 83.282 ( 3.714 -0.757 0.000) 3.790 83.345 ( -3.689 0.113 0.000) 3.691 83.354 ( -3.620 -0.796 0.000) 3.706 ======================= Grid point 75 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 0.000 23.616) 23.616 0.506 ( 0.000 0.000 23.860) 23.860 0.943 ( 0.000 0.000 44.581) 44.581 1.857 ( 0.000 0.000 6.361) 6.361 2.097 ( 0.000 0.000 3.379) 3.379 2.413 ( 0.000 0.000 -1.269) 1.269 2.928 ( 0.000 0.000 -1.256) 1.256 3.226 ( 0.000 0.000 -10.318) 10.318 3.792 ( 0.000 0.000 -0.279) 0.279 4.015 ( 0.000 0.000 15.878) 15.878 4.117 ( 0.000 0.000 -0.725) 0.725 4.891 ( 0.000 0.000 4.067) 4.067 7.207 ( 0.000 0.000 8.860) 8.860 7.454 ( 0.000 0.000 1.201) 1.201 7.821 ( 0.000 0.000 -0.563) 0.563 8.211 ( 0.000 0.000 -1.521) 1.521 8.565 ( 0.000 0.000 0.585) 0.585 8.777 ( 0.000 0.000 -4.001) 4.001 8.788 ( 0.000 0.000 -0.600) 0.600 9.297 ( 0.000 0.000 -5.076) 5.076 9.973 ( 0.000 0.000 10.309) 10.309 10.926 ( 0.000 0.000 -6.066) 6.066 10.933 ( 0.000 0.000 -6.086) 6.086 12.079 ( 0.000 0.000 7.831) 7.831 12.126 ( 0.000 0.000 0.554) 0.554 12.213 ( 0.000 0.000 0.511) 0.511 12.245 ( 0.000 0.000 -0.025) 0.025 12.379 ( 0.000 0.000 -0.356) 0.356 12.604 ( 0.000 0.000 -3.384) 3.384 13.173 ( 0.000 0.000 1.962) 1.962 13.600 ( 0.000 0.000 -31.046) 31.046 14.532 ( 0.000 0.000 -3.977) 3.977 15.419 ( 0.000 0.000 35.759) 35.759 17.490 ( 0.000 0.000 -7.188) 7.188 17.685 ( 0.000 0.000 1.968) 1.968 17.906 ( 0.000 0.000 -0.897) 0.897 28.264 ( 0.000 0.000 2.832) 2.832 28.349 ( 0.000 0.000 1.948) 1.948 29.091 ( 0.000 0.000 -1.732) 1.732 29.156 ( 0.000 0.000 -2.164) 2.164 31.250 ( 0.000 0.000 2.712) 2.712 31.866 ( 0.000 0.000 -1.321) 1.321 32.721 ( 0.000 0.000 0.040) 0.040 32.877 ( 0.000 0.000 -2.635) 2.635 83.302 ( 0.000 0.000 -3.873) 3.873 83.370 ( 0.000 0.000 7.876) 7.876 84.186 ( 0.000 0.000 26.054) 26.054 88.164 ( 0.000 0.000 -5.320) 5.320 ======================= Grid point 76 (26/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 16.818 0.000 15.662) 22.981 0.719 ( 19.999 0.000 15.370) 25.223 1.222 ( 24.961 0.000 32.049) 40.622 1.754 ( -8.413 0.000 7.007) 10.949 1.902 ( -16.271 0.000 3.396) 16.621 2.544 ( 9.503 0.000 -0.817) 9.538 2.904 ( -2.543 0.000 -1.217) 2.819 3.133 ( -17.564 0.000 -5.632) 18.444 3.564 ( -3.548 0.000 4.407) 5.658 4.025 ( -5.454 0.000 0.455) 5.473 4.358 ( 17.431 0.000 5.567) 18.299 4.866 ( -2.456 0.000 3.994) 4.689 7.259 ( 5.388 0.000 8.429) 10.004 7.483 ( 2.945 0.000 1.091) 3.141 7.775 ( -4.448 0.000 -0.280) 4.457 7.874 ( -17.641 0.000 9.834) 20.197 8.596 ( 3.029 0.000 0.359) 3.050 8.773 ( -1.576 0.000 -0.544) 1.667 8.818 ( 6.059 0.000 -4.499) 7.547 9.264 ( -4.452 0.000 3.583) 5.715 10.627 ( 19.538 0.000 -24.540) 31.368 10.908 ( -1.496 0.000 -7.892) 8.033 11.209 ( 28.013 0.000 -11.077) 30.124 12.131 ( 0.501 0.000 0.551) 0.744 12.192 ( -1.471 0.000 0.464) 1.543 12.270 ( 1.942 0.000 -0.006) 1.942 12.340 ( 7.983 0.000 -9.455) 12.375 12.370 ( -0.958 0.000 -0.326) 1.012 12.424 ( 1.853 0.000 -12.318) 12.456 13.301 ( 3.308 0.000 -16.313) 16.645 13.642 ( 9.593 0.000 -18.784) 21.091 14.463 ( -7.133 0.000 -4.758) 8.575 15.486 ( 7.038 0.000 38.139) 38.783 16.818 ( -50.928 0.000 50.887) 71.995 17.614 ( 2.858 0.000 -3.720) 4.691 17.884 ( -2.973 0.000 -5.225) 6.011 28.271 ( 0.785 0.000 2.755) 2.864 28.340 ( -0.893 0.000 2.041) 2.227 29.098 ( 0.700 0.000 -1.782) 1.914 29.151 ( -0.592 0.000 -2.130) 2.210 31.677 ( 23.297 0.000 -21.512) 31.711 31.883 ( 1.627 0.000 -2.275) 2.797 32.727 ( 1.154 0.000 -0.480) 1.249 32.866 ( -1.319 0.000 -2.674) 2.981 83.254 ( -1.142 0.000 0.365) 1.199 83.402 ( -0.304 0.000 -2.509) 2.527 84.350 ( 15.895 0.000 28.763) 32.862 86.589 ( -94.533 0.000 79.333) 123.411 ======================= Grid point 77 (27/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 18.641 0.000 9.943) 21.128 1.135 ( 22.685 0.000 8.501) 24.226 1.378 ( -13.544 0.000 8.355) 15.914 1.548 ( -20.671 0.000 5.061) 21.281 1.948 ( 32.385 0.000 16.949) 36.552 2.600 ( -33.850 0.000 8.208) 34.831 2.710 ( 7.725 0.000 -0.923) 7.780 2.831 ( -5.135 0.000 -1.101) 5.252 3.676 ( 10.336 0.000 -1.683) 10.472 3.875 ( -9.874 0.000 -1.464) 9.982 4.631 ( 11.294 0.000 4.566) 12.182 4.791 ( -5.896 0.000 4.058) 7.157 7.402 ( 9.415 0.000 7.433) 11.995 7.562 ( 5.226 0.000 0.770) 5.283 7.606 ( -12.077 0.000 7.220) 14.071 7.671 ( -6.061 0.000 0.274) 6.067 8.664 ( 3.789 0.000 -0.047) 3.789 8.730 ( -2.985 0.000 -0.364) 3.007 8.971 ( 9.229 0.000 -2.013) 9.446 9.141 ( -8.216 0.000 1.775) 8.405 10.792 ( 4.693 0.000 -14.048) 14.811 10.864 ( -3.094 0.000 -10.245) 10.702 11.660 ( 20.130 0.000 0.699) 20.142 12.028 ( -19.323 0.000 3.938) 19.721 12.144 ( 0.938 0.000 0.536) 1.080 12.165 ( -1.279 0.000 0.504) 1.375 12.309 ( 2.034 0.000 -0.119) 2.038 12.345 ( -1.685 0.000 -0.240) 1.702 12.867 ( 21.152 0.000 -40.602) 45.781 13.182 ( -12.552 0.000 -35.152) 37.325 13.958 ( 18.808 0.000 -8.422) 20.607 14.268 ( -13.456 0.000 -6.643) 15.007 15.689 ( 14.842 0.000 45.316) 47.685 16.079 ( -27.935 0.000 55.449) 62.088 17.699 ( 5.486 0.000 -5.100) 7.491 17.804 ( -5.229 0.000 -5.486) 7.579 28.292 ( 1.316 0.000 2.546) 2.866 28.318 ( -1.382 0.000 2.274) 2.661 29.115 ( 1.070 0.000 -1.902) 2.182 29.135 ( -1.004 0.000 -2.034) 2.268 31.909 ( 3.929 0.000 -13.193) 13.765 31.917 ( 1.567 0.000 -5.755) 5.965 32.770 ( 3.055 0.000 -2.183) 3.755 32.827 ( -2.708 0.000 -2.700) 3.824 83.279 ( 3.240 0.000 -2.798) 4.281 83.353 ( -4.011 0.000 -4.472) 6.007 84.739 ( 25.154 0.000 39.439) 46.778 85.353 ( -43.107 0.000 61.871) 75.407 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 19.987 15.222) 25.123 0.795 ( 0.000 16.992 21.998) 27.797 1.359 ( 0.000 40.650 25.802) 48.147 1.905 ( 0.000 4.838 5.360) 7.220 2.232 ( 0.000 11.823 4.336) 12.593 2.557 ( 0.000 13.020 -1.498) 13.106 3.080 ( 0.000 12.676 -2.165) 12.860 3.293 ( 0.000 9.154 -8.261) 12.330 3.855 ( 0.000 6.870 -0.852) 6.922 4.046 ( 0.000 3.598 14.979) 15.405 4.092 ( 0.000 -2.385 -1.025) 2.596 4.869 ( 0.000 -2.103 4.233) 4.727 7.231 ( 0.000 2.960 7.299) 7.877 7.645 ( 0.000 0.484 1.345) 1.430 7.791 ( 0.000 -2.705 -0.728) 2.801 8.205 ( 0.000 -0.698 -0.452) 0.831 8.647 ( 0.000 15.527 -7.007) 17.035 8.822 ( 0.000 5.111 -3.294) 6.080 8.881 ( 0.000 8.187 -0.601) 8.209 9.626 ( 0.000 15.829 -18.439) 24.301 9.969 ( 0.000 0.096 9.430) 9.431 10.805 ( 0.000 -7.017 -7.587) 10.335 10.924 ( 0.000 -0.863 -6.512) 6.569 11.714 ( 0.000 -9.571 20.564) 22.682 11.891 ( 0.000 -28.094 -0.040) 28.094 12.194 ( 0.000 6.765 0.325) 6.772 12.283 ( 0.000 7.079 0.090) 7.080 12.606 ( 0.000 0.009 -1.527) 1.527 13.158 ( 0.000 -1.548 2.434) 2.884 13.195 ( 0.000 40.864 -40.078) 57.237 13.978 ( 0.000 25.610 -37.188) 45.154 14.456 ( 0.000 -7.637 -3.784) 8.523 15.432 ( 0.000 1.405 35.420) 35.448 17.321 ( 0.000 -37.950 32.909) 50.231 17.419 ( 0.000 -7.138 -6.857) 9.898 17.609 ( 0.000 -7.623 2.044) 7.892 28.333 ( 0.000 6.946 2.645) 7.433 28.753 ( 0.000 23.466 -17.854) 29.485 29.131 ( 0.000 4.088 -1.576) 4.381 29.203 ( 0.000 4.655 -2.009) 5.070 31.267 ( 0.000 1.736 2.550) 3.084 31.848 ( 0.000 -1.785 -1.173) 2.136 32.701 ( 0.000 -2.005 -0.005) 2.005 32.836 ( 0.000 -4.130 -2.382) 4.768 83.296 ( 0.000 -0.616 -3.696) 3.747 83.322 ( 0.000 -4.223 7.328) 8.457 84.138 ( 0.000 -4.699 24.932) 25.371 86.086 ( 0.000 -111.964 100.925) 150.737 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.20 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 10.986 14.548 12.344) 22.016 0.943 ( 14.433 15.061 17.977) 27.538 1.570 ( 15.981 32.012 18.990) 40.506 1.807 ( -5.307 7.360 7.243) 11.611 2.034 ( -16.212 11.480 4.902) 20.460 2.691 ( 9.674 13.459 -1.085) 16.611 3.064 ( -2.125 14.111 -1.991) 14.408 3.225 ( -13.745 10.828 -5.711) 18.406 3.602 ( -6.268 4.784 5.904) 9.851 4.025 ( -5.690 -0.016 0.426) 5.706 4.355 ( 17.027 0.462 5.155) 17.797 4.847 ( -2.317 -1.866 4.134) 5.093 7.269 ( 4.009 1.878 7.070) 8.342 7.623 ( -2.077 -0.182 2.901) 3.573 7.765 ( -2.531 -1.156 -0.259) 2.794 7.891 ( -19.177 8.149 5.159) 21.466 8.659 ( 1.879 5.282 -4.229) 7.023 8.823 ( -2.811 7.394 1.331) 8.021 8.931 ( 7.207 9.878 -2.978) 12.585 9.413 ( -8.546 12.191 1.560) 14.969 10.624 ( 26.313 -2.807 -24.260) 35.899 10.862 ( 4.551 -9.127 -7.244) 12.510 10.976 ( 14.239 -11.769 -5.890) 19.389 11.774 ( 5.719 -12.310 17.036) 21.783 11.869 ( -2.539 -29.243 -1.003) 29.371 12.202 ( 0.801 6.818 0.338) 6.873 12.266 ( -2.276 5.428 -0.298) 5.893 12.409 ( -15.294 1.457 2.958) 15.646 13.241 ( 7.225 29.858 -31.536) 44.025 13.384 ( 14.568 7.954 -12.224) 20.613 13.943 ( -2.312 23.245 -34.152) 41.376 14.394 ( -6.334 -6.750 -5.081) 10.560 15.499 ( 7.074 1.424 37.450) 38.139 16.705 ( -39.280 -9.985 46.779) 61.895 17.517 ( 3.882 -9.586 -4.476) 11.269 17.713 ( 2.345 -13.596 -2.036) 13.946 28.346 ( 1.347 7.405 2.519) 7.937 28.602 ( -10.076 19.789 -5.420) 22.859 29.141 ( 0.798 4.321 -1.728) 4.722 29.195 ( -0.686 4.442 -1.894) 4.878 31.578 ( 20.679 -7.063 -10.675) 24.320 31.859 ( 1.094 -2.230 -1.977) 3.174 32.705 ( 0.810 -2.153 -0.325) 2.323 32.824 ( -1.277 -4.095 -2.350) 4.891 83.245 ( -0.845 -0.881 0.504) 1.321 83.373 ( 0.599 -2.628 -2.870) 3.937 84.271 ( 13.070 -7.567 27.873) 31.701 85.629 ( -35.835 -66.233 86.714) 114.849 ======================= Grid point 82 (30/144) ======================= q-point: ( 0.40 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 16.360 7.923 7.265) 19.575 1.266 ( 15.676 10.193 10.634) 21.511 1.476 ( -11.796 9.284 6.820) 16.487 1.688 ( -19.380 11.773 7.885) 24.008 2.160 ( 30.067 22.177 13.438) 39.704 2.733 ( -26.290 13.816 5.661) 30.234 2.885 ( 4.150 16.637 -0.703) 17.161 2.999 ( -5.238 15.815 -1.458) 16.724 3.685 ( 9.592 1.565 -0.359) 9.725 3.876 ( -9.625 0.346 -0.776) 9.662 4.620 ( 10.937 -0.744 4.107) 11.706 4.775 ( -5.691 -1.474 3.997) 7.109 7.380 ( 7.507 -1.070 6.639) 10.078 7.538 ( -8.162 -4.817 6.915) 11.732 7.687 ( -2.102 9.211 1.621) 9.586 7.710 ( -2.858 2.936 0.770) 4.169 8.709 ( 3.045 3.353 -0.954) 4.628 8.767 ( -3.034 4.371 1.060) 5.426 9.089 ( 9.061 11.438 -1.805) 14.703 9.259 ( -8.576 11.262 0.730) 14.174 10.803 ( 3.848 0.885 -13.816) 14.369 10.860 ( -2.208 -0.842 -10.304) 10.572 11.446 ( 23.028 -25.865 -9.782) 35.986 11.764 ( -10.149 -30.417 -5.781) 32.582 11.901 ( 7.363 -12.900 11.675) 18.893 12.083 ( -13.036 -3.894 6.778) 15.201 12.225 ( 1.528 6.984 0.694) 7.183 12.260 ( -2.271 7.525 1.348) 7.975 13.403 ( 8.972 27.936 -33.162) 44.280 13.529 ( -1.831 18.978 -25.928) 32.184 14.001 ( 10.085 6.307 -18.122) 21.677 14.225 ( -11.284 -3.766 -8.772) 14.780 15.703 ( 14.814 1.484 43.185) 45.679 16.081 ( -25.948 0.081 49.979) 56.313 17.603 ( 5.004 -9.539 -4.733) 11.766 17.690 ( -3.684 -10.901 -4.314) 12.289 28.385 ( 2.857 9.047 2.055) 9.707 28.459 ( -5.311 12.844 0.633) 13.913 29.159 ( 1.065 4.380 -1.779) 4.845 29.179 ( -1.003 4.364 -1.857) 4.848 31.830 ( 6.417 -6.782 -9.629) 13.413 31.877 ( 0.164 -3.796 -4.683) 6.031 32.738 ( 2.509 -3.037 -1.505) 4.217 32.788 ( -2.475 -3.798 -2.206) 5.042 83.271 ( 3.064 -0.752 -2.800) 4.218 83.339 ( -3.451 -1.404 -4.498) 5.840 84.587 ( 19.739 -14.113 37.533) 44.694 85.022 ( -27.042 -28.264 57.588) 69.617 ======================= Grid point 85 (31/144) ======================= q-point: ( 0.00 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 19.205 16.077) 25.046 1.177 ( 0.000 23.767 7.834) 25.025 2.026 ( 0.000 8.839 3.508) 9.509 2.267 ( 0.000 47.308 12.609) 48.960 2.484 ( 0.000 12.621 6.213) 14.068 2.808 ( 0.000 10.065 -4.326) 10.955 3.287 ( 0.000 9.399 0.799) 9.433 3.674 ( 0.000 27.295 -4.763) 27.708 4.026 ( 0.000 -3.926 -0.237) 3.933 4.076 ( 0.000 16.068 -2.576) 16.273 4.192 ( 0.000 12.441 9.649) 15.744 4.812 ( 0.000 -3.655 5.038) 6.224 7.314 ( 0.000 4.630 3.769) 5.970 7.525 ( 0.000 -7.394 9.868) 12.331 7.730 ( 0.000 -3.300 -0.907) 3.423 8.174 ( 0.000 -2.668 1.645) 3.135 8.962 ( 0.000 8.808 -3.100) 9.337 9.035 ( 0.000 20.390 -10.658) 23.008 9.069 ( 0.000 10.170 1.146) 10.234 9.725 ( 0.000 -2.875 -5.453) 6.164 10.002 ( 0.000 3.846 6.389) 7.457 10.758 ( 0.000 1.272 -15.649) 15.700 10.899 ( 0.000 -1.844 -6.621) 6.873 11.312 ( 0.000 -27.739 -1.508) 27.780 11.652 ( 0.000 -0.866 20.359) 20.378 12.378 ( 0.000 11.872 -0.275) 11.876 12.477 ( 0.000 12.447 -1.157) 12.500 12.599 ( 0.000 -0.588 -0.464) 0.748 13.115 ( 0.000 -2.748 3.716) 4.622 13.811 ( 0.000 23.564 -40.707) 47.035 14.245 ( 0.000 -13.582 -3.253) 13.966 14.319 ( 0.000 9.141 -32.120) 33.395 15.477 ( 0.000 3.250 32.811) 32.972 16.749 ( 0.000 -21.601 31.251) 37.990 17.220 ( 0.000 -12.951 -5.811) 14.195 17.401 ( 0.000 -13.285 1.996) 13.434 28.521 ( 0.000 11.912 2.192) 12.112 29.085 ( 0.000 12.566 -12.112) 17.453 29.244 ( 0.000 7.226 -1.134) 7.314 29.328 ( 0.000 7.832 -1.278) 7.935 31.318 ( 0.000 3.443 2.095) 4.030 31.805 ( 0.000 -2.400 -0.894) 2.561 32.644 ( 0.000 -3.731 -0.121) 3.733 32.724 ( 0.000 -7.111 -1.778) 7.330 83.240 ( 0.000 -3.555 4.158) 5.470 83.279 ( 0.000 -1.052 -3.224) 3.392 84.016 ( 0.000 -7.483 21.900) 23.143 84.702 ( 0.000 -41.953 67.920) 79.832 ======================= Grid point 86 (32/144) ======================= q-point: ( 0.20 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 5.526 19.435 9.720) 22.422 1.278 ( 10.231 19.453 11.661) 24.881 1.911 ( -11.126 9.634 3.143) 15.049 2.268 ( -16.923 11.202 6.711) 21.375 2.411 ( 14.092 44.226 11.566) 47.836 2.960 ( 10.680 11.458 -3.841) 16.128 3.321 ( 2.269 11.520 -0.323) 11.746 3.611 ( -10.657 26.749 -3.468) 29.002 3.788 ( -8.987 13.526 3.559) 16.625 4.037 ( -4.801 2.775 2.289) 5.999 4.418 ( 13.293 7.345 2.331) 15.365 4.798 ( -1.512 -2.852 4.578) 5.602 7.327 ( 1.446 3.301 3.889) 5.302 7.504 ( -2.216 -6.873 9.095) 11.613 7.737 ( 0.823 -1.466 0.015) 1.681 8.046 ( -11.488 4.270 1.983) 12.415 8.790 ( -5.305 7.900 -4.304) 10.444 8.994 ( -5.813 8.967 2.347) 10.941 9.208 ( 9.197 17.389 -4.075) 20.089 9.650 ( -5.164 11.134 -0.206) 12.275 10.364 ( 26.509 -16.977 -3.673) 31.693 10.775 ( 1.693 1.183 -15.137) 15.277 10.908 ( 1.145 -1.615 -7.626) 7.879 11.283 ( -3.237 -27.850 -1.961) 28.106 11.687 ( 3.933 -0.947 18.022) 18.470 12.359 ( -13.899 2.467 -0.796) 14.138 12.389 ( 0.840 11.812 0.299) 11.846 12.508 ( -3.434 10.244 2.596) 11.112 13.298 ( 14.977 -3.878 0.119) 15.472 13.841 ( 2.145 19.781 -35.967) 41.103 14.182 ( -5.040 -7.546 -10.600) 13.953 14.303 ( -2.324 6.188 -28.348) 29.109 15.545 ( 7.137 3.256 33.737) 34.637 16.495 ( -21.566 -10.585 34.108) 41.719 17.272 ( 3.979 -14.730 -4.787) 15.992 17.429 ( 1.328 -15.594 0.067) 15.651 28.543 ( 2.385 12.357 1.992) 12.741 28.948 ( -11.369 15.108 -6.461) 19.981 29.258 ( 1.004 7.455 -1.493) 7.669 29.316 ( -0.937 7.661 -1.170) 7.806 31.484 ( 13.572 -2.142 -2.166) 13.910 31.806 ( 0.031 -2.886 -1.403) 3.209 32.645 ( 0.265 -3.943 -0.263) 3.960 32.715 ( -0.974 -6.886 -1.682) 7.156 83.222 ( 0.142 -1.345 0.290) 1.383 83.318 ( 1.342 -2.664 -3.548) 4.635 84.087 ( 7.294 -10.522 24.968) 28.059 84.633 ( -6.781 -36.140 59.827) 70.224 ======================= Grid point 87 (33/144) ======================= q-point: ( 0.40 0.13 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 11.509 15.560 4.408) 19.850 1.504 ( 7.355 14.219 7.173) 17.542 1.690 ( -5.392 12.282 7.448) 15.343 1.924 ( -18.486 11.725 10.215) 24.157 2.756 ( 20.866 36.135 7.793) 42.449 3.085 ( -4.830 18.297 -0.803) 18.941 3.293 ( -5.009 23.008 -1.020) 23.569 3.349 ( -6.704 18.005 -0.203) 19.213 3.787 ( 5.185 10.491 2.016) 11.875 3.916 ( -7.379 5.178 2.126) 9.262 4.626 ( 8.606 2.413 2.211) 9.207 4.746 ( -4.285 -0.796 3.415) 5.537 7.371 ( 3.250 -0.061 4.830) 5.822 7.443 ( -3.952 -4.218 7.026) 9.098 7.766 ( 2.543 2.690 1.459) 3.979 7.853 ( -7.362 6.829 2.083) 10.256 8.787 ( 3.452 5.026 -0.365) 6.108 8.881 ( -5.873 6.800 1.966) 9.198 9.377 ( 8.718 16.893 -2.185) 19.135 9.532 ( -7.391 15.537 -0.623) 17.217 10.744 ( 9.954 -16.584 -6.369) 20.363 10.805 ( 0.553 -2.212 -12.228) 12.438 10.985 ( 9.135 -10.793 -8.669) 16.586 11.177 ( -8.353 -25.805 -4.029) 27.421 11.814 ( 9.870 -0.596 12.126) 15.646 12.060 ( -15.565 0.181 5.465) 16.498 12.417 ( 1.903 12.266 0.730) 12.434 12.458 ( -2.399 12.441 1.483) 12.757 13.586 ( 14.401 -3.416 -5.106) 15.657 13.807 ( -7.605 4.209 -16.220) 18.402 14.143 ( 2.465 4.608 -25.762) 26.287 14.229 ( -5.080 7.009 -28.931) 30.198 15.746 ( 14.194 2.804 35.786) 38.600 16.078 ( -20.663 -0.487 36.821) 42.226 17.352 ( 4.205 -15.506 -3.826) 16.516 17.418 ( -2.395 -16.206 -2.430) 16.561 28.614 ( 5.217 13.674 1.208) 14.686 28.746 ( -8.987 15.397 -0.982) 17.855 29.277 ( 1.055 7.530 -1.396) 7.730 29.297 ( -1.023 7.525 -1.320) 7.709 31.702 ( 8.142 -5.426 -4.252) 10.669 31.792 ( -2.090 -4.273 -2.846) 5.543 32.660 ( 1.276 -4.878 -0.786) 5.103 32.689 ( -1.641 -6.118 -1.373) 6.481 83.253 ( 2.692 -1.044 -2.827) 4.041 83.305 ( -2.311 -1.838 -4.413) 5.309 84.266 ( 10.769 -17.165 32.187) 38.034 84.468 ( -10.166 -25.745 44.430) 52.347 ======================= Grid point 90 (34/144) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 20.774 7.923) 22.233 1.640 ( 0.000 23.412 4.184) 23.783 2.207 ( 0.000 9.960 1.242) 10.037 2.676 ( 0.000 7.805 6.151) 9.938 2.930 ( 0.000 3.480 -7.734) 8.481 3.180 ( 0.000 44.078 8.243) 44.842 3.435 ( 0.000 4.796 9.232) 10.403 3.922 ( 0.000 -5.258 -1.526) 5.475 4.269 ( 0.000 30.783 -4.092) 31.054 4.443 ( 0.000 17.943 -5.330) 18.718 4.555 ( 0.000 23.929 3.565) 24.193 4.758 ( 0.000 1.212 7.162) 7.264 7.295 ( 0.000 -5.743 5.066) 7.658 7.544 ( 0.000 9.037 5.123) 10.388 7.669 ( 0.000 -2.829 -0.907) 2.971 8.101 ( 0.000 -4.738 3.545) 5.918 9.151 ( 0.000 10.279 -2.847) 10.666 9.256 ( 0.000 9.087 1.932) 9.290 9.330 ( 0.000 5.839 -11.551) 12.943 9.673 ( 0.000 2.987 3.198) 4.376 10.120 ( 0.000 7.599 2.476) 7.992 10.735 ( 0.000 -12.323 -9.815) 15.754 10.847 ( 0.000 -3.682 -5.480) 6.602 10.881 ( 0.000 -8.562 -5.375) 10.109 11.662 ( 0.000 1.564 17.496) 17.566 12.588 ( 0.000 -0.411 0.539) 0.678 12.646 ( 0.000 15.426 -0.872) 15.451 12.742 ( 0.000 13.654 -2.799) 13.938 13.060 ( 0.000 -2.278 5.566) 6.014 13.942 ( 0.000 -17.120 -2.490) 17.300 14.141 ( 0.000 10.809 -32.349) 34.107 14.386 ( 0.000 -0.809 -22.686) 22.700 15.556 ( 0.000 4.658 25.534) 25.955 16.420 ( 0.000 -13.270 20.241) 24.203 16.932 ( 0.000 -16.124 -4.304) 16.688 17.108 ( 0.000 -16.415 1.684) 16.502 28.780 ( 0.000 14.281 1.667) 14.378 29.299 ( 0.000 10.115 -6.881) 12.234 29.402 ( 0.000 8.770 -0.502) 8.784 29.492 ( 0.000 8.642 0.021) 8.642 31.400 ( 0.000 5.030 1.446) 5.234 31.763 ( 0.000 -1.666 -0.660) 1.792 32.558 ( 0.000 -5.054 -0.251) 5.060 32.569 ( 0.000 -8.551 -1.117) 8.624 83.191 ( 0.000 -1.472 0.712) 1.636 83.257 ( 0.000 -1.202 -2.594) 2.859 83.862 ( 0.000 -7.965 17.743) 19.449 84.130 ( 0.000 -20.791 38.537) 43.788 ======================= Grid point 91 (35/144) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 4.396 20.334 5.888) 21.621 1.680 ( 4.919 21.258 5.490) 22.500 2.117 ( -8.763 11.446 0.887) 14.443 2.454 ( -16.368 8.134 6.855) 19.521 3.101 ( 11.645 4.000 -6.845) 14.087 3.264 ( 8.194 40.807 6.814) 42.176 3.492 ( 4.650 5.876 7.137) 10.349 3.890 ( -2.912 -2.168 0.401) 3.653 4.190 ( -8.066 30.216 -3.220) 31.440 4.299 ( -9.115 20.141 2.169) 22.214 4.666 ( 6.555 16.266 -0.955) 17.563 4.784 ( 1.995 5.568 4.525) 7.447 7.307 ( 1.280 -4.898 4.856) 7.015 7.494 ( -4.184 5.403 4.088) 7.963 7.713 ( 3.867 -0.872 0.701) 4.026 8.068 ( -4.113 -0.954 3.068) 5.219 8.946 ( -9.053 7.544 -2.629) 12.074 9.171 ( -6.453 9.418 1.849) 11.566 9.535 ( 10.042 13.999 -6.375) 18.370 9.798 ( 7.790 3.044 -0.429) 8.375 10.163 ( 6.421 -1.455 1.868) 6.844 10.704 ( -3.618 -15.216 -6.621) 16.984 10.867 ( 1.933 -3.660 -6.798) 7.959 10.891 ( 1.077 -5.521 -7.288) 9.206 11.697 ( 3.914 1.577 15.532) 16.095 12.383 ( -15.864 0.815 1.710) 15.977 12.658 ( 1.235 15.488 -0.550) 15.547 12.763 ( -0.494 14.682 -0.218) 14.692 13.202 ( 12.275 -5.620 2.392) 13.711 13.865 ( -7.366 -14.499 -3.174) 16.570 14.181 ( 3.480 7.662 -30.316) 31.462 14.368 ( -1.847 -0.305 -23.224) 23.300 15.621 ( 6.767 4.339 25.295) 26.541 16.306 ( -10.963 -8.768 21.277) 25.491 16.962 ( 2.789 -16.817 -3.760) 17.457 17.106 ( -0.457 -17.321 0.679) 17.340 28.808 ( 2.997 14.434 1.451) 14.813 29.207 ( -8.286 12.032 -4.338) 15.240 29.419 ( 1.137 8.769 -0.954) 8.893 29.479 ( -1.060 8.716 -0.127) 8.781 31.487 ( 7.811 2.144 0.012) 8.100 31.758 ( -0.691 -1.881 -0.906) 2.199 32.555 ( -0.266 -5.343 -0.346) 5.360 32.566 ( -0.350 -8.148 -0.992) 8.215 83.200 ( 1.131 -0.827 -0.780) 1.603 83.275 ( 1.054 -1.775 -3.359) 3.943 83.886 ( 2.642 -9.775 20.252) 22.642 84.110 ( -2.138 -19.939 35.866) 41.092 ======================= Grid point 92 (36/144) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 7.613 18.462 1.585) 20.033 1.807 ( 3.046 16.425 3.317) 17.031 1.952 ( -2.427 14.500 5.696) 15.767 2.146 ( -15.386 11.354 9.502) 21.352 3.304 ( 9.280 4.651 -6.109) 12.044 3.404 ( 1.623 19.092 -0.267) 19.163 3.589 ( 8.446 19.819 4.310) 21.971 3.796 ( -9.246 16.811 4.875) 19.795 4.062 ( -0.926 20.851 1.462) 20.923 4.146 ( -7.208 15.972 4.859) 18.184 4.765 ( 3.768 12.224 -0.925) 12.825 4.804 ( -0.321 9.903 0.981) 9.956 7.345 ( 2.811 -2.571 4.431) 5.844 7.412 ( -4.175 0.946 4.052) 5.895 7.808 ( 6.224 1.497 1.720) 6.628 7.945 ( -7.875 2.895 2.261) 8.690 8.907 ( 3.841 7.234 0.108) 8.191 9.030 ( -7.844 8.582 1.403) 11.711 9.701 ( 7.849 15.271 -3.164) 17.459 9.821 ( -4.111 13.094 -1.762) 13.837 10.374 ( 13.114 -16.196 -1.072) 20.867 10.587 ( -8.846 -18.059 -3.200) 20.362 10.904 ( 1.485 -3.565 -7.627) 8.549 10.912 ( 0.639 -2.548 -9.012) 9.387 11.827 ( 10.163 1.567 10.546) 14.730 12.075 ( -15.584 1.307 5.367) 16.534 12.691 ( 2.088 15.554 0.112) 15.694 12.733 ( -2.221 15.413 0.491) 15.580 13.451 ( 13.268 -9.214 -0.286) 16.156 13.686 ( -11.267 -12.036 -2.125) 16.623 14.252 ( 3.828 4.210 -27.721) 28.299 14.319 ( -3.171 1.388 -25.006) 25.245 15.803 ( 12.052 2.696 24.522) 27.456 16.057 ( -14.224 -1.685 23.157) 27.229 17.024 ( 3.450 -17.673 -2.657) 18.202 17.081 ( -2.325 -18.026 -1.135) 18.210 28.894 ( 6.101 14.682 0.654) 15.912 29.037 ( -8.802 14.231 -1.176) 16.774 29.439 ( 1.039 8.764 -0.788) 8.861 29.459 ( -1.042 8.719 -0.521) 8.796 31.636 ( 6.785 -1.351 -1.478) 7.074 31.727 ( -2.950 -2.202 -1.447) 3.955 32.552 ( 0.069 -6.110 -0.529) 6.133 32.558 ( -0.456 -7.216 -0.768) 7.271 83.235 ( 2.318 -0.708 -2.847) 3.739 83.273 ( -1.335 -1.376 -4.017) 4.451 83.959 ( 4.813 -13.863 24.945) 28.941 84.049 ( -4.244 -17.556 30.254) 35.236 ======================= Grid point 95 (37/144) ======================= q-point: ( 0.00 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 19.124 2.032) 19.232 2.082 ( 0.000 21.894 2.293) 22.014 2.410 ( 0.000 10.683 0.288) 10.687 2.799 ( 0.000 5.461 4.923) 7.353 2.974 ( 0.000 1.415 -8.511) 8.628 3.475 ( 0.000 -0.247 11.493) 11.496 3.800 ( 0.000 -7.121 -2.048) 7.410 3.911 ( 0.000 26.611 3.689) 26.866 4.589 ( 0.000 5.417 1.477) 5.615 4.853 ( 0.000 28.094 -3.885) 28.361 5.053 ( 0.000 23.474 0.801) 23.488 5.058 ( 0.000 26.095 -0.057) 26.095 7.201 ( 0.000 -3.151 4.673) 5.636 7.620 ( 0.000 -2.229 -0.571) 2.301 7.768 ( 0.000 12.866 0.241) 12.869 8.004 ( 0.000 -4.666 4.356) 6.383 9.274 ( 0.000 -6.649 -4.971) 8.302 9.347 ( 0.000 9.426 -3.088) 9.919 9.439 ( 0.000 10.078 0.358) 10.085 9.862 ( 0.000 11.779 -0.221) 11.782 10.259 ( 0.000 5.799 0.032) 5.799 10.399 ( 0.000 -15.704 -0.202) 15.706 10.753 ( 0.000 -5.949 -3.563) 6.935 10.841 ( 0.000 -1.895 -10.028) 10.205 11.708 ( 0.000 3.099 14.103) 14.439 12.585 ( 0.000 0.164 1.825) 1.832 12.891 ( 0.000 -0.447 1.448) 1.516 12.969 ( 0.000 17.074 -2.154) 17.210 13.117 ( 0.000 9.298 3.243) 9.847 13.600 ( 0.000 -16.861 -1.765) 16.953 14.250 ( 0.000 0.588 -20.672) 20.681 14.338 ( 0.000 -2.835 -16.393) 16.636 15.646 ( 0.000 4.286 15.993) 16.557 16.205 ( 0.000 -9.214 12.218) 15.303 16.613 ( 0.000 -16.129 -2.902) 16.388 16.778 ( 0.000 -17.067 1.432) 17.127 29.063 ( 0.000 14.432 1.209) 14.482 29.488 ( 0.000 9.218 -4.190) 10.126 29.574 ( 0.000 8.571 0.158) 8.572 29.652 ( 0.000 7.539 1.096) 7.619 31.512 ( 0.000 6.319 0.740) 6.362 31.745 ( 0.000 -0.137 -0.560) 0.577 32.400 ( 0.000 -8.702 -0.606) 8.723 32.450 ( 0.000 -5.923 -0.369) 5.935 83.179 ( 0.000 0.022 -0.809) 0.809 83.234 ( 0.000 -1.066 -1.918) 2.195 83.715 ( 0.000 -6.918 13.275) 14.969 83.813 ( 0.000 -12.737 22.160) 25.560 ======================= Grid point 96 (38/144) ======================= q-point: ( 0.20 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 3.641 18.668 1.402) 19.071 2.092 ( 1.459 20.760 2.796) 20.998 2.351 ( -5.808 12.434 -0.145) 13.725 2.601 ( -13.290 7.259 4.970) 15.938 3.142 ( 10.709 0.780 -7.304) 12.986 3.525 ( 3.026 -0.312 7.921) 8.485 3.779 ( 0.020 -4.778 0.272) 4.786 3.957 ( 3.492 19.486 4.313) 20.261 4.531 ( -4.309 12.441 3.027) 13.510 4.807 ( -7.061 29.406 -4.400) 30.560 5.013 ( 2.533 22.367 2.204) 22.618 5.136 ( 2.593 23.052 -2.084) 23.291 7.227 ( 2.801 -2.586 4.351) 5.785 7.600 ( -6.067 3.752 -0.773) 7.175 7.714 ( 1.410 1.289 2.531) 3.171 8.051 ( 1.042 0.211 2.396) 2.621 9.068 ( -7.084 4.771 -2.326) 8.852 9.368 ( -6.396 10.787 -0.112) 12.541 9.639 ( 16.224 -1.003 -5.348) 17.112 9.923 ( 5.673 10.679 0.436) 12.100 10.230 ( -2.823 3.635 -0.627) 4.645 10.377 ( -2.666 -13.399 0.596) 13.674 10.776 ( 2.370 -5.533 -4.327) 7.413 10.855 ( 1.133 -2.284 -9.346) 9.687 11.742 ( 3.876 3.051 12.719) 13.642 12.401 ( -14.888 1.119 3.137) 15.256 12.975 ( 1.790 14.505 0.551) 14.625 13.007 ( 5.456 5.934 -2.325) 8.389 13.127 ( 2.597 3.349 3.732) 5.647 13.550 ( -5.097 -16.048 -1.396) 16.895 14.259 ( 0.851 -0.087 -20.047) 20.065 14.327 ( -1.015 -2.696 -16.657) 16.904 15.701 ( 5.612 3.624 15.516) 16.893 16.152 ( -5.413 -7.088 12.534) 15.384 16.633 ( 2.031 -16.439 -2.515) 16.754 16.766 ( -1.223 -17.270 0.906) 17.337 29.091 ( 2.994 14.328 1.035) 14.674 29.426 ( -5.743 10.511 -2.717) 12.282 29.588 ( 1.030 8.339 -0.260) 8.407 29.642 ( -0.918 7.702 0.816) 7.800 31.556 ( 4.216 4.726 0.210) 6.337 31.738 ( -0.772 -0.064 -0.651) 1.011 32.402 ( 0.308 -8.389 -0.576) 8.414 32.443 ( -0.702 -6.116 -0.372) 6.167 83.193 ( 1.458 0.129 -1.403) 2.028 83.247 ( 0.968 -1.100 -2.619) 3.001 83.714 ( 0.072 -7.834 15.036) 16.954 83.801 ( -1.235 -12.539 21.083) 24.561 ======================= Grid point 97 (39/144) ======================= q-point: ( 0.40 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 5.339 17.936 -0.505) 18.721 2.135 ( 0.012 17.178 1.002) 17.207 2.245 ( -1.054 15.248 3.337) 15.645 2.371 ( -10.558 11.734 6.652) 17.129 3.333 ( 9.532 -0.578 -6.279) 11.429 3.490 ( -6.381 -1.023 -2.678) 6.995 3.865 ( 7.648 -2.544 7.349) 10.907 3.979 ( -2.637 5.261 6.409) 8.701 4.503 ( 2.907 26.216 2.506) 26.496 4.634 ( -9.491 31.304 -0.618) 32.717 5.091 ( 4.196 20.628 -1.042) 21.076 5.147 ( -1.376 21.279 -2.383) 21.456 7.308 ( 5.779 -0.843 3.448) 6.782 7.444 ( -8.366 2.059 1.996) 8.844 7.822 ( 8.169 -0.044 1.442) 8.295 7.982 ( -7.514 1.233 1.365) 7.736 9.063 ( 5.597 8.673 -0.929) 10.364 9.215 ( -9.038 10.371 -0.395) 13.762 9.900 ( 10.736 1.633 -5.737) 12.282 10.014 ( 0.567 7.968 -1.765) 8.181 10.191 ( 1.436 -2.940 0.524) 3.313 10.291 ( -6.197 -9.060 1.721) 11.111 10.831 ( 2.868 -4.429 -5.726) 7.787 10.865 ( -0.527 -3.246 -7.572) 8.255 11.869 ( 9.803 2.715 9.248) 13.748 12.108 ( -14.943 2.035 5.659) 16.108 13.005 ( 1.668 15.750 0.013) 15.838 13.034 ( -1.134 14.148 -0.096) 14.194 13.255 ( 8.928 -9.779 1.281) 13.303 13.421 ( -8.178 -13.793 -0.371) 16.039 14.279 ( 1.217 -1.321 -18.685) 18.771 14.304 ( -1.361 -2.230 -17.436) 17.631 15.843 ( 8.857 1.364 14.447) 17.001 16.014 ( -8.706 -2.615 13.358) 16.157 16.682 ( 2.817 -17.030 -1.555) 17.331 16.732 ( -2.344 -17.393 -0.291) 17.553 29.174 ( 5.670 13.847 0.421) 14.969 29.298 ( -7.160 12.579 -0.840) 14.499 29.607 ( 0.915 8.117 -0.118) 8.169 29.624 ( -0.931 7.909 0.275) 7.968 31.644 ( 4.436 2.020 -0.558) 4.906 31.710 ( -2.426 0.431 -0.780) 2.585 32.412 ( 0.668 -7.593 -0.494) 7.638 32.427 ( -0.920 -6.709 -0.408) 6.784 83.228 ( 1.938 0.025 -2.623) 3.261 83.254 ( -0.550 -0.588 -3.379) 3.474 83.728 ( 1.589 -10.004 17.746) 20.433 83.767 ( -2.211 -11.779 19.383) 22.789 ======================= Grid point 100 (40/144) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 15.927 -1.394) 15.988 2.489 ( 0.000 19.828 1.126) 19.860 2.616 ( 0.000 10.170 0.236) 10.173 2.907 ( 0.000 5.992 2.169) 6.372 2.992 ( 0.000 0.487 -7.830) 7.845 3.437 ( 0.000 -3.540 10.225) 10.821 3.647 ( 0.000 -8.396 -3.084) 8.944 4.062 ( 0.000 -6.165 1.425) 6.328 4.933 ( 0.000 25.403 2.544) 25.530 5.335 ( 0.000 20.929 -2.838) 21.120 5.496 ( 0.000 20.671 -1.508) 20.726 5.526 ( 0.000 21.185 -2.210) 21.300 7.181 ( 0.000 1.068 2.603) 2.813 7.577 ( 0.000 -2.400 -0.016) 2.401 7.938 ( 0.000 -1.653 3.814) 4.156 8.010 ( 0.000 10.940 -2.163) 11.152 9.172 ( 0.000 -2.535 -2.727) 3.723 9.512 ( 0.000 7.437 -4.612) 8.751 9.646 ( 0.000 10.810 -1.748) 10.950 10.017 ( 0.000 0.827 0.507) 0.970 10.207 ( 0.000 -0.996 -1.219) 1.574 10.327 ( 0.000 1.187 -0.889) 1.483 10.618 ( 0.000 -7.728 -1.419) 7.857 10.769 ( 0.000 -5.472 -6.761) 8.698 11.784 ( 0.000 4.763 10.475) 11.507 12.595 ( 0.000 0.839 3.245) 3.352 12.830 ( 0.000 -4.154 4.087) 5.827 13.111 ( 0.000 -14.579 1.857) 14.696 13.306 ( 0.000 16.409 -1.771) 16.504 13.481 ( 0.000 8.381 -1.268) 8.477 14.190 ( 0.000 -5.050 -12.591) 13.566 14.291 ( 0.000 -2.863 -10.511) 10.894 15.719 ( 0.000 3.202 8.469) 9.054 16.055 ( 0.000 -6.298 7.589) 9.861 16.320 ( 0.000 -13.621 -1.840) 13.745 16.459 ( 0.000 -15.278 1.430) 15.344 29.331 ( 0.000 12.895 0.881) 12.925 29.653 ( 0.000 7.571 -2.606) 8.007 29.727 ( 0.000 6.921 0.670) 6.953 29.777 ( 0.000 5.123 1.740) 5.410 31.643 ( 0.000 7.111 0.115) 7.112 31.758 ( 0.000 1.515 -0.553) 1.613 32.236 ( 0.000 -7.995 -0.298) 8.001 32.330 ( 0.000 -6.417 -0.452) 6.433 83.187 ( 0.000 0.712 -0.601) 0.932 83.217 ( 0.000 -0.714 -1.203) 1.399 83.596 ( 0.000 -5.247 9.053) 10.464 83.614 ( 0.000 -7.924 11.884) 14.283 ======================= Grid point 101 (41/144) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.213 15.879 -1.543) 16.274 2.482 ( -0.389 19.040 1.600) 19.111 2.592 ( -2.740 12.091 -0.273) 12.401 2.746 ( -9.425 7.791 1.601) 12.333 3.143 ( 8.789 -0.547 -6.709) 11.071 3.485 ( 2.776 -3.567 7.456) 8.719 3.634 ( 0.530 -8.815 -0.949) 8.882 4.027 ( -3.891 -7.272 2.708) 8.681 4.962 ( 3.202 26.535 1.960) 26.799 5.325 ( -3.286 22.964 -4.391) 23.610 5.442 ( -0.783 20.091 0.759) 20.121 5.560 ( 0.792 19.489 -2.950) 19.727 7.215 ( 3.618 1.306 2.488) 4.581 7.623 ( 3.312 -0.911 -0.742) 3.515 7.751 ( -10.288 2.226 2.703) 10.868 8.090 ( 0.132 2.932 -0.140) 2.939 9.146 ( 0.674 4.292 -2.901) 5.224 9.584 ( -6.231 11.059 -2.152) 12.874 9.646 ( 11.081 2.286 -4.379) 12.132 10.066 ( 3.960 -2.177 1.160) 4.665 10.168 ( -3.120 2.276 -2.721) 4.724 10.332 ( -0.341 1.629 0.696) 1.804 10.649 ( 3.193 -7.434 -2.424) 8.446 10.779 ( 0.761 -5.456 -6.262) 8.341 11.816 ( 3.616 4.596 9.788) 11.402 12.429 ( -13.616 1.923 4.290) 14.404 12.912 ( 5.396 -6.893 3.450) 9.409 13.097 ( -1.423 -14.647 2.027) 14.855 13.316 ( 1.066 16.134 -1.605) 16.249 13.455 ( -2.565 9.704 -1.229) 10.113 14.197 ( 0.718 -4.871 -12.292) 13.242 14.278 ( -1.298 -3.081 -10.641) 11.154 15.760 ( 4.117 2.478 8.254) 9.551 16.031 ( -2.466 -5.217 7.531) 9.488 16.336 ( 1.599 -13.782 -1.505) 13.956 16.448 ( -1.156 -15.079 1.135) 15.166 29.356 ( 2.596 12.653 0.775) 12.939 29.614 ( -3.825 8.648 -1.636) 9.597 29.734 ( 0.602 6.437 0.340) 6.474 29.770 ( -0.634 5.317 1.420) 5.540 31.664 ( 1.976 6.154 -0.075) 6.464 31.755 ( -0.391 1.752 -0.572) 1.884 32.244 ( 0.811 -7.808 -0.315) 7.856 32.320 ( -1.022 -6.525 -0.439) 6.619 83.202 ( 1.517 0.760 -0.935) 1.937 83.231 ( 1.306 -0.496 -1.766) 2.252 83.580 ( -1.304 -5.939 10.491) 12.125 83.605 ( -1.038 -7.772 11.188) 13.662 ======================= Grid point 102 (42/144) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 5.184 16.157 -1.716) 17.054 2.473 ( -2.661 17.380 0.173) 17.583 2.533 ( -0.500 14.017 1.228) 14.080 2.599 ( -5.931 11.623 2.993) 13.388 3.300 ( 8.033 -2.665 -5.808) 10.264 3.440 ( -6.222 -3.822 -2.856) 7.840 3.745 ( 9.189 -8.685 6.333) 14.141 3.914 ( -7.882 -8.527 5.190) 12.719 5.057 ( 6.741 27.338 0.308) 28.159 5.202 ( -8.023 26.131 -1.964) 27.405 5.485 ( 3.619 18.278 -1.271) 18.676 5.545 ( -2.299 18.378 -2.672) 18.713 7.320 ( 7.514 2.111 2.119) 8.087 7.495 ( -10.737 3.406 1.355) 11.346 7.802 ( 9.535 -2.175 0.773) 9.811 7.991 ( -9.196 -0.650 0.167) 9.220 9.244 ( 8.752 9.871 -2.863) 13.499 9.428 ( -9.725 11.277 -2.630) 15.121 9.859 ( 10.613 -2.101 -4.061) 11.556 10.030 ( -7.157 -5.258 -2.899) 9.342 10.204 ( 5.563 5.583 0.732) 7.915 10.295 ( -3.593 3.091 1.566) 4.991 10.724 ( 4.069 -6.467 -3.828) 8.546 10.778 ( -1.349 -5.694 -5.104) 7.765 11.933 ( 9.127 4.042 7.993) 12.787 12.157 ( -14.032 3.147 5.932) 15.556 12.998 ( 3.768 -11.457 2.951) 12.416 13.058 ( -2.640 -14.181 2.461) 14.633 13.346 ( 2.163 15.107 -1.337) 15.319 13.398 ( -3.133 12.698 -1.208) 13.134 14.217 ( 1.392 -4.345 -11.633) 12.496 14.248 ( -1.755 -3.650 -11.023) 11.743 15.858 ( 5.814 0.402 7.832) 9.763 15.962 ( -4.792 -2.542 7.551) 9.298 16.375 ( 2.293 -14.179 -0.670) 14.379 16.417 ( -2.034 -14.651 0.337) 14.795 29.426 ( 4.651 11.860 0.395) 12.745 29.523 ( -5.354 10.436 -0.400) 11.736 29.746 ( 0.599 5.954 0.404) 5.998 29.757 ( -0.650 5.638 0.830) 5.735 31.706 ( 2.233 4.200 -0.403) 4.774 31.740 ( -1.276 2.591 -0.567) 2.943 32.265 ( 1.418 -7.347 -0.356) 7.491 32.294 ( -1.552 -6.854 -0.402) 7.039 83.236 ( 1.635 0.770 -1.919) 2.636 83.250 ( 0.265 0.252 -2.571) 2.597 83.563 ( -0.123 -7.109 11.766) 13.747 83.579 ( -1.482 -7.801 11.452) 13.936 ======================= Grid point 105 (43/144) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.000 12.934 -2.437) 13.161 2.796 ( 0.000 8.368 -0.651) 8.393 2.832 ( 0.000 12.792 -2.184) 12.977 3.012 ( 0.000 3.953 -3.449) 5.246 3.040 ( 0.000 7.560 -0.257) 7.565 3.334 ( 0.000 -7.202 6.188) 9.495 3.484 ( 0.000 -7.950 -2.970) 8.487 3.858 ( 0.000 -13.101 1.596) 13.198 5.392 ( 0.000 19.939 0.317) 19.942 5.653 ( 0.000 11.394 -1.892) 11.550 5.832 ( 0.000 13.513 -2.350) 13.716 5.863 ( 0.000 13.045 -3.407) 13.483 7.236 ( 0.000 4.311 0.627) 4.357 7.519 ( 0.000 -3.650 0.010) 3.650 7.949 ( 0.000 2.670 2.804) 3.872 8.149 ( 0.000 2.646 -1.653) 3.120 9.211 ( 0.000 6.815 -3.851) 7.828 9.620 ( 0.000 2.832 -6.935) 7.491 9.842 ( 0.000 8.699 -3.257) 9.289 9.964 ( 0.000 -2.287 1.444) 2.705 10.278 ( 0.000 3.882 -2.949) 4.875 10.324 ( 0.000 -0.571 -0.817) 0.997 10.464 ( 0.000 -7.456 0.566) 7.478 10.638 ( 0.000 -7.630 -3.911) 8.574 11.904 ( 0.000 8.008 7.612) 11.049 12.618 ( 0.000 1.446 4.443) 4.672 12.724 ( 0.000 -11.629 2.418) 11.877 12.790 ( 0.000 -10.892 5.153) 12.050 13.597 ( 0.000 12.933 -2.842) 13.242 13.697 ( 0.000 11.761 0.151) 11.762 14.083 ( 0.000 -5.841 -8.853) 10.606 14.212 ( 0.000 -5.197 -4.578) 6.926 15.776 ( 0.000 2.898 3.942) 4.892 15.962 ( 0.000 -3.072 4.953) 5.829 16.090 ( 0.000 -9.947 -1.051) 10.002 16.196 ( 0.000 -11.416 1.746) 11.549 29.557 ( 0.000 10.086 0.685) 10.109 29.772 ( 0.000 4.231 -1.543) 4.504 29.837 ( 0.000 4.316 0.935) 4.416 29.850 ( 0.000 2.542 1.988) 3.227 31.785 ( 0.000 7.323 -0.364) 7.332 31.802 ( 0.000 2.949 -0.558) 3.002 32.091 ( 0.000 -6.795 -0.147) 6.797 32.202 ( 0.000 -6.696 -0.478) 6.713 83.201 ( 0.000 0.609 0.534) 0.810 83.207 ( 0.000 -0.254 -0.344) 0.427 83.498 ( 0.000 -4.100 5.274) 6.680 83.511 ( 0.000 -3.487 5.410) 6.436 ======================= Grid point 106 (44/144) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.691 13.391 -2.414) 14.098 2.784 ( -0.597 10.484 -0.066) 10.502 2.833 ( -0.750 11.625 -2.250) 11.865 2.921 ( -5.074 12.023 0.386) 13.056 3.129 ( 5.010 -0.369 -4.862) 6.991 3.386 ( 4.616 -7.096 7.086) 11.039 3.455 ( -2.187 -8.759 -3.700) 9.756 3.817 ( -4.236 -13.000 2.338) 13.871 5.425 ( 3.436 19.805 -0.127) 20.101 5.672 ( 1.465 12.227 -2.888) 12.648 5.777 ( -3.917 14.118 -1.435) 14.721 5.869 ( -0.633 11.801 -3.244) 12.255 7.273 ( 4.000 4.473 0.746) 6.047 7.575 ( 5.761 -3.771 -0.107) 6.886 7.815 ( -11.369 4.552 1.906) 12.393 8.114 ( -5.420 -1.269 -0.662) 5.605 9.274 ( 6.774 9.181 -4.346) 12.209 9.694 ( 6.820 1.490 -6.344) 9.433 9.789 ( -5.263 9.357 -3.744) 11.369 9.989 ( 1.359 -2.199 0.309) 2.603 10.259 ( -0.541 3.306 -2.467) 4.160 10.347 ( 0.877 0.656 0.779) 1.344 10.497 ( 3.621 -7.738 -0.733) 8.575 10.650 ( 0.847 -7.551 -3.597) 8.406 11.932 ( 3.158 7.729 7.429) 11.176 12.478 ( -11.693 3.165 5.060) 13.128 12.738 ( 0.377 -15.494 2.369) 15.678 12.796 ( -0.192 -9.382 5.035) 10.649 13.604 ( 0.693 12.881 -2.518) 13.143 13.683 ( -1.378 11.983 -0.121) 12.062 14.093 ( 1.028 -5.744 -8.381) 10.212 14.197 ( -1.537 -5.226 -4.964) 7.370 15.804 ( 2.773 2.314 3.955) 5.356 15.954 ( -0.888 -2.515 4.731) 5.431 16.104 ( 1.411 -9.963 -0.732) 10.089 16.190 ( -0.642 -11.107 1.530) 11.230 29.576 ( 2.031 9.798 0.654) 10.027 29.756 ( -1.941 5.634 -1.013) 6.045 29.829 ( -0.408 2.956 1.140) 3.195 29.849 ( -0.274 3.033 1.357) 3.334 31.791 ( 0.546 6.740 -0.393) 6.774 31.804 ( 0.172 3.228 -0.548) 3.278 32.101 ( 1.020 -6.776 -0.207) 6.855 32.191 ( -1.133 -6.687 -0.469) 6.798 83.218 ( 1.705 0.678 0.193) 1.845 83.228 ( 1.933 0.133 -0.535) 2.010 83.479 ( -1.790 -4.158 5.704) 7.282 83.495 ( -1.674 -3.981 5.473) 6.972 ======================= Grid point 107 (45/144) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 6.076 14.405 -2.230) 15.792 2.779 ( -1.501 11.488 -1.535) 11.687 2.799 ( -1.661 14.235 0.341) 14.336 2.829 ( -3.993 13.165 0.563) 13.769 3.232 ( 6.073 -4.225 -4.915) 8.882 3.348 ( -5.723 -5.483 -3.071) 8.500 3.547 ( 8.544 -11.301 4.633) 14.906 3.704 ( -7.520 -12.445 3.813) 15.032 5.515 ( 5.867 19.149 -1.252) 20.067 5.631 ( -5.762 17.604 -2.897) 18.748 5.769 ( 3.093 10.512 -1.394) 11.046 5.833 ( -2.991 10.760 -2.716) 11.494 7.390 ( 8.332 4.969 0.967) 9.750 7.582 ( -11.451 5.519 1.031) 12.753 7.736 ( 10.036 -4.517 0.160) 11.007 7.946 ( -11.145 -4.028 -0.207) 11.852 9.448 ( 10.699 10.992 -4.720) 16.049 9.645 ( -9.411 10.648 -4.543) 14.919 9.843 ( 7.804 -0.319 -5.167) 9.365 9.964 ( -4.355 -1.551 -3.176) 5.609 10.285 ( 2.998 2.675 0.293) 4.028 10.338 ( -1.894 1.565 1.479) 2.868 10.585 ( 4.762 -7.568 -2.034) 9.170 10.648 ( -1.575 -7.471 -2.918) 8.174 12.036 ( 8.160 6.841 6.869) 12.672 12.238 ( -12.623 5.313 5.998) 14.952 12.747 ( 0.890 -15.295 3.226) 15.657 12.774 ( -1.743 -12.367 4.269) 13.198 13.623 ( 1.306 12.728 -1.732) 12.911 13.652 ( -1.733 12.414 -0.830) 12.562 14.121 ( 1.867 -5.532 -7.243) 9.303 14.160 ( -2.182 -5.336 -5.963) 8.294 15.868 ( 3.507 0.802 4.048) 5.416 15.924 ( -2.325 -1.044 4.319) 5.015 16.137 ( 1.913 -10.100 0.042) 10.280 16.170 ( -1.474 -10.508 0.908) 10.650 29.630 ( 3.483 8.943 0.497) 9.610 29.700 ( -3.661 7.578 0.017) 8.416 29.830 ( 0.416 2.456 0.814) 2.621 29.840 ( -0.601 2.832 0.925) 3.039 31.801 ( 0.482 5.404 -0.456) 5.445 31.806 ( -0.041 4.078 -0.513) 4.110 32.128 ( 1.718 -6.726 -0.331) 6.949 32.162 ( -1.788 -6.686 -0.427) 6.935 83.256 ( 1.820 1.247 -0.739) 2.327 83.264 ( 1.210 1.115 -1.305) 2.100 83.446 ( -1.033 -4.938 6.631) 8.332 83.457 ( -1.889 -4.908 6.184) 8.118 ======================= Grid point 110 (46/144) ======================= q-point: ( 0.00 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 8.785 -2.916) 9.256 2.882 ( 0.000 -3.355 -5.509) 6.450 2.957 ( 0.000 8.793 -1.678) 8.951 3.136 ( 0.000 -7.297 2.517) 7.718 3.191 ( 0.000 7.656 -1.004) 7.722 3.269 ( 0.000 11.317 -0.952) 11.357 3.345 ( 0.000 -5.144 -0.218) 5.148 3.578 ( 0.000 -15.291 1.579) 15.372 5.684 ( 0.000 9.880 -1.030) 9.934 5.773 ( 0.000 0.836 -1.475) 1.695 6.015 ( 0.000 5.136 -3.011) 5.953 6.028 ( 0.000 3.862 -3.549) 5.245 7.334 ( 0.000 5.395 -0.455) 5.415 7.436 ( 0.000 -4.859 -0.472) 4.882 8.030 ( 0.000 5.157 1.805) 5.464 8.126 ( 0.000 -3.991 0.336) 4.005 9.403 ( 0.000 11.326 -6.247) 12.935 9.589 ( 0.000 -6.287 -7.740) 9.971 9.958 ( 0.000 2.585 -3.048) 3.997 9.958 ( 0.000 1.169 -0.392) 1.232 10.315 ( 0.000 0.233 -2.427) 2.438 10.322 ( 0.000 -0.809 -1.402) 1.619 10.382 ( 0.000 1.604 1.146) 1.971 10.487 ( 0.000 -7.371 -1.543) 7.531 12.106 ( 0.000 12.821 5.514) 13.957 12.398 ( 0.000 -16.796 3.682) 17.195 12.652 ( 0.000 2.073 5.187) 5.586 12.700 ( 0.000 -2.950 5.550) 6.285 13.807 ( 0.000 9.011 -4.487) 10.066 13.916 ( 0.000 10.263 0.721) 10.288 13.960 ( 0.000 -6.909 -6.273) 9.332 14.089 ( 0.000 -7.548 -0.883) 7.599 15.839 ( 0.000 3.742 1.391) 3.992 15.933 ( 0.000 -6.243 -0.167) 6.245 15.943 ( 0.000 1.401 3.326) 3.609 16.021 ( 0.000 -6.528 2.381) 6.949 29.718 ( 0.000 6.346 0.512) 6.367 29.798 ( 0.000 -1.665 -0.104) 1.668 29.889 ( 0.000 1.390 1.271) 1.884 29.892 ( 0.000 1.267 1.003) 1.616 31.872 ( 0.000 4.144 -0.579) 4.185 31.921 ( 0.000 5.425 -1.088) 5.533 31.977 ( 0.000 -3.720 0.306) 3.733 32.069 ( 0.000 -6.866 -0.384) 6.877 83.206 ( 0.000 0.095 0.674) 0.680 83.208 ( 0.000 0.059 1.249) 1.250 83.451 ( 0.000 -0.802 2.226) 2.366 83.461 ( 0.000 -1.642 2.764) 3.215 ======================= Grid point 111 (47/144) ======================= q-point: ( 0.20 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 4.603 9.119 -2.984) 10.642 2.920 ( 3.489 -1.661 -5.092) 6.392 2.969 ( 1.229 9.659 -1.394) 9.836 3.140 ( -0.282 -2.220 -0.269) 2.254 3.204 ( -0.114 6.804 0.389) 6.816 3.243 ( -0.388 4.500 0.376) 4.532 3.316 ( -2.985 -5.217 -0.655) 6.047 3.541 ( -3.873 -15.161 1.980) 15.773 5.714 ( 3.069 9.726 -1.312) 10.282 5.800 ( 2.760 0.990 -1.774) 3.427 5.978 ( -3.413 6.227 -2.931) 7.682 6.012 ( -1.988 2.804 -3.295) 4.762 7.376 ( 4.458 5.712 -0.257) 7.250 7.485 ( 5.198 -5.288 -0.379) 7.425 7.924 ( -9.960 6.274 1.297) 11.843 8.043 ( -8.459 -5.463 0.360) 10.076 9.482 ( 7.630 11.028 -6.237) 14.789 9.657 ( 6.511 -5.852 -7.363) 11.439 9.930 ( -2.923 4.837 -3.842) 6.834 9.977 ( 0.327 -0.298 -2.257) 2.299 10.300 ( 0.208 1.949 -1.323) 2.365 10.363 ( 3.278 -3.946 -0.827) 5.196 10.389 ( 0.506 2.593 1.170) 2.890 10.500 ( 0.918 -7.355 -1.239) 7.515 12.127 ( 2.375 12.350 5.610) 13.771 12.407 ( 1.154 -16.084 3.911) 16.593 12.557 ( -8.599 4.572 5.499) 11.184 12.662 ( -4.419 -6.022 5.365) 9.197 13.815 ( 0.834 9.146 -3.970) 10.005 13.902 ( -1.342 10.157 0.176) 10.247 13.971 ( 1.058 -6.940 -5.698) 9.042 14.074 ( -1.503 -7.490 -1.411) 7.769 15.858 ( 1.877 3.423 1.552) 4.201 15.942 ( -0.116 1.257 2.916) 3.177 15.949 ( 1.441 -5.810 0.276) 5.992 16.020 ( -0.180 -6.372 2.157) 6.730 29.732 ( 1.449 6.070 0.557) 6.266 29.806 ( 0.767 -1.124 -0.067) 1.363 29.869 ( -1.719 1.943 1.244) 2.877 29.886 ( -0.822 0.519 0.972) 1.375 31.879 ( 0.713 4.385 -0.546) 4.476 31.921 ( -0.120 6.015 -0.846) 6.075 31.983 ( 0.698 -4.774 0.037) 4.824 32.060 ( -0.983 -6.719 -0.410) 6.803 83.227 ( 2.210 0.391 0.878) 2.410 83.232 ( 2.394 0.038 1.108) 2.638 83.429 ( -2.264 -0.945 2.236) 3.320 83.439 ( -2.264 -1.796 2.679) 3.941 ======================= Grid point 112 (48/144) ======================= q-point: ( 0.40 0.47 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 6.312 9.380 -3.484) 11.831 2.975 ( 1.058 7.125 -3.635) 8.069 3.006 ( 2.670 8.614 -0.897) 9.063 3.089 ( -5.618 4.872 -2.556) 7.863 3.177 ( 1.181 5.593 0.064) 5.717 3.241 ( -4.401 -3.824 -1.888) 6.129 3.321 ( 6.077 -11.120 2.894) 12.998 3.442 ( -6.245 -14.247 2.706) 15.789 5.793 ( 4.959 9.222 -2.006) 10.662 5.864 ( 2.484 3.536 -2.818) 5.159 5.900 ( -3.281 5.464 -2.058) 6.697 5.954 ( -3.913 1.574 -2.824) 5.075 7.504 ( 9.012 6.436 0.185) 11.076 7.629 ( 9.793 -6.089 -0.163) 11.532 7.706 ( -11.863 6.840 0.710) 13.712 7.841 ( -11.865 -6.522 0.133) 13.540 9.656 ( 9.949 9.781 -6.100) 15.227 9.801 ( 7.425 -3.949 -6.618) 10.702 9.830 ( -7.046 7.076 -5.478) 11.390 9.934 ( -5.104 -2.841 -5.154) 7.790 10.337 ( 3.150 3.627 0.716) 4.857 10.385 ( -1.360 4.014 1.195) 4.403 10.441 ( 4.339 -6.791 -0.369) 8.067 10.500 ( -1.446 -7.301 -0.769) 7.482 12.208 ( 6.459 10.821 5.787) 13.867 12.369 ( -9.967 8.064 5.699) 14.030 12.454 ( 3.700 -14.083 4.614) 15.274 12.553 ( -6.240 -10.537 5.113) 13.271 13.838 ( 1.517 9.508 -2.677) 9.994 13.870 ( -1.827 9.915 -1.119) 10.144 13.999 ( 1.866 -7.126 -4.352) 8.556 14.038 ( -2.150 -7.334 -2.743) 8.120 15.899 ( 2.178 2.699 1.969) 3.988 15.932 ( -1.119 2.010 2.527) 3.417 15.982 ( 1.800 -5.954 0.794) 6.271 16.009 ( -1.022 -6.064 1.563) 6.345 29.770 ( 2.405 5.322 0.631) 5.874 29.813 ( -1.336 3.500 0.227) 3.753 29.841 ( 0.160 -0.800 1.083) 1.356 29.864 ( -1.429 -0.501 0.806) 1.716 31.896 ( 0.997 5.082 -0.481) 5.202 31.913 ( -0.704 5.970 -0.520) 6.033 32.004 ( 1.481 -5.896 -0.352) 6.090 32.035 ( -1.585 -6.371 -0.447) 6.581 83.282 ( 3.142 1.329 0.788) 3.501 83.288 ( 3.017 0.990 0.878) 3.295 83.375 ( -2.895 -2.080 2.521) 4.366 83.383 ( -3.217 -2.589 2.695) 4.931 ======================= Grid point 150 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 0.000 21.505) 21.505 0.953 ( 0.000 0.000 19.870) 19.870 1.760 ( 0.000 0.000 32.512) 32.512 2.010 ( 0.000 0.000 9.999) 9.999 2.194 ( 0.000 0.000 5.946) 5.946 2.371 ( 0.000 0.000 -2.936) 2.936 2.890 ( 0.000 0.000 -2.491) 2.491 3.058 ( 0.000 0.000 -5.660) 5.660 3.790 ( 0.000 0.000 0.233) 0.233 4.077 ( 0.000 0.000 -1.448) 1.448 4.378 ( 0.000 0.000 17.608) 17.608 5.008 ( 0.000 0.000 7.081) 7.081 7.427 ( 0.000 0.000 11.757) 11.757 7.490 ( 0.000 0.000 2.281) 2.281 7.803 ( 0.000 0.000 -1.129) 1.129 8.154 ( 0.000 0.000 -4.001) 4.001 8.582 ( 0.000 0.000 1.075) 1.075 8.720 ( 0.000 0.000 -0.869) 0.869 8.770 ( 0.000 0.000 -1.143) 1.143 9.157 ( 0.000 0.000 -8.236) 8.236 10.225 ( 0.000 0.000 13.299) 13.299 10.763 ( 0.000 0.000 -10.034) 10.034 10.783 ( 0.000 0.000 -7.733) 7.733 12.142 ( 0.000 0.000 1.014) 1.014 12.159 ( 0.000 0.000 -9.539) 9.539 12.227 ( 0.000 0.000 0.894) 0.894 12.243 ( 0.000 0.000 -0.134) 0.134 12.368 ( 0.000 0.000 -0.707) 0.707 12.502 ( 0.000 0.000 1.454) 1.454 13.159 ( 0.000 0.000 -9.936) 9.936 13.221 ( 0.000 0.000 2.510) 2.510 14.396 ( 0.000 0.000 -9.623) 9.623 16.106 ( 0.000 0.000 30.398) 30.398 17.347 ( 0.000 0.000 -6.283) 6.283 17.710 ( 0.000 0.000 0.865) 0.865 17.881 ( 0.000 0.000 -1.509) 1.509 28.345 ( 0.000 0.000 5.021) 5.021 28.406 ( 0.000 0.000 3.635) 3.635 29.039 ( 0.000 0.000 -3.280) 3.280 29.093 ( 0.000 0.000 -3.959) 3.959 31.329 ( 0.000 0.000 4.983) 4.983 31.834 ( 0.000 0.000 -1.739) 1.739 32.720 ( 0.000 0.000 -0.139) 0.139 32.813 ( 0.000 0.000 -3.394) 3.394 83.314 ( 0.000 0.000 4.918) 4.918 83.573 ( 0.000 0.000 11.100) 11.100 84.786 ( 0.000 0.000 31.601) 31.601 87.993 ( 0.000 0.000 -11.686) 11.686 ======================= Grid point 151 (50/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 7.910 0.000 15.098) 17.045 1.072 ( 11.927 0.000 18.146) 21.714 1.772 ( -6.955 0.000 12.251) 14.088 1.993 ( -14.989 0.000 5.173) 15.857 2.032 ( 10.873 0.000 25.980) 28.164 2.520 ( 9.597 0.000 -1.413) 9.701 2.867 ( -2.416 0.000 -2.410) 3.413 3.050 ( -4.057 0.000 -2.206) 4.618 3.659 ( -6.488 0.000 4.444) 7.864 4.048 ( -5.604 0.000 1.743) 5.868 4.516 ( 11.922 0.000 9.965) 15.539 4.978 ( -3.056 0.000 6.611) 7.283 7.469 ( 4.332 0.000 11.230) 12.036 7.515 ( 2.590 0.000 2.057) 3.307 7.766 ( -3.683 0.000 -0.624) 3.736 8.003 ( -12.783 0.000 3.291) 13.200 8.607 ( 2.444 0.000 0.686) 2.539 8.743 ( 5.724 0.000 -2.422) 6.215 8.757 ( -1.390 0.000 -1.029) 1.730 9.237 ( 1.223 0.000 -6.418) 6.533 10.370 ( 10.885 0.000 -1.151) 10.945 10.714 ( -3.289 0.000 -10.219) 10.736 10.987 ( 20.508 0.000 -10.760) 23.160 12.147 ( 0.484 0.000 1.002) 1.113 12.170 ( -2.445 0.000 -18.312) 18.474 12.205 ( -1.410 0.000 0.750) 1.597 12.270 ( 1.805 0.000 -0.033) 1.805 12.360 ( -0.866 0.000 -0.652) 1.084 12.431 ( -3.525 0.000 10.005) 10.608 12.936 ( -12.440 0.000 -8.439) 15.032 13.509 ( 18.218 0.000 -1.870) 18.313 14.329 ( -6.907 0.000 -8.953) 11.308 16.203 ( 10.087 0.000 30.964) 32.566 17.299 ( -9.961 0.000 5.002) 11.146 17.589 ( -8.719 0.000 3.343) 9.338 17.784 ( -5.738 0.000 -4.165) 7.090 28.350 ( 0.568 0.000 4.898) 4.931 28.400 ( -0.640 0.000 3.779) 3.833 29.045 ( 0.567 0.000 -3.356) 3.404 29.089 ( -0.494 0.000 -3.904) 3.935 31.477 ( 12.542 0.000 -1.974) 12.697 31.830 ( -0.571 0.000 -2.634) 2.695 32.721 ( 0.287 0.000 -0.276) 0.398 32.803 ( -1.091 0.000 -3.172) 3.355 83.312 ( 0.134 0.000 5.890) 5.891 83.512 ( -5.413 0.000 10.010) 11.380 84.993 ( 20.636 0.000 32.241) 38.279 87.387 ( -53.788 0.000 12.588) 55.241 ======================= Grid point 152 (51/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 13.925 0.000 8.104) 16.112 1.355 ( 17.010 0.000 12.381) 21.039 1.527 ( -15.568 0.000 5.427) 16.487 1.685 ( -17.294 0.000 7.860) 18.997 2.387 ( 22.788 0.000 23.238) 32.547 2.682 ( 7.397 0.000 -1.763) 7.604 2.798 ( -4.882 0.000 -2.164) 5.341 2.810 ( -19.990 0.000 10.849) 22.745 3.689 ( 8.240 0.000 3.403) 8.915 3.883 ( -10.706 0.000 2.956) 11.107 4.736 ( 10.274 0.000 5.624) 11.712 4.892 ( -6.273 0.000 5.535) 8.366 7.584 ( 4.549 0.000 1.407) 4.762 7.586 ( 7.962 0.000 9.884) 12.692 7.679 ( -5.174 0.000 0.424) 5.191 7.768 ( -11.222 0.000 7.991) 13.777 8.663 ( 3.188 0.000 -0.058) 3.189 8.719 ( -2.589 0.000 -0.672) 2.675 8.924 ( 11.988 0.000 -2.742) 12.297 9.143 ( -9.791 0.000 -2.536) 10.114 10.530 ( 6.451 0.000 -9.602) 11.568 10.636 ( -4.889 0.000 -10.805) 11.860 11.478 ( 27.498 0.000 -16.824) 32.236 11.939 ( -20.074 0.000 -17.714) 26.772 12.160 ( 0.894 0.000 0.960) 1.311 12.180 ( -1.200 0.000 0.872) 1.484 12.305 ( 1.833 0.000 -0.269) 1.852 12.337 ( -1.518 0.000 -0.496) 1.597 12.503 ( 8.975 0.000 2.891) 9.429 12.705 ( -11.813 0.000 -6.112) 13.300 13.853 ( 17.354 0.000 -4.636) 17.963 14.141 ( -12.811 0.000 -7.244) 14.717 16.481 ( 19.137 0.000 31.686) 37.017 16.908 ( -25.009 0.000 27.925) 37.487 17.579 ( 4.422 0.000 -5.861) 7.342 17.681 ( -5.625 0.000 -5.843) 8.110 28.365 ( 0.950 0.000 4.568) 4.666 28.384 ( -0.994 0.000 4.142) 4.259 29.059 ( 0.876 0.000 -3.543) 3.649 29.076 ( -0.831 0.000 -3.751) 3.842 31.692 ( 8.778 0.000 -6.735) 11.064 31.800 ( -3.088 0.000 -5.023) 5.896 32.738 ( 1.507 0.000 -1.129) 1.883 32.773 ( -1.948 0.000 -2.381) 3.076 83.334 ( 2.472 0.000 7.120) 7.537 83.407 ( -5.044 0.000 8.149) 9.584 85.527 ( 35.628 0.000 34.494) 49.591 86.345 ( -51.022 0.000 33.063) 60.798 ======================= Grid point 155 (52/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 11.855 16.573) 20.377 1.219 ( 0.000 19.102 19.708) 27.446 1.914 ( 0.000 16.094 18.930) 24.847 2.057 ( 0.000 7.217 14.739) 16.411 2.353 ( 0.000 14.295 7.894) 16.330 2.513 ( 0.000 12.294 -2.786) 12.606 3.020 ( 0.000 10.692 -3.409) 11.223 3.158 ( 0.000 12.946 -4.846) 13.823 3.838 ( 0.000 5.301 -0.607) 5.335 4.064 ( 0.000 -1.259 -1.073) 1.655 4.381 ( 0.000 0.543 16.705) 16.714 4.989 ( 0.000 -1.817 7.125) 7.353 7.412 ( 0.000 0.156 9.447) 9.449 7.684 ( 0.000 10.917 2.600) 11.223 7.775 ( 0.000 -2.590 -0.774) 2.703 8.180 ( 0.000 2.033 -2.213) 3.005 8.578 ( 0.000 4.669 -0.269) 4.677 8.769 ( 0.000 5.000 -1.371) 5.185 8.861 ( 0.000 8.682 -1.345) 8.785 9.327 ( 0.000 13.434 -12.584) 18.408 10.203 ( 0.000 -1.990 12.327) 12.487 10.667 ( 0.000 -9.690 -6.752) 11.810 10.751 ( 0.000 -1.050 -9.808) 9.864 11.751 ( 0.000 -25.316 -8.252) 26.627 12.122 ( 0.000 -9.350 13.511) 16.430 12.199 ( 0.000 5.708 0.133) 5.709 12.287 ( 0.000 6.041 0.327) 6.050 12.580 ( 0.000 2.233 0.061) 2.234 12.700 ( 0.000 25.003 -14.304) 28.806 13.218 ( 0.000 -0.306 3.237) 3.251 13.433 ( 0.000 20.436 -16.778) 26.441 14.327 ( 0.000 -6.930 -9.098) 11.437 16.097 ( 0.000 -0.983 28.990) 29.007 17.283 ( 0.000 -6.449 -5.997) 8.806 17.636 ( 0.000 -7.470 0.942) 7.530 17.652 ( 0.000 -20.615 6.503) 21.616 28.409 ( 0.000 6.465 4.739) 8.016 28.580 ( 0.000 15.070 -2.133) 15.220 29.084 ( 0.000 4.537 -3.009) 5.444 29.143 ( 0.000 5.047 -3.760) 6.293 31.342 ( 0.000 1.271 4.703) 4.872 31.818 ( 0.000 -1.480 -1.573) 2.160 32.699 ( 0.000 -2.107 -0.185) 2.115 32.777 ( 0.000 -3.547 -3.089) 4.704 83.308 ( 0.000 -0.653 4.707) 4.752 83.519 ( 0.000 -5.174 10.951) 12.112 84.713 ( 0.000 -7.221 30.305) 31.154 87.171 ( 0.000 -68.997 20.178) 71.887 ======================= Grid point 156 (53/144) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.838 9.915 13.563) 17.484 1.314 ( 9.394 17.135 17.578) 26.284 1.837 ( -11.035 7.021 5.475) 14.179 2.138 ( 1.719 12.896 14.336) 19.359 2.185 ( -1.459 17.183 18.165) 25.047 2.664 ( 9.695 12.699 -1.390) 16.037 3.011 ( -1.608 12.415 -2.984) 12.869 3.139 ( -4.200 11.431 -2.791) 12.494 3.702 ( -6.861 4.663 3.939) 9.183 4.051 ( -4.852 0.611 2.068) 5.310 4.506 ( 11.228 -0.730 9.599) 14.790 4.961 ( -3.002 -1.739 6.563) 7.424 7.444 ( 3.427 -0.531 9.165) 9.799 7.681 ( -0.114 9.202 2.985) 9.675 7.762 ( -1.300 -0.589 0.017) 1.428 7.995 ( -14.722 1.343 4.263) 15.386 8.604 ( 3.912 2.106 -1.139) 4.586 8.829 ( -1.518 8.416 -0.433) 8.563 8.868 ( 6.698 9.467 -2.850) 11.942 9.353 ( -1.191 10.493 -8.046) 13.277 10.363 ( 12.261 -0.795 -2.074) 12.460 10.686 ( -1.192 -3.982 -9.210) 10.104 10.832 ( 13.552 -11.524 -8.185) 19.582 11.725 ( -3.502 -26.782 -9.744) 28.714 12.114 ( -0.383 -8.753 11.588) 14.527 12.212 ( 0.998 5.844 1.200) 6.049 12.268 ( -1.859 4.177 0.481) 4.597 12.476 ( -9.085 4.066 3.188) 10.451 12.752 ( 5.499 24.443 -13.603) 28.509 13.182 ( -4.811 14.170 -10.940) 18.537 13.559 ( 12.465 6.469 -6.339) 15.408 14.265 ( -6.409 -6.453 -8.451) 12.415 16.189 ( 9.594 -1.440 29.453) 31.009 17.226 ( -11.395 -7.542 7.631) 15.651 17.470 ( -6.223 -11.970 3.065) 13.835 17.664 ( -2.258 -10.501 -2.468) 11.021 28.419 ( 0.984 6.817 4.551) 8.255 28.547 ( -2.873 13.264 -0.004) 13.572 29.091 ( 0.649 4.640 -3.127) 5.633 29.138 ( -0.568 4.946 -3.666) 6.183 31.469 ( 11.121 -0.503 -0.733) 11.157 31.813 ( -0.762 -1.648 -2.337) 2.959 32.700 ( 0.200 -2.167 -0.318) 2.199 32.768 ( -0.975 -3.441 -2.849) 4.573 83.305 ( 0.038 -0.738 5.669) 5.717 83.471 ( -4.263 -3.855 9.606) 11.194 84.891 ( 17.816 -9.915 31.171) 37.247 86.771 ( -36.862 -53.546 29.099) 71.223 ======================= Grid point 157 (54/144) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 11.289 5.634 7.723) 14.793 1.476 ( -2.446 5.606 8.106) 10.155 1.646 ( 2.067 15.200 10.082) 18.356 1.884 ( -15.313 15.814 10.074) 24.208 2.513 ( 21.225 13.999 19.103) 31.803 2.821 ( 4.576 11.866 -0.112) 12.719 2.914 ( -13.660 12.128 5.174) 18.986 2.959 ( -6.464 15.443 -1.829) 16.841 3.718 ( 7.411 3.452 3.934) 9.073 3.898 ( -10.099 1.950 3.604) 10.899 4.718 ( 10.136 -1.589 5.380) 11.585 4.874 ( -6.312 -1.734 5.406) 8.490 7.544 ( 7.124 -1.937 8.575) 11.315 7.676 ( -2.327 1.285 5.200) 5.839 7.729 ( -2.136 5.009 1.311) 5.601 7.755 ( -7.706 2.943 5.626) 9.985 8.697 ( 4.982 3.215 -0.295) 5.937 8.777 ( -3.499 5.741 -0.071) 6.724 9.038 ( 10.709 10.939 -3.281) 15.655 9.241 ( -9.611 9.724 -3.431) 14.096 10.532 ( 6.197 0.246 -10.397) 12.106 10.628 ( -4.205 -0.821 -10.916) 11.727 11.221 ( 22.854 -21.667 -12.184) 33.767 11.576 ( -13.333 -26.854 -12.493) 32.481 12.126 ( 2.076 -7.073 8.384) 11.164 12.191 ( -3.960 -1.576 3.207) 5.334 12.257 ( 1.828 6.545 2.773) 7.340 12.323 ( -5.689 7.451 4.830) 10.545 12.889 ( 8.388 24.249 -14.616) 29.529 13.051 ( -8.346 22.238 -15.720) 28.483 13.834 ( 15.071 -1.815 -4.884) 15.946 14.092 ( -11.712 -4.974 -6.845) 14.449 16.452 ( 17.979 -2.935 29.951) 35.056 16.849 ( -23.042 -5.918 26.778) 35.819 17.491 ( 4.771 -8.702 -5.480) 11.336 17.590 ( -5.063 -8.868 -4.828) 11.295 28.446 ( 1.926 7.971 3.929) 9.093 28.491 ( -2.786 10.169 2.595) 10.858 29.106 ( 0.918 4.754 -3.318) 5.870 29.124 ( -0.872 4.826 -3.505) 6.028 31.668 ( 8.527 -2.113 -5.174) 10.195 31.778 ( -3.357 -2.060 -4.247) 5.792 32.713 ( 1.225 -2.514 -1.017) 2.976 32.742 ( -1.674 -3.064 -2.094) 4.071 83.323 ( 2.146 -1.080 6.785) 7.198 83.386 ( -4.264 -2.047 7.683) 9.022 85.348 ( 29.981 -17.085 33.999) 48.443 86.010 ( -39.535 -30.751 35.872) 61.607 ======================= Grid point 160 (55/144) ======================= q-point: ( 0.00 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 18.093 10.902) 21.123 1.515 ( 0.000 12.433 19.196) 22.870 2.102 ( 0.000 6.517 3.850) 7.569 2.537 ( 0.000 29.802 10.888) 31.729 2.685 ( 0.000 22.750 14.286) 26.864 2.718 ( 0.000 6.747 -3.923) 7.804 3.288 ( 0.000 17.080 -1.089) 17.115 3.568 ( 0.000 26.415 -5.470) 26.976 4.019 ( 0.000 13.767 -2.586) 14.008 4.029 ( 0.000 -2.295 0.781) 2.424 4.427 ( 0.000 5.353 12.582) 13.674 4.941 ( 0.000 -2.924 7.101) 7.680 7.423 ( 0.000 0.628 6.454) 6.485 7.717 ( 0.000 -3.089 -0.150) 3.093 7.741 ( 0.000 -3.045 10.418) 10.854 8.206 ( 0.000 0.151 1.154) 1.163 8.830 ( 0.000 17.481 -8.036) 19.240 8.907 ( 0.000 8.781 -2.198) 9.052 9.070 ( 0.000 11.700 -0.953) 11.738 9.555 ( 0.000 8.336 -10.714) 13.575 10.167 ( 0.000 -0.984 8.814) 8.868 10.508 ( 0.000 -4.836 -9.524) 10.682 10.732 ( 0.000 -0.794 -8.755) 8.791 11.258 ( 0.000 -23.976 -3.856) 24.284 12.024 ( 0.000 -2.009 15.424) 15.554 12.356 ( 0.000 10.252 -2.055) 10.456 12.458 ( 0.000 11.304 -0.427) 11.312 12.598 ( 0.000 0.380 1.141) 1.202 13.177 ( 0.000 22.874 -22.186) 31.866 13.207 ( 0.000 -0.917 4.859) 4.945 13.770 ( 0.000 12.713 -20.934) 24.491 14.136 ( 0.000 -12.383 -7.719) 14.592 16.068 ( 0.000 -2.012 25.113) 25.194 17.104 ( 0.000 -11.697 -5.207) 12.803 17.203 ( 0.000 -23.348 14.123) 27.287 17.430 ( 0.000 -13.258 1.067) 13.301 28.585 ( 0.000 11.196 4.044) 11.904 28.891 ( 0.000 15.524 -6.068) 16.668 29.209 ( 0.000 8.036 -2.246) 8.344 29.282 ( 0.000 8.852 -3.131) 9.389 31.379 ( 0.000 2.604 3.915) 4.702 31.782 ( 0.000 -2.048 -1.222) 2.384 32.640 ( 0.000 -3.906 -0.331) 3.920 32.680 ( 0.000 -6.263 -2.340) 6.686 83.290 ( 0.000 -1.147 4.116) 4.273 83.397 ( 0.000 -6.564 9.790) 11.787 84.522 ( 0.000 -11.864 26.722) 29.238 85.855 ( 0.000 -59.469 40.223) 71.794 ======================= Grid point 161 (56/144) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.364 16.128 9.495) 18.765 1.595 ( 6.801 12.465 16.285) 21.606 1.991 ( -9.417 8.218 5.065) 13.486 2.429 ( -11.721 12.877 8.181) 19.239 2.705 ( 9.599 35.221 15.521) 39.668 2.894 ( 10.339 8.968 -1.982) 13.830 3.295 ( -0.349 16.714 -2.393) 16.888 3.532 ( -5.109 26.413 -4.265) 27.239 3.849 ( -6.126 9.509 2.909) 11.679 4.098 ( -2.082 5.720 3.016) 6.794 4.513 ( 8.494 2.593 7.136) 11.392 4.915 ( -2.860 -2.765 6.309) 7.458 7.440 ( 1.915 -0.154 6.686) 6.956 7.690 ( -2.808 -4.939 6.893) 8.933 7.760 ( 1.789 -0.335 3.677) 4.103 8.093 ( -10.566 5.280 2.345) 12.042 8.717 ( -0.756 8.622 -2.548) 9.022 9.018 ( -4.456 10.079 -0.048) 11.020 9.114 ( 11.023 15.027 -4.763) 19.235 9.576 ( -0.745 10.821 -8.079) 13.525 10.315 ( 14.224 -5.386 0.342) 15.213 10.530 ( 2.317 -6.120 -9.052) 11.170 10.728 ( 0.260 -1.358 -9.382) 9.484 11.218 ( -4.498 -24.019 -4.511) 24.849 12.020 ( 0.070 -1.885 13.705) 13.835 12.344 ( -5.659 6.035 -0.162) 8.275 12.401 ( -0.650 9.831 0.691) 9.877 12.567 ( -2.895 6.785 3.262) 8.065 13.193 ( 4.026 17.199 -17.735) 25.031 13.326 ( 7.791 5.068 -6.190) 11.167 13.752 ( -0.943 10.128 -17.879) 20.570 14.088 ( -4.939 -11.352 -7.319) 14.381 16.147 ( 8.290 -2.766 25.314) 26.780 17.005 ( -13.131 -14.863 14.867) 24.787 17.184 ( 2.292 -15.560 -1.943) 15.847 17.420 ( -1.746 -14.309 -0.671) 14.431 28.602 ( 1.799 11.569 3.747) 12.293 28.838 ( -4.884 15.281 -3.456) 16.411 29.218 ( 0.823 8.145 -2.447) 8.544 29.273 ( -0.801 8.674 -2.948) 9.196 31.469 ( 8.117 0.653 0.913) 8.194 31.773 ( -1.100 -2.193 -1.698) 2.983 32.638 ( -0.050 -4.049 -0.443) 4.074 32.674 ( -0.614 -6.027 -2.096) 6.411 83.285 ( -0.178 -1.294 5.125) 5.289 83.379 ( -1.821 -5.052 8.088) 9.709 84.638 ( 11.685 -15.180 27.846) 33.799 85.692 ( -15.965 -51.436 39.190) 66.606 ======================= Grid point 162 (57/144) ======================= q-point: ( 0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 7.135 12.785 5.719) 15.718 1.621 ( -7.556 9.822 4.327) 13.126 1.940 ( 8.305 12.977 15.286) 21.703 2.176 ( -14.131 12.708 13.175) 23.125 2.947 ( 13.747 28.445 9.646) 33.033 3.064 ( 5.496 11.823 -0.972) 13.075 3.250 ( -2.958 18.302 -2.957) 18.774 3.352 ( -11.632 24.707 0.121) 27.308 3.857 ( 5.543 11.552 4.924) 13.727 3.992 ( -7.563 9.036 5.339) 12.937 4.689 ( 8.977 -0.714 3.863) 9.799 4.832 ( -5.990 -2.211 4.633) 7.889 7.503 ( 4.791 -2.190 7.591) 9.240 7.608 ( -5.637 -4.907 8.532) 11.342 7.808 ( 3.408 3.481 2.490) 5.471 7.906 ( -7.590 7.363 2.867) 10.957 8.787 ( 6.366 5.895 0.277) 8.681 8.913 ( -6.404 7.587 0.938) 9.973 9.311 ( 10.048 15.845 -4.490) 19.292 9.487 ( -7.933 14.242 -4.691) 16.964 10.533 ( 5.465 -1.215 -11.172) 12.496 10.577 ( 0.676 -6.267 -9.313) 11.245 10.829 ( 12.527 -13.932 -7.154) 20.055 11.075 ( -10.876 -22.576 -5.964) 25.759 12.053 ( 4.071 -1.187 10.335) 11.171 12.180 ( -8.890 0.650 5.841) 10.657 12.441 ( 3.060 11.393 1.580) 11.902 12.504 ( -3.535 10.922 2.945) 11.852 13.302 ( 6.476 16.459 -19.593) 26.396 13.395 ( -1.760 12.237 -16.951) 20.980 13.799 ( 6.808 -0.956 -8.647) 11.047 13.958 ( -8.449 -8.247 -6.590) 13.521 16.371 ( 14.988 -5.207 25.300) 29.864 16.691 ( -18.050 -9.781 23.163) 30.951 17.263 ( 5.165 -14.127 -4.400) 15.672 17.358 ( -4.539 -14.352 -3.007) 15.350 28.653 ( 3.616 12.644 2.704) 13.426 28.737 ( -5.195 14.146 0.413) 15.076 29.236 ( 1.026 8.284 -2.640) 8.755 29.256 ( -1.015 8.427 -2.768) 8.928 31.627 ( 7.454 -1.786 -2.453) 8.048 31.731 ( -3.636 -2.404 -2.673) 5.114 32.643 ( 0.560 -4.570 -0.841) 4.681 32.658 ( -0.971 -5.375 -1.502) 5.664 83.295 ( 1.441 -1.674 5.880) 6.281 83.335 ( -2.531 -2.863 6.332) 7.396 84.934 ( 18.908 -23.563 31.084) 43.347 85.323 ( -21.334 -36.196 35.635) 55.092 ======================= Grid point 165 (58/144) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 20.149 6.595) 21.201 1.753 ( 0.000 12.440 12.702) 17.779 2.248 ( 0.000 8.503 2.946) 8.999 2.794 ( 0.000 2.083 -5.308) 5.702 2.826 ( 0.000 7.457 7.892) 10.858 3.375 ( 0.000 38.033 9.769) 39.267 3.571 ( 0.000 9.217 2.237) 9.484 3.925 ( 0.000 -2.358 3.239) 4.006 4.170 ( 0.000 28.314 -5.257) 28.798 4.356 ( 0.000 18.865 -2.889) 19.085 4.641 ( 0.000 17.193 4.674) 17.817 4.897 ( 0.000 -0.160 6.043) 6.045 7.407 ( 0.000 -3.133 5.389) 6.234 7.661 ( 0.000 -2.577 0.264) 2.591 7.696 ( 0.000 0.801 9.415) 9.449 8.179 ( 0.000 -2.843 3.722) 4.684 9.090 ( 0.000 9.507 -3.204) 10.032 9.108 ( 0.000 8.550 -9.731) 12.953 9.280 ( 0.000 9.444 0.341) 9.450 9.673 ( 0.000 6.218 -3.137) 6.964 10.185 ( 0.000 2.775 3.335) 4.339 10.473 ( 0.000 -1.098 -12.713) 12.760 10.713 ( 0.000 -1.376 -6.643) 6.784 10.853 ( 0.000 -16.408 -0.172) 16.409 12.009 ( 0.000 0.025 15.771) 15.771 12.592 ( 0.000 13.757 -4.286) 14.409 12.609 ( 0.000 0.912 1.750) 1.974 12.712 ( 0.000 14.166 -0.134) 14.166 13.185 ( 0.000 -1.063 6.216) 6.306 13.569 ( 0.000 17.092 -22.742) 28.449 13.859 ( 0.000 -15.674 -5.863) 16.734 13.930 ( 0.000 4.418 -20.209) 20.686 16.020 ( 0.000 -2.848 19.683) 19.888 16.784 ( 0.000 -19.287 14.179) 23.938 16.843 ( 0.000 -14.675 -4.107) 15.239 17.136 ( 0.000 -16.496 1.127) 16.534 28.830 ( 0.000 13.577 3.227) 13.956 29.169 ( 0.000 13.126 -5.153) 14.101 29.386 ( 0.000 9.748 -1.165) 9.817 29.471 ( 0.000 10.097 -1.973) 10.288 31.444 ( 0.000 3.989 2.768) 4.855 31.746 ( 0.000 -1.465 -0.939) 1.740 32.541 ( 0.000 -7.776 -1.487) 7.917 32.550 ( 0.000 -5.244 -0.541) 5.272 83.265 ( 0.000 -1.362 3.261) 3.534 83.285 ( 0.000 -4.652 7.227) 8.595 84.273 ( 0.000 -13.211 21.670) 25.380 84.908 ( 0.000 -38.915 33.628) 51.432 ======================= Grid point 166 (59/144) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.567 17.015 6.534) 18.235 1.848 ( 5.289 14.243 9.575) 17.959 2.166 ( -6.330 9.930 4.813) 12.722 2.609 ( -11.531 6.235 7.141) 14.928 3.006 ( 10.714 3.478 -1.977) 11.436 3.417 ( 2.974 31.522 6.638) 32.350 3.567 ( 0.277 12.370 0.641) 12.390 3.963 ( 3.115 0.907 6.919) 7.642 4.103 ( -5.528 31.091 -5.234) 32.010 4.340 ( -2.401 16.906 1.740) 17.164 4.673 ( 3.258 14.974 1.627) 15.410 4.880 ( -1.794 0.979 4.507) 4.948 7.417 ( 1.174 -2.900 5.491) 6.320 7.606 ( -3.943 -2.158 6.109) 7.584 7.752 ( 4.256 -0.146 3.608) 5.581 8.139 ( -4.958 -0.159 3.444) 6.039 8.889 ( -5.072 7.999 -2.645) 9.833 9.203 ( -6.084 8.749 1.018) 10.705 9.389 ( 13.156 11.202 -7.550) 18.856 9.746 ( 4.780 7.133 -5.041) 9.957 10.214 ( 3.995 -2.155 2.961) 5.419 10.484 ( 0.819 -2.413 -11.898) 12.168 10.708 ( -0.268 -1.178 -7.740) 7.833 10.830 ( -2.460 -14.395 -1.257) 14.657 12.010 ( 0.565 0.426 14.350) 14.368 12.430 ( -11.917 3.223 3.050) 12.717 12.636 ( 2.453 13.825 -1.796) 14.155 12.763 ( 1.251 12.762 0.351) 12.828 13.257 ( 7.033 -2.433 2.422) 7.826 13.592 ( 1.648 13.980 -21.151) 25.407 13.812 ( -3.654 -10.876 -8.014) 13.996 13.918 ( -1.712 1.928 -18.162) 18.344 16.084 ( 6.602 -3.662 19.614) 21.017 16.692 ( -8.613 -15.952 15.251) 23.691 16.882 ( 3.452 -15.629 -3.600) 16.406 17.115 ( -2.289 -16.739 0.243) 16.896 28.852 ( 2.358 13.749 2.895) 14.247 29.121 ( -4.640 13.662 -3.446) 14.834 29.396 ( 0.913 9.736 -1.410) 9.880 29.460 ( -1.055 10.006 -1.784) 10.219 31.499 ( 5.253 2.530 1.315) 5.977 31.736 ( -1.198 -1.442 -1.154) 2.201 32.539 ( -0.212 -7.151 -1.269) 7.265 32.548 ( -0.269 -5.762 -0.648) 5.804 83.255 ( -0.280 -1.706 4.726) 5.032 83.293 ( 0.171 -3.460 5.149) 6.206 84.331 ( 5.970 -15.679 22.658) 28.194 84.842 ( -6.599 -36.025 32.198) 48.765 ======================= Grid point 167 (60/144) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.128 15.894 3.384) 16.767 1.851 ( -5.741 13.573 1.902) 14.859 2.165 ( 8.044 10.880 13.478) 19.098 2.376 ( -12.620 8.498 12.104) 19.442 3.207 ( 10.209 3.644 -3.204) 11.303 3.376 ( -6.986 8.143 -2.135) 10.940 3.671 ( 10.203 29.135 3.710) 31.092 3.882 ( -10.616 25.118 2.107) 27.351 4.128 ( 6.857 15.424 5.142) 17.645 4.257 ( -6.058 15.523 5.796) 17.643 4.751 ( 4.527 9.411 -0.370) 10.450 4.829 ( -3.533 4.271 1.416) 5.720 7.456 ( 3.009 -2.814 6.127) 7.383 7.527 ( -4.250 -2.869 6.902) 8.598 7.854 ( 6.635 1.205 2.630) 7.238 8.000 ( -8.487 2.476 2.843) 9.287 8.913 ( 6.143 6.746 0.544) 9.140 9.061 ( -8.346 7.503 1.402) 11.310 9.606 ( 9.849 13.101 -6.212) 17.528 9.751 ( -4.640 11.908 -5.649) 13.973 10.348 ( 8.677 -11.052 -1.173) 14.100 10.471 ( -3.326 -8.216 -7.542) 11.638 10.718 ( 1.653 -1.479 -8.782) 9.058 10.770 ( -3.427 -7.391 -5.224) 9.678 12.057 ( 5.063 1.218 11.240) 12.388 12.209 ( -10.606 2.102 7.338) 13.068 12.692 ( 3.217 14.268 -0.121) 14.627 12.747 ( -2.344 13.931 0.847) 14.153 13.416 ( 8.964 -3.250 -4.059) 10.363 13.565 ( -5.642 1.192 -11.825) 13.157 13.791 ( 2.437 0.056 -14.402) 14.607 13.862 ( -3.921 2.063 -17.057) 17.623 16.257 ( 11.279 -6.254 19.159) 23.095 16.487 ( -12.325 -10.711 17.768) 24.132 16.963 ( 4.814 -16.229 -2.980) 17.188 17.051 ( -4.269 -16.723 -1.480) 17.323 28.918 ( 4.497 14.117 1.769) 14.921 29.017 ( -5.776 14.233 -0.431) 15.366 29.415 ( 1.125 9.749 -1.595) 9.942 29.438 ( -1.205 9.838 -1.645) 10.047 31.609 ( 5.635 0.150 -0.784) 5.691 31.695 ( -3.289 -1.123 -1.436) 3.760 32.537 ( 0.058 -6.515 -0.957) 6.585 32.541 ( -0.361 -6.221 -0.768) 6.279 83.262 ( 0.946 -1.609 4.633) 4.995 83.284 ( -1.040 -2.264 4.377) 5.036 84.485 ( 9.769 -21.760 25.239) 34.727 84.679 ( -10.115 -29.263 28.811) 42.293 ======================= Grid point 170 (61/144) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 12.645 5.115) 13.640 2.147 ( 0.000 20.058 3.947) 20.442 2.431 ( 0.000 10.135 2.046) 10.339 2.822 ( 0.000 1.021 -6.279) 6.361 2.917 ( 0.000 2.733 5.966) 6.563 3.637 ( 0.000 -1.305 -0.172) 1.316 3.818 ( 0.000 -7.178 8.243) 10.930 3.997 ( 0.000 21.520 4.429) 21.971 4.641 ( 0.000 11.733 3.609) 12.276 4.750 ( 0.000 28.847 -6.003) 29.465 5.048 ( 0.000 22.587 -0.992) 22.609 5.055 ( 0.000 17.404 -1.021) 17.434 7.319 ( 0.000 -4.675 6.307) 7.851 7.618 ( 0.000 -1.892 0.410) 1.936 7.786 ( 0.000 7.501 1.948) 7.750 8.107 ( 0.000 -4.182 5.155) 6.638 9.152 ( 0.000 -2.138 -6.411) 6.758 9.259 ( 0.000 7.471 -5.547) 9.305 9.446 ( 0.000 8.126 0.456) 8.139 9.845 ( 0.000 10.523 -1.577) 10.641 10.253 ( 0.000 3.478 -0.793) 3.567 10.355 ( 0.000 -10.637 -4.950) 11.732 10.670 ( 0.000 -3.185 -3.922) 5.052 10.677 ( 0.000 -2.885 -4.793) 5.595 12.015 ( 0.000 0.488 15.120) 15.128 12.637 ( 0.000 2.003 3.180) 3.758 12.862 ( 0.000 11.362 -3.924) 12.021 12.973 ( 0.000 12.287 1.880) 12.430 13.200 ( 0.000 4.141 4.697) 6.262 13.543 ( 0.000 -15.876 -3.882) 16.344 13.831 ( 0.000 9.299 -18.478) 20.686 13.977 ( 0.000 1.678 -17.581) 17.661 15.960 ( 0.000 -3.169 13.897) 14.254 16.457 ( 0.000 -14.226 11.300) 18.168 16.551 ( 0.000 -14.820 -2.922) 15.105 16.805 ( 0.000 -17.033 1.207) 17.076 29.100 ( 0.000 13.872 2.503) 14.097 29.407 ( 0.000 11.277 -3.403) 11.779 29.576 ( 0.000 9.454 -0.044) 9.454 29.658 ( 0.000 8.768 -0.538) 8.785 31.534 ( 0.000 5.290 1.491) 5.496 31.730 ( 0.000 -0.101 -0.835) 0.841 32.384 ( 0.000 -8.167 -0.793) 8.205 32.439 ( 0.000 -6.085 -0.757) 6.132 83.221 ( 0.000 -1.895 4.380) 4.772 83.239 ( 0.000 -1.220 2.317) 2.619 84.023 ( 0.000 -12.145 16.159) 20.214 84.290 ( 0.000 -25.569 22.514) 34.068 ======================= Grid point 171 (62/144) ======================= q-point: ( 0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 1.241 13.919 3.316) 14.362 2.167 ( 1.583 18.126 4.065) 18.643 2.375 ( -4.242 11.345 3.151) 12.515 2.700 ( -8.685 3.664 3.715) 10.132 3.043 ( 9.154 0.693 -1.974) 9.390 3.574 ( -6.353 -1.411 -2.331) 6.912 3.891 ( 7.157 -5.219 9.832) 13.233 4.047 ( 4.331 16.926 4.264) 17.984 4.612 ( -2.792 13.583 4.642) 14.624 4.703 ( -4.510 29.546 -5.572) 30.403 5.043 ( 0.385 20.025 0.316) 20.032 5.075 ( 0.900 19.751 -3.811) 20.135 7.339 ( 2.088 -4.080 6.040) 7.582 7.606 ( -3.043 1.044 1.421) 3.517 7.764 ( 0.877 1.403 2.474) 2.976 8.114 ( -1.352 -1.675 3.397) 4.021 9.008 ( -4.346 4.195 -3.249) 6.859 9.367 ( -6.631 8.410 0.131) 10.710 9.503 ( 14.536 1.551 -7.826) 16.582 9.909 ( 5.022 9.861 -2.169) 11.277 10.214 ( -2.938 -1.304 -1.011) 3.370 10.363 ( -0.191 -6.456 -2.451) 6.908 10.672 ( 0.495 -2.929 -5.263) 6.044 10.690 ( 1.112 -2.161 -5.570) 6.077 12.025 ( 1.432 1.011 14.150) 14.258 12.487 ( -12.080 2.848 5.178) 13.448 12.922 ( 3.707 14.144 -4.176) 15.206 13.014 ( 2.879 10.918 1.104) 11.345 13.215 ( 2.108 0.382 4.599) 5.073 13.503 ( -3.975 -14.851 -3.249) 15.714 13.847 ( 1.542 8.024 -18.411) 20.143 13.962 ( -1.458 2.030 -17.656) 17.832 16.009 ( 5.021 -3.838 13.708) 15.095 16.411 ( -4.726 -12.694 11.600) 17.833 16.579 ( 2.790 -15.156 -2.561) 15.622 16.783 ( -2.263 -16.886 0.769) 17.054 29.124 ( 2.472 13.846 2.222) 14.239 29.370 ( -3.613 11.922 -2.365) 12.680 29.584 ( 0.771 9.273 -0.278) 9.310 29.646 ( -1.099 8.816 -0.448) 8.895 31.566 ( 3.078 4.286 0.823) 5.341 31.722 ( -0.930 0.091 -0.901) 1.298 32.388 ( 0.379 -7.927 -0.763) 7.973 32.432 ( -0.686 -6.245 -0.724) 6.324 83.224 ( 0.443 -1.198 3.813) 4.021 83.248 ( 0.575 -1.450 2.488) 2.936 84.043 ( 2.142 -13.634 16.788) 21.733 84.261 ( -2.969 -24.446 21.834) 32.911 ======================= Grid point 172 (63/144) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.563 15.690 1.042) 16.123 2.141 ( -4.732 15.999 0.348) 16.687 2.378 ( 5.553 11.053 8.666) 15.103 2.528 ( -9.171 7.350 8.068) 14.256 3.230 ( 10.269 -0.675 -3.619) 10.909 3.419 ( -9.477 -1.249 -3.483) 10.174 4.040 ( 7.161 -2.545 8.962) 11.751 4.109 ( 0.626 5.934 5.863) 8.366 4.565 ( -0.927 21.927 3.229) 22.183 4.606 ( -4.747 29.236 -2.173) 29.699 5.061 ( 1.245 19.711 -1.995) 19.851 5.079 ( -0.502 19.757 -4.128) 20.190 7.400 ( 4.454 -2.352 5.297) 7.309 7.504 ( -6.217 0.290 3.951) 7.372 7.857 ( 7.752 -0.878 1.706) 7.986 8.017 ( -8.096 -0.357 1.784) 8.298 9.042 ( 6.849 6.474 -0.940) 9.471 9.208 ( -9.446 7.703 -0.217) 12.190 9.759 ( 11.878 1.858 -8.175) 14.539 9.929 ( -4.948 5.720 -6.469) 9.952 10.217 ( 4.395 -2.936 1.687) 5.549 10.318 ( -4.624 -3.533 0.819) 5.876 10.693 ( 1.398 -1.966 -7.184) 7.579 10.706 ( 0.228 -1.586 -6.922) 7.105 12.090 ( 5.958 2.001 11.693) 13.275 12.256 ( -11.275 2.714 8.460) 14.354 12.986 ( 3.080 15.350 -2.066) 15.791 13.030 ( -1.197 14.083 -0.450) 14.141 13.292 ( 5.649 -7.594 2.062) 9.687 13.406 ( -5.981 -12.278 -1.206) 13.710 13.884 ( 2.218 5.522 -18.206) 19.154 13.927 ( -2.202 3.295 -17.891) 18.325 16.136 ( 7.939 -5.943 13.171) 16.487 16.289 ( -7.727 -9.296 12.389) 17.309 16.647 ( 4.117 -15.803 -1.643) 16.412 16.724 ( -3.825 -16.454 -0.351) 16.897 29.191 ( 4.440 13.648 1.299) 14.410 29.284 ( -5.126 13.007 -0.358) 13.985 29.602 ( 1.057 9.028 -0.457) 9.101 29.623 ( -1.236 8.891 -0.433) 8.987 31.634 ( 3.633 2.322 -0.315) 4.324 31.692 ( -2.349 0.815 -0.882) 2.638 32.399 ( 0.766 -7.341 -0.700) 7.414 32.416 ( -0.959 -6.700 -0.680) 6.803 83.238 ( 0.914 -0.768 3.101) 3.323 83.251 ( -0.314 -1.070 2.597) 2.827 84.103 ( 4.040 -17.317 18.320) 25.531 84.187 ( -4.523 -21.410 20.187) 29.772 ======================= Grid point 175 (64/144) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.000 12.352 -0.662) 12.370 2.524 ( 0.000 18.172 2.280) 18.315 2.629 ( 0.000 9.697 1.198) 9.770 2.842 ( 0.000 1.412 -6.818) 6.963 2.960 ( 0.000 2.294 2.588) 3.459 3.548 ( 0.000 -7.620 -5.644) 9.482 3.665 ( 0.000 -8.037 11.005) 13.628 4.111 ( 0.000 -5.943 3.512) 6.904 4.995 ( 0.000 22.489 3.098) 22.701 5.254 ( 0.000 22.319 -4.991) 22.870 5.438 ( 0.000 19.188 -4.347) 19.674 5.462 ( 0.000 18.916 -4.008) 19.336 7.255 ( 0.000 -1.586 4.509) 4.780 7.580 ( 0.000 -2.282 0.248) 2.296 7.954 ( 0.000 8.875 -3.028) 9.377 8.037 ( 0.000 -2.466 5.360) 5.901 9.098 ( 0.000 -2.020 -4.158) 4.622 9.376 ( 0.000 4.508 -8.584) 9.696 9.607 ( 0.000 8.245 -1.793) 8.437 10.029 ( 0.000 6.203 0.372) 6.215 10.164 ( 0.000 -6.284 -3.110) 7.011 10.299 ( 0.000 1.029 -1.882) 2.145 10.588 ( 0.000 -5.129 -1.267) 5.283 10.633 ( 0.000 -2.908 -5.683) 6.384 12.033 ( 0.000 1.729 13.192) 13.304 12.684 ( 0.000 2.683 5.201) 5.852 12.928 ( 0.000 -2.132 4.738) 5.195 13.141 ( 0.000 -12.367 0.038) 12.367 13.268 ( 0.000 13.274 -1.077) 13.317 13.453 ( 0.000 10.584 -1.103) 10.641 13.904 ( 0.000 -0.311 -13.931) 13.934 14.043 ( 0.000 4.087 -12.742) 13.382 15.903 ( 0.000 -2.509 8.741) 9.094 16.227 ( 0.000 -9.506 8.496) 12.749 16.281 ( 0.000 -12.550 -1.810) 12.680 16.490 ( 0.000 -14.960 1.495) 15.035 29.360 ( 0.000 12.510 1.948) 12.660 29.605 ( 0.000 8.981 -1.934) 9.187 29.743 ( 0.000 7.502 0.838) 7.549 29.803 ( 0.000 5.910 0.693) 5.951 31.648 ( 0.000 6.270 0.329) 6.279 31.744 ( 0.000 1.501 -0.839) 1.720 32.229 ( 0.000 -7.713 -0.359) 7.721 32.316 ( 0.000 -6.513 -0.922) 6.577 83.207 ( 0.000 0.284 2.390) 2.407 83.220 ( 0.000 -0.671 1.524) 1.665 83.808 ( 0.000 -9.897 11.015) 14.808 83.883 ( 0.000 -16.696 13.388) 21.401 ======================= Grid point 176 (65/144) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 2.863 12.930 -0.934) 13.276 2.525 ( -0.311 17.970 2.268) 18.116 2.596 ( -2.853 10.949 1.094) 11.367 2.767 ( -5.348 3.559 -0.189) 6.426 3.046 ( 6.896 -0.155 -2.581) 7.365 3.498 ( -5.316 -5.813 -4.255) 8.953 3.734 ( 6.982 -9.736 9.074) 15.029 4.099 ( -1.698 -7.503 4.314) 8.820 5.007 ( 1.520 23.526 2.172) 23.675 5.226 ( -3.108 23.477 -5.313) 24.271 5.427 ( -0.139 18.301 -2.358) 18.452 5.474 ( 0.351 18.770 -5.411) 19.537 7.285 ( 3.269 -1.065 4.324) 5.524 7.616 ( 2.402 -0.560 0.028) 2.467 7.800 ( -8.432 2.221 1.712) 8.886 8.096 ( -0.475 -0.007 0.876) 0.996 9.070 ( 0.791 3.094 -4.150) 5.236 9.516 ( 10.797 0.626 -7.978) 13.440 9.533 ( -6.472 8.448 -2.656) 10.968 10.084 ( -5.522 -0.345 -5.575) 7.854 10.102 ( 5.436 0.916 2.295) 5.971 10.340 ( 2.093 1.031 -0.150) 2.338 10.593 ( 1.019 -5.028 -2.688) 5.792 10.651 ( 1.348 -2.865 -5.502) 6.348 12.053 ( 2.328 2.140 12.714) 13.101 12.546 ( -11.595 3.281 6.840) 13.856 12.991 ( 4.331 -4.649 3.503) 7.256 13.132 ( -0.935 -12.500 0.393) 12.541 13.283 ( 1.474 13.378 -0.833) 13.485 13.428 ( -2.455 11.378 -1.005) 11.683 13.915 ( 1.125 0.076 -13.905) 13.951 14.027 ( -1.622 3.659 -12.890) 13.497 15.941 ( 3.804 -3.015 8.635) 9.905 16.202 ( -2.591 -8.743 8.345) 12.361 16.305 ( 2.338 -12.698 -1.401) 12.987 16.473 ( -1.763 -14.615 1.261) 14.774 29.382 ( 2.266 12.366 1.764) 12.695 29.582 ( -2.440 9.684 -1.287) 10.069 29.746 ( 0.323 7.125 0.649) 7.162 29.793 ( -0.951 6.017 0.675) 6.129 31.663 ( 1.524 5.590 0.059) 5.795 31.740 ( -0.409 1.782 -0.844) 2.014 32.236 ( 0.745 -7.586 -0.409) 7.633 32.306 ( -0.954 -6.611 -0.865) 6.735 83.217 ( 0.958 0.496 2.188) 2.439 83.229 ( 0.842 -0.453 1.461) 1.746 83.805 ( -0.120 -10.761 11.334) 15.629 83.868 ( -1.504 -16.315 13.186) 21.032 ======================= Grid point 177 (66/144) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 5.317 14.589 -1.206) 15.574 2.460 ( -5.933 16.166 -0.855) 17.241 2.595 ( 2.776 11.274 4.240) 12.361 2.670 ( -4.762 7.409 3.476) 9.468 3.196 ( 8.766 -2.555 -4.107) 10.012 3.363 ( -8.480 -4.163 -3.958) 10.243 3.892 ( 8.648 -10.691 7.445) 15.637 4.031 ( -5.642 -9.926 5.996) 12.896 5.058 ( 3.860 24.983 -0.424) 25.283 5.145 ( -4.936 24.903 -3.549) 25.634 5.441 ( 1.355 17.805 -3.150) 18.132 5.466 ( -1.063 18.157 -4.939) 18.846 7.380 ( 6.736 0.463 3.713) 7.705 7.533 ( -8.912 2.712 2.368) 9.612 7.819 ( 8.244 -3.043 0.702) 8.815 7.995 ( -8.888 -1.936 0.091) 9.097 9.172 ( 9.012 7.113 -3.706) 12.064 9.363 ( -10.226 8.275 -3.303) 13.563 9.739 ( 11.378 -2.116 -7.612) 13.852 9.935 ( -9.225 -3.540 -6.485) 11.819 10.235 ( 6.754 3.914 2.253) 8.125 10.332 ( -3.090 2.422 1.874) 4.350 10.632 ( 2.599 -4.152 -4.659) 6.761 10.664 ( -0.369 -3.186 -5.449) 6.323 12.137 ( 6.901 2.994 11.311) 13.585 12.316 ( -11.656 3.532 9.181) 15.252 13.060 ( 2.990 -9.256 2.305) 9.997 13.106 ( -1.872 -12.094 1.279) 12.305 13.320 ( 2.361 13.644 -0.676) 13.863 13.372 ( -3.108 12.997 -0.811) 13.389 13.946 ( 2.033 1.152 -13.680) 13.878 13.988 ( -2.323 2.534 -13.263) 13.701 16.033 ( 5.481 -4.537 8.413) 11.018 16.132 ( -4.696 -6.756 8.286) 11.677 16.362 ( 3.430 -13.176 -0.522) 13.625 16.425 ( -3.121 -13.877 0.527) 14.234 29.441 ( 3.861 11.880 1.153) 12.544 29.518 ( -4.034 10.945 0.045) 11.665 29.756 ( 0.726 6.571 0.461) 6.627 29.773 ( -1.038 6.244 0.542) 6.353 31.697 ( 1.831 4.086 -0.449) 4.500 31.726 ( -1.151 2.661 -0.769) 2.999 32.256 ( 1.312 -7.263 -0.544) 7.400 32.283 ( -1.444 -6.888 -0.718) 7.074 83.236 ( 0.863 0.654 1.748) 2.056 83.242 ( 0.292 0.202 1.439) 1.482 83.810 ( 0.727 -12.912 12.043) 17.672 83.834 ( -1.774 -15.065 12.702) 19.785 ======================= Grid point 180 (67/144) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 0.000 11.985 -3.895) 12.602 2.768 ( 0.000 3.693 -3.718) 5.240 2.785 ( 0.000 6.063 -0.220) 6.067 2.959 ( 0.000 13.680 -1.851) 13.804 3.033 ( 0.000 5.711 -0.485) 5.732 3.352 ( 0.000 -11.931 -6.040) 13.373 3.515 ( 0.000 -7.370 7.582) 10.574 3.910 ( 0.000 -13.145 3.467) 13.594 5.398 ( 0.000 17.607 0.246) 17.608 5.598 ( 0.000 12.514 -3.446) 12.980 5.754 ( 0.000 12.705 -5.341) 13.782 5.765 ( 0.000 11.966 -6.003) 13.388 7.262 ( 0.000 2.172 2.028) 2.972 7.519 ( 0.000 -4.071 -0.092) 4.072 8.024 ( 0.000 1.231 4.200) 4.377 8.093 ( 0.000 4.589 -3.886) 6.014 9.110 ( 0.000 3.717 -5.556) 6.684 9.427 ( 0.000 0.417 -11.433) 11.441 9.758 ( 0.000 7.002 -4.520) 8.334 9.993 ( 0.000 -4.279 0.769) 4.348 10.203 ( 0.000 4.564 -3.773) 5.921 10.303 ( 0.000 -0.181 -1.211) 1.224 10.481 ( 0.000 -5.435 0.965) 5.520 10.555 ( 0.000 -4.834 -3.596) 6.025 12.098 ( 0.000 5.361 10.773) 12.033 12.737 ( 0.000 2.705 6.887) 7.399 12.789 ( 0.000 -14.206 3.410) 14.609 12.913 ( 0.000 -5.460 6.391) 8.406 13.528 ( 0.000 11.432 -3.593) 11.983 13.697 ( 0.000 12.665 -0.122) 12.665 13.877 ( 0.000 -2.205 -10.446) 10.676 14.087 ( 0.000 0.155 -7.110) 7.111 15.870 ( 0.000 -0.767 4.764) 4.825 16.070 ( 0.000 -8.980 -0.798) 9.015 16.084 ( 0.000 -5.222 6.445) 8.295 16.237 ( 0.000 -10.679 2.176) 10.898 29.579 ( 0.000 9.807 1.521) 9.924 29.748 ( 0.000 5.362 -0.829) 5.426 29.861 ( 0.000 4.550 1.334) 4.742 29.886 ( 0.000 2.766 1.506) 3.149 31.775 ( 0.000 6.691 -0.567) 6.715 31.788 ( 0.000 2.968 -0.825) 3.080 32.088 ( 0.000 -6.652 -0.155) 6.654 32.187 ( 0.000 -6.683 -0.984) 6.755 83.215 ( 0.000 0.253 1.185) 1.211 83.224 ( 0.000 1.244 1.713) 2.117 83.628 ( 0.000 -9.598 6.981) 11.869 83.640 ( 0.000 -7.215 6.758) 9.886 ======================= Grid point 181 (68/144) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 3.870 12.417 -3.769) 13.542 2.775 ( -0.854 5.629 -1.520) 5.892 2.788 ( 1.380 7.082 -1.396) 7.349 2.918 ( -3.799 14.873 -0.714) 15.367 3.055 ( 2.531 1.851 -2.422) 3.962 3.354 ( -1.626 -8.839 -5.893) 10.747 3.535 ( 3.558 -10.181 7.564) 13.173 3.882 ( -3.053 -13.524 3.854) 14.390 5.419 ( 2.209 17.716 -0.463) 17.859 5.597 ( -0.583 14.045 -4.416) 14.735 5.722 ( -1.710 11.744 -3.969) 12.514 5.773 ( -0.320 11.547 -6.080) 13.053 7.301 ( 4.176 2.544 2.068) 5.310 7.571 ( 5.390 -3.896 -0.271) 6.656 7.859 ( -11.970 4.034 1.916) 12.776 8.094 ( -4.407 -0.978 -1.236) 4.680 9.159 ( 5.928 6.466 -6.330) 10.818 9.519 ( 8.267 -0.934 -10.362) 13.289 9.691 ( -6.476 7.556 -5.342) 11.294 9.972 ( -3.377 -4.503 -2.686) 6.237 10.219 ( 3.159 4.519 -0.768) 5.567 10.355 ( 3.367 0.534 -0.129) 3.411 10.485 ( 1.157 -5.562 -0.191) 5.684 10.573 ( 1.333 -4.835 -3.353) 6.033 12.123 ( 2.851 5.483 10.716) 12.370 12.615 ( -10.382 3.742 7.901) 13.573 12.804 ( 0.856 -14.682 3.493) 15.116 12.914 ( -0.845 -6.740 5.942) 9.025 13.542 ( 1.434 11.520 -3.217) 12.047 13.676 ( -2.031 12.554 -0.465) 12.725 13.895 ( 1.870 -1.928 -10.153) 10.502 14.064 ( -2.316 -0.074 -7.459) 7.811 15.899 ( 2.876 -1.158 4.842) 5.749 16.069 ( -1.243 -5.064 5.528) 7.599 16.093 ( 1.975 -8.706 0.198) 8.929 16.227 ( -1.099 -10.356 1.988) 10.602 29.598 ( 1.911 9.622 1.451) 9.917 29.740 ( -0.998 6.282 -0.469) 6.378 29.854 ( -0.589 3.818 1.287) 4.072 29.879 ( -0.752 2.907 1.359) 3.296 31.780 ( 0.470 6.272 -0.612) 6.319 31.790 ( 0.198 3.275 -0.813) 3.380 32.096 ( 0.848 -6.697 -0.267) 6.756 32.176 ( -1.071 -6.696 -0.932) 6.844 83.231 ( 1.467 0.650 1.180) 1.992 83.239 ( 1.407 1.584 1.535) 2.616 83.614 ( -1.331 -9.773 7.064) 12.132 83.625 ( -1.452 -7.813 6.815) 10.468 ======================= Grid point 182 (69/144) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.368 12.911 -3.461) 14.806 2.731 ( -4.450 10.402 -2.624) 11.614 2.813 ( 1.089 9.483 0.240) 9.548 2.844 ( -2.922 12.624 0.771) 12.980 3.140 ( 6.261 -2.704 -3.779) 7.796 3.268 ( -6.559 -5.158 -4.051) 9.276 3.654 ( 7.779 -13.305 5.423) 16.338 3.792 ( -6.336 -13.934 4.573) 15.975 5.479 ( 3.914 17.698 -2.280) 18.269 5.555 ( -3.688 16.908 -4.374) 17.849 5.718 ( 1.292 10.186 -3.681) 10.908 5.751 ( -1.765 10.648 -5.209) 11.984 7.420 ( 8.415 3.579 2.034) 9.368 7.607 ( -10.016 4.711 1.305) 11.146 7.740 ( 8.191 -4.803 0.212) 9.497 7.937 ( -10.713 -4.028 -0.760) 11.471 9.325 ( 10.633 8.525 -6.781) 15.223 9.527 ( -10.041 8.375 -6.433) 14.572 9.698 ( 9.434 -2.375 -8.815) 13.128 9.863 ( -7.681 -3.409 -6.718) 10.759 10.306 ( 4.892 2.992 1.783) 6.005 10.372 ( -1.639 1.721 1.854) 3.014 10.538 ( 3.542 -5.332 -2.295) 6.800 10.583 ( -0.824 -4.929 -3.069) 5.865 12.218 ( 7.368 5.619 10.354) 13.894 12.399 ( -11.369 5.193 9.361) 15.616 12.829 ( 1.973 -13.558 4.228) 14.339 12.876 ( -2.719 -10.393 5.150) 11.913 13.579 ( 2.381 11.834 -2.345) 12.297 13.629 ( -2.771 12.253 -1.320) 12.632 13.944 ( 3.153 -1.330 -9.358) 9.964 14.008 ( -3.425 -0.648 -8.333) 9.033 15.965 ( 3.784 -2.229 5.086) 6.720 16.030 ( -2.818 -3.626 5.509) 7.172 16.143 ( 2.918 -9.169 0.514) 9.636 16.194 ( -2.355 -9.687 1.394) 10.066 29.647 ( 3.088 9.063 1.167) 9.645 29.705 ( -2.728 8.014 0.478) 8.479 29.850 ( 0.272 2.885 1.045) 3.081 29.862 ( -0.895 2.897 1.089) 3.222 31.789 ( 0.396 5.248 -0.703) 5.309 31.793 ( 0.017 4.117 -0.774) 4.189 32.119 ( 1.508 -6.750 -0.525) 6.936 32.150 ( -1.647 -6.732 -0.775) 6.974 83.260 ( 1.238 1.698 1.091) 2.367 83.265 ( 0.815 2.185 1.173) 2.611 83.591 ( -0.740 -10.062 7.204) 12.397 83.596 ( -1.257 -9.230 7.054) 11.685 ======================= Grid point 185 (70/144) ======================= q-point: ( 0.00 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 0.000 7.947 -4.631) 9.198 2.772 ( 0.000 -1.775 -5.151) 5.448 2.899 ( 0.000 7.451 -3.678) 8.310 3.103 ( 0.000 -12.142 -5.456) 13.312 3.170 ( 0.000 7.549 -1.000) 7.615 3.239 ( 0.000 7.951 -1.870) 8.168 3.404 ( 0.000 0.372 5.743) 5.755 3.630 ( 0.000 -15.096 3.415) 15.477 5.658 ( 0.000 8.808 -1.446) 8.926 5.733 ( 0.000 1.364 -2.318) 2.689 5.922 ( 0.000 4.368 -6.070) 7.478 5.923 ( 0.000 4.163 -6.600) 7.804 7.330 ( 0.000 4.544 0.282) 4.552 7.427 ( 0.000 -5.119 -0.282) 5.127 8.072 ( 0.000 3.165 1.912) 3.697 8.122 ( 0.000 -1.231 -1.176) 1.702 9.235 ( 0.000 8.119 -9.528) 12.518 9.378 ( 0.000 -5.519 -12.158) 13.352 9.870 ( 0.000 4.314 -5.322) 6.851 9.931 ( 0.000 -2.533 -2.753) 3.741 10.265 ( 0.000 2.111 -1.853) 2.809 10.296 ( 0.000 -0.889 -1.018) 1.351 10.411 ( 0.000 -0.556 1.670) 1.760 10.459 ( 0.000 -4.484 -0.866) 4.567 12.252 ( 0.000 10.404 8.261) 13.285 12.496 ( 0.000 -14.367 5.558) 15.405 12.789 ( 0.000 2.620 7.727) 8.159 12.842 ( 0.000 -2.944 7.750) 8.291 13.708 ( 0.000 7.225 -5.052) 8.816 13.817 ( 0.000 -4.157 -7.315) 8.414 13.915 ( 0.000 9.202 -0.697) 9.229 14.047 ( 0.000 -4.374 -3.012) 5.311 15.876 ( 0.000 1.477 2.078) 2.550 15.935 ( 0.000 -4.865 0.369) 4.879 16.029 ( 0.000 -0.176 4.772) 4.776 16.080 ( 0.000 -5.382 3.293) 6.309 29.734 ( 0.000 5.913 1.061) 6.007 29.799 ( 0.000 -0.442 0.218) 0.493 29.919 ( 0.000 1.352 1.517) 2.032 29.920 ( 0.000 0.924 1.675) 1.913 31.857 ( 0.000 4.023 -0.813) 4.105 31.895 ( 0.000 4.141 -1.339) 4.352 31.981 ( 0.000 -2.799 0.066) 2.800 32.057 ( 0.000 -6.537 -0.832) 6.589 83.229 ( 0.000 1.006 1.539) 1.839 83.241 ( 0.000 0.125 1.945) 1.949 83.511 ( 0.000 -2.305 3.456) 4.154 83.531 ( 0.000 -3.782 3.816) 5.373 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 4.319 8.091 -4.781) 10.343 2.813 ( 3.834 -0.976 -5.254) 6.577 2.916 ( 1.568 7.584 -3.582) 8.533 3.082 ( -2.255 -4.547 -5.047) 7.158 3.181 ( -0.292 4.407 -1.925) 4.818 3.239 ( 1.381 5.097 -0.635) 5.319 3.377 ( -2.284 -1.870 5.779) 6.489 3.597 ( -3.416 -15.261 3.461) 16.017 5.679 ( 2.221 8.774 -1.978) 9.264 5.751 ( 1.867 1.763 -2.863) 3.846 5.889 ( -2.719 5.322 -5.736) 8.284 5.914 ( -1.489 2.926 -6.153) 6.974 7.376 ( 4.832 4.841 0.416) 6.853 7.478 ( 5.350 -5.354 -0.250) 7.573 7.951 ( -10.756 5.137 1.038) 11.965 8.044 ( -8.409 -3.982 -0.495) 9.317 9.313 ( 7.720 8.561 -9.581) 14.989 9.458 ( 7.565 -5.576 -11.417) 14.788 9.819 ( -5.182 5.403 -6.607) 9.985 9.902 ( -3.603 -3.389 -5.232) 7.200 10.286 ( 2.894 3.000 0.117) 4.170 10.347 ( 4.310 -2.590 -0.572) 5.060 10.417 ( 0.524 0.444 1.574) 1.718 10.477 ( 1.304 -4.592 -0.757) 4.834 12.276 ( 2.686 10.156 8.480) 13.501 12.512 ( 1.784 -13.751 5.920) 15.077 12.702 ( -8.048 4.511 8.184) 12.332 12.800 ( -4.636 -5.404 7.563) 10.387 13.725 ( 1.786 7.415 -4.667) 8.942 13.836 ( 1.979 -4.045 -6.898) 8.238 13.891 ( -2.307 8.881 -1.223) 9.257 14.021 ( -2.547 -4.392 -3.490) 6.160 15.899 ( 2.299 1.303 2.316) 3.514 15.957 ( 2.111 -4.781 0.707) 5.274 16.023 ( -0.726 -0.017 4.462) 4.520 16.074 ( -0.678 -5.283 3.056) 6.141 29.749 ( 1.547 5.738 1.108) 6.045 29.808 ( 0.924 0.150 0.324) 0.991 29.899 ( -1.699 1.425 1.624) 2.749 29.912 ( -1.039 0.476 1.448) 1.844 31.865 ( 0.777 4.310 -0.788) 4.449 31.899 ( 0.268 4.945 -1.196) 5.094 31.982 ( 0.230 -3.998 -0.127) 4.006 32.047 ( -1.017 -6.477 -0.837) 6.609 83.252 ( 2.352 1.382 1.615) 3.170 83.265 ( 2.400 0.527 1.988) 3.161 83.488 ( -2.298 -2.777 3.402) 4.956 83.507 ( -2.403 -4.099 3.739) 6.046 ======================= Grid point 187 (72/144) ======================= q-point: ( 0.40 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 5.499 8.091 -5.278) 11.115 2.883 ( 1.711 5.174 -5.016) 7.407 2.945 ( 1.967 2.812 -4.828) 5.923 3.017 ( -4.443 -0.461 -4.807) 6.562 3.176 ( 1.427 7.791 0.271) 7.925 3.236 ( -3.427 7.538 1.384) 8.395 3.392 ( 4.998 -12.871 3.905) 14.349 3.506 ( -5.981 -15.124 3.413) 16.618 5.737 ( 3.632 8.634 -3.331) 9.941 5.789 ( 0.504 5.734 -4.422) 7.259 5.835 ( -1.364 2.942 -4.253) 5.348 5.871 ( -2.858 1.601 -5.195) 6.142 7.512 ( 9.455 5.553 0.641) 10.983 7.624 ( 9.809 -5.534 -0.290) 11.266 7.724 ( -12.167 5.664 0.844) 13.448 7.840 ( -12.009 -5.775 -0.321) 13.329 9.493 ( 10.421 8.226 -9.324) 16.223 9.625 ( 9.144 -4.847 -10.113) 14.470 9.682 ( -8.765 6.667 -8.445) 13.878 9.792 ( -7.682 -4.363 -8.357) 12.161 10.360 ( 4.054 3.030 1.520) 5.285 10.411 ( -0.798 2.587 1.306) 3.006 10.437 ( 3.663 -4.642 0.092) 5.914 10.485 ( -0.934 -4.693 -0.499) 4.811 12.362 ( 6.656 9.250 8.848) 14.428 12.521 ( -9.124 6.887 8.684) 14.356 12.575 ( 4.002 -11.734 6.790) 14.135 12.685 ( -6.690 -9.197 7.315) 13.522 13.771 ( 3.008 7.940 -3.674) 9.251 13.833 ( -3.307 8.499 -2.418) 9.435 13.890 ( 3.336 -4.246 -5.889) 7.990 13.959 ( -3.734 -4.397 -4.644) 7.405 15.951 ( 2.865 0.902 2.923) 4.191 15.996 ( -1.119 -0.178 3.271) 3.461 16.008 ( 1.945 -4.205 1.976) 5.037 16.051 ( -1.865 -5.034 2.410) 5.884 29.788 ( 2.420 5.339 1.176) 5.979 29.823 ( -0.266 3.553 0.746) 3.640 29.868 ( -0.706 -0.487 1.425) 1.663 29.885 ( -1.612 -0.547 1.214) 2.091 31.883 ( 1.032 5.110 -0.752) 5.267 31.898 ( -0.461 5.823 -0.869) 5.906 31.995 ( 1.135 -5.880 -0.572) 6.015 32.022 ( -1.546 -6.353 -0.804) 6.588 83.308 ( 2.933 2.995 1.704) 4.525 83.318 ( 2.333 2.805 1.884) 4.106 83.438 ( -2.207 -5.211 3.483) 6.646 83.451 ( -3.027 -5.572 3.649) 7.316 ======================= Grid point 225 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 0.000 15.501) 15.501 1.357 ( 0.000 0.000 18.399) 18.399 2.007 ( 0.000 0.000 1.054) 1.054 2.289 ( 0.000 0.000 -5.202) 5.202 2.330 ( 0.000 0.000 7.250) 7.250 2.464 ( 0.000 0.000 24.642) 24.642 2.826 ( 0.000 0.000 -3.746) 3.746 2.995 ( 0.000 0.000 -0.897) 0.897 3.810 ( 0.000 0.000 2.051) 2.051 4.055 ( 0.000 0.000 -0.677) 0.677 4.720 ( 0.000 0.000 15.612) 15.612 5.151 ( 0.000 0.000 6.187) 6.187 7.545 ( 0.000 0.000 3.046) 3.046 7.655 ( 0.000 0.000 10.092) 10.092 7.774 ( 0.000 0.000 -1.751) 1.751 8.061 ( 0.000 0.000 -4.744) 4.744 8.607 ( 0.000 0.000 1.425) 1.425 8.743 ( 0.000 0.000 -1.539) 1.539 8.743 ( 0.000 0.000 2.728) 2.728 8.988 ( 0.000 0.000 -7.644) 7.644 10.408 ( 0.000 0.000 -2.188) 2.188 10.603 ( 0.000 0.000 -10.402) 10.402 10.623 ( 0.000 0.000 3.457) 3.457 11.738 ( 0.000 0.000 -23.298) 23.298 12.166 ( 0.000 0.000 1.254) 1.254 12.239 ( 0.000 0.000 -0.348) 0.348 12.248 ( 0.000 0.000 1.138) 1.138 12.351 ( 0.000 0.000 -1.025) 1.025 12.733 ( 0.000 0.000 15.793) 15.793 13.105 ( 0.000 0.000 1.831) 1.831 13.265 ( 0.000 0.000 1.524) 1.524 14.143 ( 0.000 0.000 -14.927) 14.927 16.628 ( 0.000 0.000 20.742) 20.742 17.247 ( 0.000 0.000 -3.538) 3.538 17.729 ( 0.000 0.000 1.108) 1.108 17.847 ( 0.000 0.000 -1.758) 1.758 28.461 ( 0.000 0.000 6.193) 6.193 28.493 ( 0.000 0.000 4.817) 4.817 28.960 ( 0.000 0.000 -4.446) 4.446 29.000 ( 0.000 0.000 -5.165) 5.165 31.446 ( 0.000 0.000 6.251) 6.251 31.798 ( 0.000 0.000 -1.812) 1.812 32.714 ( 0.000 0.000 -0.461) 0.461 32.750 ( 0.000 0.000 -2.565) 2.565 83.477 ( 0.000 0.000 10.211) 10.211 83.781 ( 0.000 0.000 8.475) 8.475 85.435 ( 0.000 0.000 31.868) 31.868 87.684 ( 0.000 0.000 -18.765) 18.765 ======================= Grid point 226 (74/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.773 0.000 12.346) 12.370 1.428 ( 7.174 0.000 16.477) 17.971 1.868 ( -12.937 0.000 0.628) 12.952 2.088 ( -12.383 0.000 3.287) 12.812 2.497 ( 8.729 0.000 -0.399) 8.738 2.570 ( 10.170 0.000 22.511) 24.701 2.806 ( -2.167 0.000 -3.583) 4.188 3.037 ( 2.126 0.000 0.557) 2.198 3.755 ( -2.137 0.000 5.568) 5.964 4.084 ( -0.279 0.000 1.407) 1.434 4.749 ( 3.638 0.000 12.299) 12.825 5.111 ( -4.145 0.000 5.752) 7.090 7.564 ( 1.983 0.000 2.700) 3.350 7.687 ( 3.363 0.000 9.675) 10.242 7.749 ( -2.557 0.000 -1.122) 2.792 8.030 ( -3.878 0.000 -0.178) 3.882 8.624 ( 1.624 0.000 0.974) 1.894 8.725 ( 1.911 0.000 0.481) 1.971 8.732 ( -1.078 0.000 -1.365) 1.739 9.061 ( 3.237 0.000 -9.297) 9.845 10.391 ( -0.379 0.000 -3.701) 3.720 10.580 ( -4.158 0.000 1.632) 4.467 10.761 ( 15.092 0.000 -11.330) 18.872 11.688 ( -6.050 0.000 -24.032) 24.782 12.170 ( 0.447 0.000 1.233) 1.312 12.220 ( -1.140 0.000 0.636) 1.305 12.270 ( 1.434 0.000 0.101) 1.438 12.344 ( -0.729 0.000 -0.951) 1.198 12.715 ( -1.210 0.000 16.119) 16.165 12.947 ( -9.617 0.000 5.868) 11.266 13.468 ( 14.235 0.000 -2.645) 14.479 14.094 ( -5.076 0.000 -13.913) 14.810 16.722 ( 9.784 0.000 20.133) 22.384 17.289 ( 3.997 0.000 -2.225) 4.575 17.676 ( -7.218 0.000 3.068) 7.843 17.725 ( -10.023 0.000 -1.355) 10.114 28.464 ( 0.302 0.000 6.069) 6.077 28.490 ( -0.340 0.000 4.957) 4.968 28.964 ( 0.407 0.000 -4.523) 4.541 28.996 ( -0.370 0.000 -5.104) 5.117 31.506 ( 5.728 0.000 3.704) 6.822 31.783 ( -1.695 0.000 -1.997) 2.619 32.713 ( 0.007 0.000 -0.519) 0.519 32.746 ( -0.482 0.000 -2.282) 2.332 83.487 ( 1.263 0.000 10.578) 10.653 83.724 ( -5.262 0.000 9.648) 10.990 85.615 ( 18.271 0.000 28.731) 34.049 87.392 ( -28.403 0.000 -8.897) 29.764 ======================= Grid point 227 (75/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 7.733 0.000 5.953) 9.759 1.596 ( -14.110 0.000 1.601) 14.201 1.610 ( 11.575 0.000 12.117) 16.758 1.846 ( -12.981 0.000 7.435) 14.960 2.641 ( 6.565 0.000 -2.096) 6.891 2.744 ( -4.354 0.000 -3.067) 5.326 2.795 ( 12.344 0.000 15.731) 19.996 2.992 ( -7.326 0.000 6.768) 9.974 3.813 ( 8.022 0.000 8.387) 11.606 3.991 ( -8.805 0.000 6.706) 11.068 4.860 ( 7.521 0.000 6.650) 10.039 5.003 ( -7.001 0.000 5.105) 8.665 7.616 ( 3.420 0.000 1.715) 3.826 7.686 ( -3.760 0.000 0.289) 3.771 7.780 ( 6.373 0.000 8.733) 10.811 7.915 ( -7.442 0.000 6.283) 9.739 8.662 ( 2.265 0.000 0.027) 2.265 8.703 ( -1.942 0.000 -0.833) 2.114 8.851 ( 9.971 0.000 -4.463) 10.925 9.027 ( -6.787 0.000 -8.199) 10.643 10.414 ( 2.785 0.000 -3.706) 4.636 10.489 ( -4.840 0.000 -1.449) 5.052 11.117 ( 20.870 0.000 -17.294) 27.104 11.481 ( -15.985 0.000 -22.664) 27.734 12.182 ( 0.799 0.000 1.157) 1.406 12.199 ( -1.018 0.000 0.982) 1.414 12.298 ( 1.488 0.000 -0.385) 1.537 12.324 ( -1.261 0.000 -0.734) 1.459 12.718 ( 1.999 0.000 14.461) 14.599 12.796 ( -6.180 0.000 10.402) 12.099 13.734 ( 13.299 0.000 -7.264) 15.153 13.954 ( -9.698 0.000 -11.197) 14.813 16.980 ( 16.822 0.000 17.996) 24.634 17.296 ( -11.535 0.000 11.578) 16.343 17.488 ( -0.455 0.000 -2.625) 2.664 17.589 ( -6.839 0.000 -2.808) 7.393 28.471 ( 0.505 0.000 5.738) 5.760 28.482 ( -0.529 0.000 5.313) 5.340 28.974 ( 0.638 0.000 -4.715) 4.758 28.986 ( -0.615 0.000 -4.937) 4.975 31.628 ( 6.419 0.000 -0.266) 6.425 31.729 ( -4.076 0.000 -1.980) 4.532 32.718 ( 0.570 0.000 -0.860) 1.031 32.733 ( -0.863 0.000 -1.578) 1.799 83.530 ( 3.365 0.000 11.142) 11.639 83.615 ( -5.540 0.000 10.986) 12.303 86.089 ( 30.936 0.000 21.072) 37.431 86.744 ( -36.887 0.000 8.495) 37.852 ======================= Grid point 230 (76/144) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 7.639 13.908) 15.867 1.592 ( 0.000 18.464 16.758) 24.935 2.033 ( 0.000 4.498 0.850) 4.578 2.422 ( 0.000 8.886 11.301) 14.376 2.443 ( 0.000 13.245 -4.231) 13.904 2.613 ( 0.000 14.812 18.001) 23.312 2.948 ( 0.000 10.665 -3.756) 11.307 3.088 ( 0.000 11.644 -2.119) 11.835 3.842 ( 0.000 3.801 1.441) 4.065 4.053 ( 0.000 -0.165 -0.175) 0.241 4.706 ( 0.000 -1.304 14.931) 14.988 5.130 ( 0.000 -2.115 5.931) 6.297 7.582 ( 0.000 0.148 6.719) 6.720 7.759 ( 0.000 11.288 4.898) 12.305 7.762 ( 0.000 -1.296 -0.460) 1.375 8.117 ( 0.000 5.083 -3.814) 6.355 8.606 ( 0.000 1.466 2.475) 2.876 8.772 ( 0.000 3.219 1.482) 3.544 8.828 ( 0.000 8.272 -1.797) 8.465 9.093 ( 0.000 9.693 -10.254) 14.110 10.368 ( 0.000 -3.852 -1.474) 4.124 10.511 ( 0.000 -8.406 -8.924) 12.259 10.622 ( 0.000 -0.081 2.674) 2.675 11.511 ( 0.000 -17.673 -14.113) 22.617 12.201 ( 0.000 3.446 0.177) 3.451 12.278 ( 0.000 -4.486 2.163) 4.980 12.297 ( 0.000 5.357 0.610) 5.392 12.456 ( 0.000 16.638 -7.407) 18.212 12.741 ( 0.000 0.418 12.777) 12.783 13.256 ( 0.000 12.346 -2.541) 12.605 13.277 ( 0.000 1.036 2.194) 2.426 14.088 ( 0.000 -5.531 -14.078) 15.126 16.592 ( 0.000 -3.561 19.688) 20.008 17.187 ( 0.000 -6.056 -3.442) 6.965 17.655 ( 0.000 -7.457 1.040) 7.529 17.713 ( 0.000 -13.035 0.829) 13.061 28.519 ( 0.000 5.898 5.916) 8.354 28.595 ( 0.000 9.699 2.741) 10.079 29.011 ( 0.000 5.177 -4.095) 6.601 29.054 ( 0.000 5.469 -4.965) 7.386 31.452 ( 0.000 0.634 5.925) 5.959 31.786 ( 0.000 -1.190 -1.675) 2.055 32.692 ( 0.000 -2.205 -0.505) 2.262 32.721 ( 0.000 -3.011 -2.340) 3.813 83.462 ( 0.000 -1.414 9.699) 9.801 83.726 ( 0.000 -5.354 8.584) 10.117 85.335 ( 0.000 -9.973 30.439) 32.031 87.260 ( 0.000 -39.710 -7.221) 40.361 ======================= Grid point 231 (77/144) ======================= q-point: ( 0.20 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.363 6.945 11.533) 13.467 1.644 ( 4.545 15.798 14.378) 21.840 1.902 ( -10.843 6.906 1.759) 12.975 2.275 ( -9.906 15.572 4.279) 18.945 2.597 ( 10.469 10.215 7.055) 16.240 2.693 ( 6.980 12.059 12.143) 18.482 2.944 ( -1.253 12.326 -3.714) 12.934 3.105 ( 0.461 8.817 -0.712) 8.858 3.787 ( -1.980 3.712 5.163) 6.661 4.092 ( 0.474 1.032 1.513) 1.892 4.731 ( 3.301 -1.732 11.881) 12.452 5.090 ( -4.145 -2.112 5.479) 7.188 7.608 ( 2.851 0.445 6.417) 7.036 7.753 ( 0.213 5.449 2.974) 6.211 7.771 ( 0.050 4.408 2.221) 4.936 8.049 ( -7.014 2.266 0.893) 7.425 8.610 ( 2.529 0.914 1.607) 3.133 8.810 ( -1.656 7.785 -1.394) 8.080 8.825 ( 4.692 8.047 -1.249) 9.398 9.140 ( 2.252 8.014 -11.266) 14.008 10.363 ( 0.544 -2.605 -3.838) 4.670 10.577 ( -4.193 -0.514 2.145) 4.738 10.648 ( 13.116 -10.178 -9.610) 19.182 11.462 ( -5.611 -17.940 -14.932) 24.005 12.199 ( -0.050 1.342 0.772) 1.549 12.276 ( -1.673 3.893 1.341) 4.445 12.288 ( 0.932 -0.731 1.589) 1.982 12.444 ( -1.973 13.935 -5.522) 15.118 12.747 ( 1.541 3.406 11.516) 12.107 13.085 ( -8.567 10.664 1.111) 13.724 13.488 ( 12.444 1.980 -2.712) 12.889 14.044 ( -4.601 -5.088 -13.070) 14.760 16.682 ( 9.257 -4.060 19.116) 21.624 17.229 ( 4.034 -6.054 -2.241) 7.612 17.582 ( -10.738 -10.499 4.723) 15.743 17.625 ( -5.203 -8.676 -1.155) 10.182 28.525 ( 0.572 6.137 5.734) 8.418 28.585 ( -0.967 9.140 3.275) 9.758 29.016 ( 0.446 5.219 -4.198) 6.713 29.050 ( -0.403 5.427 -4.881) 7.310 31.507 ( 5.289 0.163 3.674) 6.442 31.771 ( -1.683 -1.180 -1.809) 2.738 32.691 ( -0.049 -2.263 -0.566) 2.333 32.717 ( -0.389 -2.913 -2.068) 3.594 83.472 ( 1.113 -1.541 10.049) 10.227 83.678 ( -4.474 -4.509 9.479) 11.411 85.494 ( 16.182 -11.952 27.828) 34.338 87.022 ( -23.374 -34.965 -0.495) 42.062 ======================= Grid point 232 (78/144) ======================= q-point: ( 0.40 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 5.839 4.862 6.510) 10.005 1.589 ( -10.822 2.499 3.439) 11.627 1.865 ( 8.571 20.400 10.734) 24.594 2.068 ( -11.535 18.639 7.702) 23.233 2.784 ( 7.618 13.311 -1.737) 15.435 2.858 ( 10.655 7.100 12.858) 18.146 2.892 ( -4.208 13.529 -3.252) 14.536 3.043 ( -7.426 6.440 4.890) 10.979 3.844 ( 7.671 3.649 8.182) 11.795 4.013 ( -8.158 2.510 6.642) 10.815 4.838 ( 7.462 -2.200 6.389) 10.067 4.982 ( -7.063 -2.185 4.844) 8.839 7.686 ( 4.786 3.308 4.476) 7.341 7.752 ( -1.878 5.633 1.340) 6.087 7.781 ( 2.879 2.047 6.137) 7.081 7.891 ( -8.274 -1.518 6.511) 10.637 8.694 ( 4.871 3.356 -0.011) 5.915 8.768 ( -2.963 6.173 -0.738) 6.887 8.950 ( 8.463 9.527 -5.393) 13.838 9.104 ( -6.171 7.973 -9.447) 13.816 10.400 ( 3.326 -1.282 -4.126) 5.453 10.482 ( -5.102 -0.647 -1.589) 5.383 10.963 ( 18.507 -13.856 -12.958) 26.503 11.281 ( -13.768 -16.947 -15.516) 26.786 12.207 ( 1.083 0.101 1.643) 1.970 12.239 ( -2.048 2.039 1.610) 3.308 12.319 ( 2.370 3.589 1.520) 4.562 12.380 ( -3.932 8.144 -0.519) 9.058 12.816 ( 5.430 9.120 6.632) 12.516 12.937 ( -7.176 11.513 3.080) 13.912 13.721 ( 11.771 -1.424 -6.634) 13.586 13.917 ( -8.725 -3.752 -10.382) 14.071 16.926 ( 15.868 -5.493 17.149) 24.001 17.230 ( -12.365 -6.731 11.919) 18.446 17.403 ( 1.674 -8.343 -2.828) 8.967 17.514 ( -6.730 -7.488 -2.303) 10.328 28.540 ( 1.043 6.844 5.192) 8.654 28.563 ( -1.265 7.951 4.313) 9.133 29.027 ( 0.671 5.290 -4.429) 6.932 29.040 ( -0.646 5.354 -4.679) 7.140 31.622 ( 6.072 -0.630 0.040) 6.104 31.718 ( -3.961 -1.066 -1.676) 4.431 32.694 ( 0.449 -2.429 -0.845) 2.611 32.706 ( -0.719 -2.684 -1.445) 3.132 83.510 ( 2.968 -2.021 10.594) 11.186 83.584 ( -4.819 -3.045 10.515) 11.961 85.912 ( 27.130 -17.251 21.547) 38.703 86.479 ( -31.429 -25.460 11.900) 42.162 ======================= Grid point 235 (79/144) ======================= q-point: ( 0.00 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 13.397 10.358) 16.934 1.855 ( 0.000 8.255 12.602) 15.065 2.191 ( 0.000 8.946 5.592) 10.550 2.655 ( 0.000 6.311 -2.463) 6.775 2.719 ( 0.000 19.435 8.006) 21.019 2.982 ( 0.000 23.115 12.786) 26.416 3.239 ( 0.000 18.870 -3.650) 19.220 3.458 ( 0.000 24.413 -5.229) 24.967 3.991 ( 0.000 12.416 0.174) 12.418 4.059 ( 0.000 1.334 2.011) 2.413 4.681 ( 0.000 -0.514 12.118) 12.129 5.071 ( 0.000 -3.877 4.989) 6.318 7.558 ( 0.000 -1.984 6.517) 6.812 7.726 ( 0.000 -2.270 0.948) 2.460 7.926 ( 0.000 2.878 7.602) 8.128 8.214 ( 0.000 3.696 -0.458) 3.724 8.731 ( 0.000 11.335 -1.780) 11.474 8.873 ( 0.000 6.994 -1.165) 7.090 9.036 ( 0.000 12.223 -2.184) 12.416 9.321 ( 0.000 12.672 -11.482) 17.100 10.280 ( 0.000 -4.477 -0.479) 4.502 10.340 ( 0.000 -7.479 -7.584) 10.651 10.622 ( 0.000 0.167 0.746) 0.764 11.156 ( 0.000 -17.767 -5.995) 18.751 12.236 ( 0.000 0.250 4.903) 4.909 12.303 ( 0.000 7.427 -2.710) 7.906 12.461 ( 0.000 11.311 0.661) 11.330 12.682 ( 0.000 1.567 5.628) 5.842 12.861 ( 0.000 16.488 -7.860) 18.266 13.294 ( 0.000 0.553 3.381) 3.426 13.480 ( 0.000 9.370 -8.042) 12.348 13.934 ( 0.000 -10.093 -11.869) 15.581 16.494 ( 0.000 -6.377 16.883) 18.047 17.019 ( 0.000 -10.979 -3.142) 11.420 17.385 ( 0.000 -19.472 5.103) 20.130 17.449 ( 0.000 -13.299 0.851) 13.326 28.681 ( 0.000 10.335 5.218) 11.577 28.832 ( 0.000 13.654 -0.357) 13.659 29.154 ( 0.000 9.168 -3.135) 9.689 29.205 ( 0.000 9.741 -4.349) 10.667 31.472 ( 0.000 1.444 5.001) 5.205 31.756 ( 0.000 -1.702 -1.372) 2.186 32.630 ( 0.000 -4.100 -0.642) 4.150 32.637 ( 0.000 -5.451 -1.768) 5.730 83.424 ( 0.000 -2.472 8.316) 8.675 83.591 ( 0.000 -7.866 8.426) 11.527 85.068 ( 0.000 -16.747 26.492) 31.341 86.337 ( 0.000 -50.513 9.315) 51.365 ======================= Grid point 236 (80/144) ======================= q-point: ( 0.20 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -1.725 12.590 8.893) 15.510 1.842 ( -3.973 7.060 6.756) 10.548 2.149 ( -0.311 12.622 10.816) 16.625 2.571 ( -6.318 12.248 5.077) 14.687 2.867 ( 10.574 12.636 1.512) 16.546 3.008 ( 3.538 23.254 11.382) 26.130 3.228 ( -1.587 16.844 -3.965) 17.377 3.442 ( -2.535 24.072 -4.552) 24.629 3.925 ( -1.185 10.830 4.814) 11.911 4.145 ( 3.031 5.524 1.681) 6.522 4.693 ( 2.038 -1.535 9.883) 10.207 5.031 ( -4.192 -3.892 4.522) 7.292 7.581 ( 2.611 -2.369 6.889) 7.739 7.755 ( 2.670 -1.712 1.932) 3.714 7.893 ( -3.042 1.794 6.795) 7.658 8.133 ( -8.252 5.449 1.396) 9.987 8.695 ( 1.830 7.514 0.509) 7.750 8.998 ( -1.245 10.931 -1.831) 11.153 9.024 ( 7.545 11.707 -3.978) 14.485 9.351 ( 1.543 12.608 -12.483) 17.809 10.308 ( 2.571 -2.405 -4.665) 5.844 10.413 ( 7.741 -11.165 -2.846) 13.881 10.583 ( -3.221 0.246 -1.950) 3.774 11.102 ( -5.759 -17.730 -6.638) 19.789 12.201 ( -1.545 0.882 4.051) 4.425 12.357 ( 2.478 6.924 0.419) 7.366 12.416 ( -2.956 8.900 1.103) 9.443 12.646 ( -3.829 5.924 3.030) 7.677 12.913 ( 5.245 14.284 -5.949) 16.339 13.257 ( -3.822 5.930 -1.736) 7.266 13.540 ( 5.855 3.117 -5.024) 8.320 13.901 ( -3.371 -9.359 -10.920) 14.772 16.570 ( 7.865 -7.197 16.401) 19.561 17.060 ( 4.073 -11.046 -2.259) 11.988 17.292 ( -9.195 -17.795 6.597) 21.088 17.412 ( -3.858 -13.261 0.072) 13.811 28.692 ( 1.138 10.614 4.929) 11.758 28.812 ( -1.926 13.308 0.595) 13.460 29.159 ( 0.531 9.212 -3.296) 9.798 29.200 ( -0.530 9.640 -4.206) 10.531 31.515 ( 4.228 0.773 3.386) 5.472 31.742 ( -1.591 -1.631 -1.398) 2.673 32.626 ( -0.226 -4.373 -0.793) 4.450 32.637 ( -0.121 -5.119 -1.444) 5.320 83.430 ( 0.765 -2.642 8.623) 9.051 83.564 ( -2.649 -6.752 8.764) 11.376 85.179 ( 11.352 -19.437 24.962) 33.612 86.195 ( -14.185 -46.027 11.719) 49.569 ======================= Grid point 237 (81/144) ======================= q-point: ( 0.40 0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.294 10.887 5.680) 12.714 1.697 ( -8.821 8.237 3.151) 12.474 2.241 ( 8.431 15.007 13.468) 21.856 2.418 ( -9.407 14.324 10.006) 19.844 3.039 ( 6.871 10.341 -0.318) 12.419 3.115 ( 3.132 16.838 4.589) 17.731 3.194 ( 2.131 20.329 -1.506) 20.496 3.340 ( -7.957 23.371 -1.252) 24.720 3.984 ( 6.501 11.424 7.242) 15.007 4.115 ( -5.709 8.894 5.973) 12.140 4.781 ( 6.927 -3.298 5.129) 9.228 4.921 ( -7.097 -3.860 3.830) 8.941 7.662 ( 5.810 -3.417 7.723) 10.251 7.772 ( -3.882 -4.303 7.227) 9.263 7.861 ( 2.488 4.425 2.617) 5.711 7.964 ( -7.888 6.768 2.744) 10.750 8.795 ( 7.027 6.786 0.570) 9.786 8.918 ( -5.524 8.705 -0.268) 10.313 9.190 ( 8.378 14.065 -7.345) 17.943 9.323 ( -4.866 13.499 -10.876) 18.006 10.371 ( 4.077 -1.571 -5.253) 6.833 10.457 ( -4.418 -2.775 -1.223) 5.358 10.679 ( 13.788 -12.429 -7.706) 20.100 10.935 ( -11.823 -16.640 -7.627) 21.791 12.208 ( 2.517 1.290 5.045) 5.784 12.290 ( -5.590 3.495 4.745) 8.123 12.464 ( 4.661 9.644 -0.108) 10.712 12.557 ( -5.102 9.516 1.056) 10.849 13.034 ( 6.914 12.410 -5.295) 15.161 13.160 ( -6.162 10.427 -4.960) 13.088 13.674 ( 7.677 -3.387 -5.539) 10.054 13.809 ( -6.238 -7.202 -8.447) 12.733 16.776 ( 13.304 -9.561 14.830) 22.099 17.039 ( -12.943 -12.500 11.885) 21.565 17.188 ( 5.422 -13.050 -2.819) 14.410 17.312 ( -6.450 -12.897 -1.352) 14.483 28.723 ( 2.093 11.385 4.024) 12.255 28.768 ( -2.547 12.418 2.467) 12.914 29.172 ( 0.769 9.309 -3.608) 10.013 29.187 ( -0.770 9.453 -3.919) 10.262 31.609 ( 5.131 -0.467 0.559) 5.182 31.693 ( -3.564 -1.302 -1.054) 3.938 32.625 ( 0.176 -4.565 -0.853) 4.647 32.632 ( -0.391 -4.832 -1.099) 4.971 83.456 ( 2.026 -3.298 9.102) 9.891 83.506 ( -3.100 -4.734 9.168) 10.774 85.471 ( 18.749 -26.426 21.375) 38.816 85.853 ( -20.495 -36.166 16.687) 44.793 ======================= Grid point 240 (82/144) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 16.666 6.757) 17.984 1.989 ( 0.000 6.485 8.939) 11.044 2.345 ( 0.000 7.539 7.071) 10.336 2.715 ( 0.000 1.051 -2.616) 2.819 2.975 ( 0.000 6.284 6.599) 9.112 3.525 ( 0.000 7.372 -5.300) 9.079 3.544 ( 0.000 31.968 6.692) 32.661 3.989 ( 0.000 26.030 -2.269) 26.129 4.121 ( 0.000 6.899 4.387) 8.175 4.331 ( 0.000 21.361 0.344) 21.364 4.739 ( 0.000 8.294 4.815) 9.591 4.988 ( 0.000 -4.063 2.616) 4.832 7.510 ( 0.000 -3.085 4.877) 5.771 7.679 ( 0.000 -2.410 1.364) 2.769 7.901 ( 0.000 -3.235 10.146) 10.650 8.240 ( 0.000 -0.855 2.128) 2.294 8.950 ( 0.000 8.539 -5.657) 10.243 9.018 ( 0.000 6.991 -3.888) 8.000 9.272 ( 0.000 11.314 -0.912) 11.351 9.559 ( 0.000 11.778 -7.481) 13.953 10.218 ( 0.000 -1.463 -0.967) 1.754 10.256 ( 0.000 -1.449 -8.372) 8.496 10.626 ( 0.000 -0.011 -0.964) 0.964 10.843 ( 0.000 -13.902 -1.063) 13.943 12.267 ( 0.000 2.247 8.691) 8.977 12.499 ( 0.000 12.526 -4.444) 13.291 12.683 ( 0.000 0.172 6.177) 6.179 12.721 ( 0.000 14.754 0.788) 14.775 13.212 ( 0.000 17.845 -13.030) 22.096 13.294 ( 0.000 -0.499 4.119) 4.149 13.610 ( 0.000 4.259 -10.869) 11.674 13.706 ( 0.000 -12.909 -8.859) 15.657 16.353 ( 0.000 -7.878 13.155) 15.334 16.774 ( 0.000 -13.749 -2.631) 13.999 16.996 ( 0.000 -19.607 7.223) 20.895 17.154 ( 0.000 -16.527 0.643) 16.540 28.908 ( 0.000 12.717 4.383) 13.451 29.101 ( 0.000 13.698 -1.620) 13.793 29.355 ( 0.000 11.080 -1.830) 11.230 29.416 ( 0.000 11.470 -3.299) 11.935 31.510 ( 0.000 2.520 3.641) 4.427 31.726 ( 0.000 -1.266 -1.101) 1.677 32.514 ( 0.000 -6.992 -1.082) 7.075 32.536 ( 0.000 -5.489 -0.854) 5.555 83.370 ( 0.000 -2.939 6.445) 7.084 83.441 ( 0.000 -7.090 7.319) 10.190 84.712 ( 0.000 -19.155 20.951) 28.388 85.407 ( 0.000 -43.504 15.130) 46.059 ======================= Grid point 241 (83/144) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -3.016 14.697 6.247) 16.252 1.995 ( -2.461 9.259 4.393) 10.539 2.336 ( 1.827 7.843 11.129) 13.737 2.705 ( -2.836 2.856 2.189) 4.581 3.029 ( 6.014 4.325 3.727) 8.292 3.456 ( -5.136 9.402 -2.633) 11.032 3.608 ( 4.734 29.428 3.807) 30.049 3.986 ( -3.154 30.648 -6.064) 31.402 4.131 ( 3.997 6.142 8.662) 11.346 4.371 ( 2.587 18.086 1.455) 18.328 4.727 ( -0.577 7.357 3.502) 8.168 4.950 ( -3.855 -3.517 2.025) 5.598 7.527 ( 1.964 -3.214 5.423) 6.603 7.704 ( 1.516 -3.173 3.289) 4.815 7.871 ( -1.799 -2.528 7.563) 8.175 8.195 ( -5.502 0.552 1.833) 5.825 8.852 ( -0.659 7.180 -0.698) 7.244 9.209 ( -2.837 9.932 -0.725) 10.355 9.235 ( 10.053 8.644 -7.118) 15.048 9.595 ( 2.192 12.161 -9.252) 15.437 10.251 ( 3.269 -5.071 -1.219) 6.155 10.286 ( 3.337 -0.001 -6.312) 7.139 10.591 ( -3.056 0.371 -2.626) 4.046 10.801 ( -4.365 -12.607 -1.808) 13.463 12.245 ( -1.197 3.048 8.095) 8.733 12.512 ( -4.535 7.133 4.145) 9.414 12.591 ( 0.630 9.631 -1.470) 9.762 12.783 ( 1.394 10.342 1.715) 10.575 13.217 ( 1.375 14.455 -9.981) 17.620 13.322 ( 1.866 2.286 -1.679) 3.395 13.594 ( -1.061 1.722 -8.956) 9.182 13.694 ( -1.452 -11.077 -8.495) 14.035 16.412 ( 6.107 -8.721 12.785) 16.638 16.813 ( 3.917 -13.958 -2.152) 14.656 16.933 ( -6.427 -18.256 7.807) 20.870 17.120 ( -3.491 -16.263 0.344) 16.637 28.924 ( 1.601 12.889 4.038) 13.602 29.079 ( -2.229 13.751 -0.704) 13.949 29.360 ( 0.559 11.045 -2.039) 11.246 29.409 ( -0.732 11.365 -3.110) 11.805 31.540 ( 3.003 1.879 2.632) 4.413 31.714 ( -1.330 -1.101 -1.045) 2.018 32.514 ( 0.059 -6.770 -0.988) 6.842 32.533 ( -0.305 -5.661 -0.829) 5.729 83.374 ( 0.438 -3.051 6.709) 7.383 83.433 ( -0.830 -6.233 7.238) 9.588 84.773 ( 6.352 -21.431 20.303) 30.197 85.334 ( -7.384 -40.869 15.696) 44.398 ======================= Grid point 242 (84/144) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 1.429 13.852 4.214) 14.549 1.897 ( -5.926 12.047 2.450) 13.648 2.441 ( 8.008 7.036 12.674) 16.561 2.598 ( -7.762 5.297 8.905) 12.946 3.178 ( 8.734 3.571 0.305) 9.441 3.335 ( -7.555 5.680 -1.647) 9.595 3.725 ( 7.505 30.311 1.495) 31.262 3.873 ( -7.577 29.325 -2.359) 30.380 4.256 ( 7.468 12.997 6.797) 16.459 4.369 ( -3.516 15.766 4.933) 16.889 4.753 ( 3.866 3.106 0.614) 4.997 4.854 ( -5.875 -1.375 0.714) 6.076 7.588 ( 4.360 -3.978 6.738) 8.957 7.677 ( -4.276 -4.796 7.463) 9.848 7.906 ( 5.695 0.352 2.361) 6.175 8.049 ( -8.637 1.704 1.716) 8.969 8.932 ( 7.479 6.518 1.400) 10.019 9.084 ( -7.817 7.806 0.994) 11.092 9.446 ( 9.676 10.775 -9.356) 17.241 9.583 ( -4.198 12.101 -10.477) 16.548 10.322 ( 3.789 -5.073 -3.122) 7.060 10.358 ( 1.725 -3.736 -0.728) 4.179 10.563 ( 2.505 -0.963 -6.254) 6.806 10.683 ( -7.666 -8.408 -3.849) 12.011 12.259 ( 3.173 3.463 8.294) 9.532 12.366 ( -7.725 3.964 7.935) 11.762 12.675 ( 5.226 11.995 -1.911) 13.223 12.760 ( -3.363 11.689 0.041) 12.163 13.268 ( 3.551 10.365 -8.786) 14.044 13.326 ( -1.839 6.460 -7.580) 10.128 13.599 ( 1.945 -3.772 -6.170) 7.488 13.651 ( -2.903 -7.997 -7.086) 11.072 16.569 ( 10.035 -11.161 11.679) 19.018 16.767 ( -10.205 -14.641 10.023) 20.469 16.913 ( 6.074 -14.882 -1.747) 16.169 17.030 ( -5.838 -15.613 -0.545) 16.678 28.967 ( 2.829 13.300 2.974) 13.919 29.025 ( -3.206 13.668 1.229) 14.093 29.374 ( 0.873 11.041 -2.416) 11.336 29.392 ( -0.971 11.164 -2.764) 11.542 31.609 ( 3.855 0.563 0.708) 3.959 31.674 ( -2.846 -0.526 -0.603) 2.956 32.518 ( 0.299 -6.358 -0.834) 6.419 32.525 ( -0.451 -5.993 -0.788) 6.061 83.388 ( 1.082 -3.507 7.063) 7.960 83.412 ( -1.321 -4.628 7.170) 8.635 84.938 ( 10.608 -27.214 18.779) 34.725 85.151 ( -11.237 -34.484 17.082) 40.090 ======================= Grid point 245 (85/144) ======================= q-point: ( 0.00 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.000 6.816 6.028) 9.099 2.232 ( 0.000 17.914 4.025) 18.360 2.500 ( 0.000 8.390 4.646) 9.590 2.720 ( 0.000 -0.256 -3.716) 3.725 3.021 ( 0.000 -0.295 4.150) 4.161 3.540 ( 0.000 -4.160 -6.972) 8.119 4.060 ( 0.000 -5.500 13.194) 14.295 4.088 ( 0.000 19.875 4.684) 20.420 4.618 ( 0.000 29.429 -6.763) 30.196 4.726 ( 0.000 16.006 4.386) 16.596 4.997 ( 0.000 9.573 -4.808) 10.713 5.017 ( 0.000 18.339 -2.060) 18.454 7.435 ( 0.000 -4.404 4.934) 6.614 7.634 ( 0.000 -2.339 0.903) 2.507 7.862 ( 0.000 0.087 5.732) 5.733 8.196 ( 0.000 -3.200 3.295) 4.594 9.033 ( 0.000 0.638 -5.041) 5.081 9.126 ( 0.000 3.984 -7.253) 8.275 9.461 ( 0.000 7.963 1.066) 8.034 9.789 ( 0.000 11.689 -4.172) 12.412 10.222 ( 0.000 1.469 -2.289) 2.720 10.223 ( 0.000 -3.648 -6.466) 7.424 10.614 ( 0.000 -1.351 -1.393) 1.941 10.637 ( 0.000 -6.813 -0.304) 6.820 12.298 ( 0.000 0.548 12.251) 12.263 12.713 ( 0.000 3.122 4.355) 5.358 12.772 ( 0.000 14.565 -4.544) 15.257 13.004 ( 0.000 12.869 0.883) 12.900 13.289 ( 0.000 0.603 3.275) 3.330 13.452 ( 0.000 -12.058 -4.454) 12.855 13.527 ( 0.000 13.642 -11.723) 17.986 13.669 ( 0.000 2.902 -11.868) 12.217 16.197 ( 0.000 -7.876 9.382) 12.249 16.501 ( 0.000 -13.818 -1.945) 13.954 16.645 ( 0.000 -16.055 7.155) 17.577 16.825 ( 0.000 -16.842 0.647) 16.855 29.163 ( 0.000 13.154 3.616) 13.642 29.357 ( 0.000 12.378 -1.516) 12.471 29.570 ( 0.000 10.647 -0.529) 10.660 29.632 ( 0.000 10.281 -1.921) 10.459 31.571 ( 0.000 3.792 2.088) 4.329 31.712 ( 0.000 -0.054 -0.955) 0.957 32.371 ( 0.000 -7.595 -0.488) 7.611 32.420 ( 0.000 -6.315 -1.094) 6.409 83.314 ( 0.000 -2.708 4.539) 5.286 83.327 ( 0.000 -4.458 5.386) 6.992 84.345 ( 0.000 -18.040 14.999) 23.461 84.663 ( 0.000 -32.872 13.405) 35.500 ======================= Grid point 246 (86/144) ======================= q-point: ( 0.20 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -1.490 10.427 4.445) 11.432 2.234 ( -1.711 15.478 2.400) 15.756 2.486 ( 0.946 7.922 7.168) 10.725 2.730 ( -0.764 0.361 -0.327) 0.906 3.058 ( 4.567 -0.632 2.615) 5.300 3.495 ( -4.845 -2.775 -4.836) 7.387 4.112 ( 5.023 -5.047 11.202) 13.273 4.129 ( 3.987 16.706 4.004) 17.636 4.585 ( -2.754 29.669 -5.789) 30.353 4.711 ( -2.416 13.534 4.722) 14.537 4.977 ( -0.868 15.308 -5.905) 16.430 5.023 ( -0.170 16.027 -2.237) 16.184 7.454 ( 2.041 -4.101 5.186) 6.919 7.651 ( 0.602 -1.938 2.497) 3.218 7.829 ( -1.483 -1.436 4.362) 4.826 8.171 ( -3.849 -2.445 1.792) 4.899 8.952 ( -0.568 3.195 -1.896) 3.758 9.327 ( 13.289 1.773 -8.892) 16.087 9.380 ( -7.340 7.105 0.851) 10.251 9.820 ( 0.895 10.337 -6.712) 12.357 10.186 ( 0.424 -2.937 -1.535) 3.341 10.294 ( 3.762 0.845 -3.468) 5.186 10.589 ( -2.134 -0.815 -2.475) 3.368 10.629 ( -0.985 -5.075 -1.286) 5.327 12.293 ( 0.009 1.518 11.804) 11.901 12.607 ( -8.587 4.076 6.605) 11.575 12.829 ( 4.414 13.396 -4.858) 14.918 13.024 ( 0.807 12.184 -0.354) 12.216 13.297 ( 0.967 -0.183 2.928) 3.089 13.422 ( -2.500 -8.517 -4.387) 9.901 13.545 ( 1.563 9.624 -11.133) 14.799 13.655 ( -1.413 3.058 -11.844) 12.314 16.242 ( 4.593 -8.476 9.145) 13.288 16.535 ( 3.456 -14.063 -1.629) 14.573 16.604 ( -4.199 -15.128 7.306) 17.317 16.797 ( -2.869 -16.474 0.534) 16.730 29.181 ( 1.806 13.203 3.296) 13.728 29.338 ( -1.939 12.659 -0.803) 12.832 29.574 ( 0.404 10.484 -0.749) 10.518 29.623 ( -0.868 10.240 -1.757) 10.426 31.590 ( 1.898 3.266 1.526) 4.074 31.704 ( -0.894 0.189 -0.879) 1.267 32.374 ( 0.386 -7.458 -0.515) 7.486 32.414 ( -0.569 -6.434 -1.005) 6.537 83.316 ( 0.337 -2.716 4.839) 5.560 83.332 ( 0.354 -3.951 5.069) 6.437 84.370 ( 2.596 -19.578 14.810) 24.686 84.628 ( -3.583 -31.528 13.508) 34.486 ======================= Grid point 247 (87/144) ======================= q-point: ( 0.40 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 1.863 13.526 2.664) 13.911 2.160 ( -4.774 14.737 1.431) 15.557 2.559 ( 5.718 5.731 8.369) 11.644 2.669 ( -5.187 2.696 5.198) 7.823 3.193 ( 8.938 -1.401 0.072) 9.047 3.365 ( -8.552 -1.708 -1.818) 8.908 4.202 ( 3.682 9.408 5.028) 11.284 4.215 ( 3.115 -0.379 6.087) 6.848 4.553 ( 0.740 25.980 -2.583) 26.119 4.627 ( -5.685 14.295 2.762) 15.630 4.981 ( 1.162 18.182 -5.307) 18.977 5.008 ( -1.331 17.314 -3.361) 17.687 7.514 ( 4.200 -3.402 5.769) 7.905 7.604 ( -4.803 -2.314 5.772) 7.857 7.885 ( 6.951 -2.262 0.983) 7.376 8.043 ( -8.697 -1.887 0.473) 8.912 9.036 ( 8.231 4.299 0.637) 9.308 9.214 ( -9.669 5.633 1.023) 11.237 9.570 ( 11.881 2.013 -10.173) 15.770 9.758 ( -7.371 4.966 -10.011) 13.387 10.251 ( 5.386 -0.739 1.563) 5.657 10.329 ( -1.329 0.479 0.382) 1.464 10.564 ( 0.420 0.164 -5.100) 5.120 10.598 ( -2.224 -1.721 -3.916) 4.821 12.323 ( 3.725 2.864 10.945) 11.911 12.439 ( -8.211 3.664 9.332) 12.959 12.922 ( 5.078 12.554 -4.124) 14.156 13.003 ( -3.034 12.173 -2.457) 12.783 13.327 ( 2.106 -2.519 1.096) 3.462 13.372 ( -2.622 -5.490 -1.948) 6.388 13.580 ( 2.064 6.222 -11.359) 13.115 13.620 ( -2.129 4.003 -11.709) 12.556 16.357 ( 7.193 -10.251 8.526) 15.150 16.495 ( -6.931 -12.815 7.784) 16.518 16.621 ( 5.288 -14.726 -0.805) 15.668 16.721 ( -4.950 -15.625 0.040) 16.391 29.228 ( 3.034 13.258 2.327) 13.798 29.288 ( -3.138 13.099 0.794) 13.493 29.585 ( 0.826 10.245 -1.144) 10.342 29.604 ( -1.084 10.181 -1.462) 10.342 31.634 ( 2.512 2.081 0.382) 3.285 31.677 ( -1.900 0.927 -0.503) 2.173 32.385 ( 0.725 -7.123 -0.616) 7.187 32.400 ( -0.839 -6.739 -0.803) 6.839 83.326 ( 0.605 -2.691 4.969) 5.683 83.335 ( -0.186 -3.152 4.927) 5.852 84.441 ( 4.762 -23.455 14.336) 27.899 84.540 ( -5.363 -27.987 13.831) 31.675 ======================= Grid point 250 (88/144) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 7.444 2.212) 7.766 2.578 ( 0.000 17.004 2.775) 17.228 2.666 ( 0.000 8.365 2.421) 8.708 2.715 ( 0.000 0.284 -5.581) 5.588 2.999 ( 0.000 -1.232 1.153) 1.688 3.404 ( 0.000 -9.261 -8.078) 12.289 3.900 ( 0.000 -10.113 11.793) 15.535 4.203 ( 0.000 -5.966 5.176) 7.899 5.046 ( 0.000 19.049 1.646) 19.120 5.139 ( 0.000 23.479 -6.098) 24.258 5.321 ( 0.000 18.262 -6.805) 19.489 5.372 ( 0.000 16.686 -4.615) 17.312 7.356 ( 0.000 -3.233 5.208) 6.130 7.584 ( 0.000 -2.941 -0.020) 2.941 7.907 ( 0.000 4.058 -0.993) 4.178 8.133 ( 0.000 -2.853 3.515) 4.527 9.017 ( 0.000 -1.271 -3.552) 3.773 9.178 ( 0.000 1.540 -10.191) 10.307 9.588 ( 0.000 5.307 0.158) 5.309 9.991 ( 0.000 7.462 -5.460) 9.247 10.115 ( 0.000 -5.281 -0.215) 5.286 10.256 ( 0.000 1.647 -2.164) 2.719 10.556 ( 0.000 -2.660 -1.888) 3.262 10.570 ( 0.000 -3.138 -0.608) 3.196 12.297 ( 0.000 -0.047 12.430) 12.430 12.794 ( 0.000 4.635 5.264) 7.014 12.988 ( 0.000 4.661 0.459) 4.683 13.082 ( 0.000 -7.774 -5.066) 9.279 13.292 ( 0.000 5.546 3.071) 6.339 13.451 ( 0.000 11.346 0.943) 11.385 13.664 ( 0.000 2.047 -9.332) 9.554 13.804 ( 0.000 9.317 -10.346) 13.923 16.055 ( 0.000 -6.389 6.137) 8.859 16.251 ( 0.000 -11.580 -1.176) 11.639 16.379 ( 0.000 -11.223 6.203) 12.823 16.517 ( 0.000 -14.335 1.106) 14.377 29.410 ( 0.000 11.915 2.942) 12.273 29.577 ( 0.000 9.993 -0.947) 10.038 29.757 ( 0.000 8.314 0.489) 8.328 29.804 ( 0.000 7.193 -0.494) 7.210 31.657 ( 0.000 5.009 0.626) 5.048 31.726 ( 0.000 1.528 -0.873) 1.760 32.224 ( 0.000 -7.403 -0.097) 7.404 32.293 ( 0.000 -6.660 -1.292) 6.784 83.269 ( 0.000 -1.737 2.991) 3.459 83.270 ( 0.000 -1.481 3.380) 3.691 84.022 ( 0.000 -14.936 9.654) 17.784 84.121 ( 0.000 -22.974 9.475) 24.851 ======================= Grid point 251 (89/144) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 2.220 8.990 1.735) 9.421 2.554 ( -3.872 16.211 0.436) 16.673 2.648 ( 0.583 8.500 3.509) 9.215 2.734 ( 0.459 0.589 -2.303) 2.421 3.028 ( 3.669 -1.798 0.308) 4.097 3.390 ( -2.378 -7.423 -6.034) 9.857 3.930 ( 3.617 -11.408 9.889) 15.525 4.197 ( -1.006 -7.776 5.054) 9.329 5.038 ( -0.580 20.316 0.626) 20.334 5.113 ( -2.400 23.811 -5.586) 24.575 5.332 ( 0.966 18.169 -6.588) 19.351 5.370 ( -0.223 16.673 -4.468) 17.263 7.383 ( 2.933 -2.690 5.138) 6.499 7.619 ( 2.887 -1.908 0.130) 3.463 7.824 ( -6.028 1.155 1.225) 6.259 8.117 ( -3.532 -2.759 0.630) 4.526 8.995 ( 1.862 1.887 -2.837) 3.883 9.329 ( 11.654 -0.929 -9.851) 15.288 9.499 ( -8.170 5.310 -0.480) 9.756 9.940 ( -6.734 0.053 -8.354) 10.730 10.156 ( 6.106 2.060 2.759) 7.010 10.322 ( 4.593 1.608 -1.517) 5.098 10.549 ( -0.627 -2.898 -1.489) 3.318 10.574 ( 0.366 -2.011 -2.056) 2.900 12.310 ( 1.636 0.770 12.272) 12.405 12.693 ( -8.838 4.623 7.230) 12.319 13.021 ( 2.368 3.232 -1.160) 4.171 13.084 ( 0.082 -8.419 -4.444) 9.520 13.308 ( 1.443 6.149 2.902) 6.951 13.429 ( -2.128 11.140 1.150) 11.400 13.671 ( 0.835 2.779 -9.691) 10.116 13.786 ( -1.826 8.642 -10.399) 13.644 16.092 ( 3.644 -6.720 6.070) 9.761 16.281 ( 3.001 -11.767 -0.799) 12.170 16.352 ( -2.742 -10.646 6.038) 12.543 16.497 ( -2.127 -13.940 1.021) 14.139 29.428 ( 1.802 11.885 2.705) 12.321 29.565 ( -1.293 10.439 -0.434) 10.528 29.756 ( -0.015 7.995 0.300) 8.001 29.795 ( -0.893 7.191 -0.412) 7.258 31.667 ( 1.009 4.616 0.371) 4.739 31.723 ( -0.351 1.807 -0.824) 2.016 32.229 ( 0.582 -7.349 -0.205) 7.375 32.285 ( -0.772 -6.744 -1.173) 6.889 83.276 ( 0.719 -1.157 3.190) 3.469 83.280 ( 0.809 -1.590 3.123) 3.597 84.023 ( 0.176 -15.890 9.642) 18.587 84.104 ( -1.725 -22.431 9.482) 24.414 ======================= Grid point 252 (90/144) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 4.880 12.128 0.871) 13.102 2.451 ( -6.117 14.504 0.048) 15.741 2.681 ( 2.179 7.002 3.558) 8.151 2.720 ( -1.726 2.888 1.057) 3.527 3.143 ( 7.938 -3.240 -0.908) 8.622 3.296 ( -7.285 -4.793 -2.476) 9.065 4.035 ( 6.689 -12.674 6.511) 15.740 4.147 ( -4.514 -11.177 5.142) 13.105 5.036 ( 0.607 22.873 -1.755) 22.949 5.065 ( -2.333 24.110 -4.104) 24.567 5.350 ( 0.853 17.642 -5.712) 18.563 5.363 ( -0.514 16.965 -4.719) 17.617 7.467 ( 5.804 -1.165 4.731) 7.579 7.590 ( -6.358 0.841 3.242) 7.186 7.825 ( 6.821 -3.826 -0.145) 7.822 7.989 ( -9.016 -3.479 -0.904) 9.706 9.113 ( 9.520 3.965 -1.682) 10.449 9.313 ( -10.802 4.819 -1.254) 11.894 9.559 ( 12.005 -2.256 -9.775) 15.645 9.772 ( -10.393 -2.460 -9.208) 14.102 10.288 ( 6.490 3.487 2.735) 7.859 10.366 ( -1.005 2.557 1.346) 3.059 10.550 ( 1.085 -1.805 -3.285) 3.902 10.573 ( -0.762 -1.420 -3.356) 3.723 12.373 ( 5.319 2.513 11.569) 12.979 12.513 ( -9.191 3.985 9.858) 14.055 13.060 ( 1.638 -1.588 -2.660) 3.505 13.081 ( -0.576 -6.822 -3.517) 7.696 13.339 ( 1.857 7.889 2.366) 8.443 13.382 ( -2.578 10.085 1.689) 10.545 13.698 ( 2.009 4.671 -10.241) 11.434 13.743 ( -2.546 6.887 -10.444) 12.767 16.180 ( 5.335 -7.760 5.952) 11.140 16.279 ( -4.739 -9.352 5.973) 12.066 16.355 ( 4.458 -12.182 -0.130) 12.972 16.438 ( -3.968 -13.060 0.630) 13.664 29.473 ( 2.866 11.724 1.977) 12.230 29.527 ( -2.608 11.248 0.794) 11.573 29.760 ( 0.528 7.459 -0.063) 7.478 29.776 ( -1.029 7.228 -0.277) 7.306 31.690 ( 1.286 3.655 -0.167) 3.879 31.712 ( -0.881 2.587 -0.612) 2.801 32.245 ( 1.039 -7.188 -0.495) 7.280 32.266 ( -1.158 -6.955 -0.865) 7.104 83.290 ( 0.593 -0.818 3.136) 3.294 83.293 ( 0.381 -1.094 3.080) 3.291 84.034 ( 1.113 -18.269 9.596) 20.666 84.065 ( -2.099 -20.790 9.524) 22.964 ======================= Grid point 255 (91/144) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 8.628 -2.237) 8.913 2.689 ( 0.000 -0.435 -4.058) 4.081 2.793 ( 0.000 3.539 0.994) 3.676 2.930 ( 0.000 16.332 -1.010) 16.363 3.016 ( 0.000 4.287 -1.235) 4.461 3.196 ( 0.000 -11.676 -8.507) 14.446 3.692 ( 0.000 -10.585 9.278) 14.076 3.991 ( 0.000 -13.794 4.127) 14.398 5.398 ( 0.000 15.649 -0.369) 15.654 5.513 ( 0.000 14.478 -4.906) 15.287 5.623 ( 0.000 12.084 -7.046) 13.988 5.637 ( 0.000 10.200 -6.004) 11.836 7.323 ( 0.000 0.022 4.059) 4.060 7.515 ( 0.000 -4.128 -0.309) 4.140 7.996 ( 0.000 4.455 -5.189) 6.839 8.094 ( 0.000 -1.132 1.870) 2.186 9.010 ( 0.000 0.933 -3.890) 4.000 9.185 ( 0.000 -0.991 -11.515) 11.557 9.679 ( 0.000 4.249 -2.842) 5.112 9.950 ( 0.000 -6.044 -5.363) 8.080 10.169 ( 0.000 5.568 0.831) 5.630 10.279 ( 0.000 0.728 -1.045) 1.274 10.500 ( 0.000 -3.636 0.864) 3.737 10.505 ( 0.000 -2.722 -1.271) 3.004 12.321 ( 0.000 2.985 10.744) 11.151 12.837 ( 0.000 -12.554 0.772) 12.577 12.878 ( 0.000 3.856 6.557) 7.607 13.024 ( 0.000 -1.346 3.945) 4.168 13.470 ( 0.000 9.388 -1.553) 9.516 13.689 ( 0.000 0.680 -7.604) 7.634 13.697 ( 0.000 12.247 0.209) 12.249 13.944 ( 0.000 4.589 -6.668) 8.095 15.956 ( 0.000 -3.623 3.606) 5.112 16.059 ( 0.000 -7.963 -0.354) 7.971 16.206 ( 0.000 -6.599 5.257) 8.437 16.281 ( 0.000 -9.607 2.044) 9.822 29.618 ( 0.000 9.226 2.270) 9.501 29.737 ( 0.000 6.218 -0.314) 6.226 29.887 ( 0.000 4.934 1.095) 5.054 29.909 ( 0.000 3.607 0.705) 3.675 31.763 ( 0.000 5.777 -0.523) 5.801 31.771 ( 0.000 3.059 -0.750) 3.150 32.087 ( 0.000 -6.545 0.068) 6.545 32.163 ( 0.000 -6.667 -1.366) 6.805 83.251 ( 0.000 -0.093 2.080) 2.082 83.265 ( 0.000 0.735 2.051) 2.179 83.762 ( 0.000 -13.992 5.833) 15.159 83.769 ( 0.000 -10.912 5.575) 12.254 ======================= Grid point 256 (92/144) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 4.076 9.131 -2.207) 10.240 2.719 ( 2.578 0.030 -3.671) 4.486 2.774 ( -2.188 5.954 -0.381) 6.355 2.906 ( -2.548 14.413 -0.314) 14.640 3.016 ( 1.415 1.480 -1.779) 2.712 3.230 ( 1.782 -7.863 -5.948) 10.019 3.694 ( 1.053 -12.143 8.130) 14.651 3.965 ( -2.913 -14.412 3.916) 15.216 5.404 ( 0.694 15.975 -1.074) 16.026 5.498 ( -1.511 15.321 -5.162) 16.237 5.623 ( 0.068 10.884 -5.649) 12.263 5.636 ( -0.077 10.597 -6.465) 12.413 7.361 ( 4.004 0.498 3.885) 5.601 7.563 ( 4.901 -3.859 -0.575) 6.265 7.871 ( -9.916 3.414 -0.822) 10.519 8.067 ( -5.097 -2.500 -1.551) 5.886 9.044 ( 5.108 3.448 -4.456) 7.605 9.297 ( 9.665 -2.455 -10.788) 14.691 9.595 ( -7.909 4.681 -3.627) 9.880 9.870 ( -7.395 -5.047 -6.901) 11.304 10.236 ( 6.063 4.265 1.993) 7.676 10.345 ( 5.216 0.656 -0.665) 5.299 10.489 ( -0.301 -3.020 0.381) 3.058 10.527 ( 1.125 -2.811 -1.185) 3.252 12.346 ( 2.839 3.395 10.821) 11.691 12.779 ( -8.206 3.582 7.618) 11.756 12.856 ( 1.028 -11.270 1.230) 11.384 13.013 ( -1.712 -3.079 3.333) 4.850 13.490 ( 1.950 9.494 -1.486) 9.806 13.669 ( -2.644 11.649 -0.179) 11.946 13.710 ( 2.081 1.387 -7.598) 7.999 13.915 ( -2.909 4.194 -6.899) 8.582 15.988 ( 3.086 -3.835 3.717) 6.168 16.087 ( 2.757 -7.976 0.013) 8.439 16.188 ( -1.831 -6.244 4.991) 8.201 16.268 ( -1.452 -9.322 1.913) 9.627 29.635 ( 1.694 9.169 2.148) 9.568 29.736 ( -0.259 6.872 -0.002) 6.877 29.878 ( -0.794 4.405 1.003) 4.587 29.900 ( -0.910 3.592 0.679) 3.767 31.767 ( 0.382 5.523 -0.567) 5.565 31.774 ( 0.223 3.383 -0.739) 3.470 32.092 ( 0.572 -6.643 -0.090) 6.668 32.154 ( -0.894 -6.708 -1.251) 6.882 83.266 ( 1.434 0.323 2.070) 2.539 83.278 ( 1.240 1.142 2.032) 2.640 83.748 ( -1.292 -14.172 5.818) 15.375 83.755 ( -1.357 -11.548 5.596) 12.904 ======================= Grid point 257 (93/144) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 6.734 9.698 -2.131) 11.998 2.685 ( -6.060 8.258 -1.612) 10.369 2.784 ( 3.131 4.302 -3.162) 6.189 2.846 ( -3.371 8.605 -1.196) 9.319 3.094 ( 6.190 -0.450 -0.491) 6.226 3.206 ( -4.474 -3.032 -1.747) 5.680 3.760 ( 5.783 -14.960 4.990) 16.797 3.880 ( -5.938 -15.355 3.723) 16.879 5.426 ( 1.606 16.473 -2.812) 16.788 5.462 ( -2.090 16.344 -4.560) 17.096 5.627 ( 0.282 10.102 -5.053) 11.299 5.633 ( -0.303 10.428 -5.961) 12.016 7.473 ( 7.709 1.803 3.157) 8.523 7.628 ( -5.515 2.545 0.682) 6.112 7.743 ( 4.228 -4.138 0.008) 5.916 7.912 ( -10.051 -4.340 -1.823) 11.098 9.201 ( 10.528 5.128 -4.824) 12.665 9.409 ( -10.631 5.076 -4.660) 12.669 9.501 ( 10.727 -3.532 -10.038) 15.110 9.701 ( -10.047 -4.277 -8.797) 14.023 10.352 ( 5.266 2.704 2.456) 6.409 10.409 ( -0.004 1.706 1.557) 2.309 10.501 ( 1.977 -2.919 -1.203) 3.726 10.533 ( -0.719 -2.563 -1.705) 3.161 12.436 ( 6.782 4.281 10.686) 13.361 12.597 ( -9.866 4.777 9.687) 14.628 12.894 ( 2.906 -10.164 1.713) 10.709 12.959 ( -3.598 -6.785 2.542) 8.089 13.539 ( 3.192 10.082 -1.243) 10.648 13.606 ( -3.697 10.998 -0.702) 11.625 13.766 ( 3.773 2.170 -7.704) 8.849 13.844 ( -4.235 3.243 -7.377) 9.103 16.060 ( 4.197 -4.482 4.033) 7.346 16.131 ( -2.237 -5.908 3.935) 7.442 16.159 ( 2.702 -7.653 1.322) 8.223 16.224 ( -3.105 -8.684 1.467) 9.339 29.677 ( 2.523 8.964 1.733) 9.472 29.719 ( -1.684 8.277 0.903) 8.494 29.868 ( 0.030 3.466 0.709) 3.538 29.880 ( -1.035 3.415 0.597) 3.618 31.775 ( 0.307 4.894 -0.649) 4.946 31.777 ( 0.068 4.126 -0.707) 4.187 32.108 ( 1.115 -6.787 -0.485) 6.895 32.132 ( -1.317 -6.790 -0.929) 6.979 83.294 ( 1.188 1.355 2.022) 2.708 83.300 ( 0.652 1.790 1.995) 2.758 83.725 ( -0.767 -14.253 5.778) 15.399 83.728 ( -1.057 -13.137 5.681) 14.351 ======================= Grid point 260 (94/144) ======================= q-point: ( 0.00 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 7.801 -5.390) 9.482 2.672 ( 0.000 -1.792 -4.923) 5.239 2.832 ( 0.000 2.749 -2.470) 3.695 2.965 ( 0.000 -10.475 -6.993) 12.595 3.151 ( 0.000 7.726 -0.905) 7.779 3.199 ( 0.000 7.242 -1.956) 7.501 3.541 ( 0.000 -1.429 7.168) 7.309 3.709 ( 0.000 -14.214 3.976) 14.760 5.629 ( 0.000 7.687 -1.407) 7.815 5.683 ( 0.000 2.618 -2.478) 3.605 5.773 ( 0.000 3.974 -7.698) 8.664 5.778 ( 0.000 3.762 -7.535) 8.422 7.354 ( 0.000 2.970 2.234) 3.716 7.429 ( 0.000 -4.411 0.585) 4.449 8.062 ( 0.000 2.055 -4.936) 5.347 8.082 ( 0.000 -0.432 -1.603) 1.661 9.059 ( 0.000 3.838 -6.875) 7.874 9.138 ( 0.000 -3.672 -10.333) 10.966 9.759 ( 0.000 4.126 -5.098) 6.558 9.844 ( 0.000 -4.773 -5.421) 7.223 10.250 ( 0.000 2.829 0.232) 2.838 10.283 ( 0.000 -0.553 -0.354) 0.657 10.447 ( 0.000 -1.293 1.753) 2.178 10.456 ( 0.000 -1.933 0.512) 2.000 12.423 ( 0.000 7.467 8.132) 11.040 12.605 ( 0.000 -10.953 4.627) 11.890 12.942 ( 0.000 2.730 6.825) 7.351 12.988 ( 0.000 -2.123 6.113) 6.471 13.616 ( 0.000 5.400 -3.634) 6.509 13.683 ( 0.000 -1.624 -5.511) 5.745 13.893 ( 0.000 7.435 -1.235) 7.537 13.978 ( 0.000 -1.224 -3.554) 3.759 15.917 ( 0.000 -0.388 1.850) 1.890 15.946 ( 0.000 -3.550 0.640) 3.608 16.124 ( 0.000 -1.598 4.313) 4.600 16.148 ( 0.000 -4.033 3.184) 5.139 29.760 ( 0.000 5.126 1.467) 5.331 29.807 ( 0.000 0.615 0.471) 0.775 29.949 ( 0.000 1.492 1.353) 2.014 29.952 ( 0.000 0.993 1.352) 1.677 31.842 ( 0.000 3.932 -0.647) 3.985 31.869 ( 0.000 3.793 -1.227) 3.986 31.981 ( 0.000 -3.052 -0.015) 3.052 32.036 ( 0.000 -6.073 -1.158) 6.183 83.265 ( 0.000 1.348 1.883) 2.315 83.281 ( 0.000 0.271 1.816) 1.836 83.582 ( 0.000 -4.060 3.348) 5.262 83.605 ( 0.000 -5.552 3.202) 6.410 ======================= Grid point 261 (95/144) ======================= q-point: ( 0.20 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 4.080 7.543 -5.423) 10.146 2.708 ( 3.575 -1.603 -5.120) 6.447 2.844 ( 0.666 3.174 -3.065) 4.462 2.955 ( -1.520 -6.965 -6.599) 9.714 3.158 ( 0.736 8.020 -0.414) 8.064 3.222 ( 3.024 5.524 -0.986) 6.375 3.508 ( -3.063 -3.253 6.711) 8.063 3.672 ( -3.774 -14.669 3.637) 15.577 5.638 ( 1.001 7.754 -2.010) 8.072 5.689 ( 0.539 3.410 -3.176) 4.691 5.757 ( -1.311 3.970 -6.718) 7.913 5.774 ( -0.687 3.001 -7.242) 7.869 7.400 ( 4.774 3.261 2.054) 6.135 7.478 ( 5.149 -4.514 0.369) 6.857 7.945 ( -10.004 3.824 -2.135) 10.921 8.013 ( -7.877 -3.133 -2.703) 8.898 9.131 ( 7.354 5.164 -7.513) 11.713 9.229 ( 8.430 -4.508 -10.213) 13.989 9.684 ( -7.181 4.563 -6.108) 10.474 9.774 ( -6.772 -4.710 -6.846) 10.720 10.302 ( 4.772 2.640 1.212) 5.586 10.341 ( 5.031 -1.240 -0.016) 5.182 10.451 ( 0.447 -0.347 1.624) 1.719 10.474 ( 1.213 -2.307 0.421) 2.640 12.451 ( 3.133 7.390 8.367) 11.594 12.628 ( 2.511 -10.466 4.972) 11.856 12.866 ( -7.192 4.017 7.455) 11.110 12.943 ( -4.758 -3.864 6.051) 8.613 13.638 ( 2.299 5.558 -3.562) 6.990 13.707 ( 2.475 -1.578 -5.492) 6.227 13.861 ( -3.249 7.197 -1.628) 8.062 13.944 ( -3.386 -1.329 -3.902) 5.334 15.945 ( 2.802 -0.437 2.089) 3.522 15.974 ( 2.787 -3.535 0.954) 4.601 16.112 ( -1.319 -1.385 4.055) 4.483 16.138 ( -1.142 -4.022 2.987) 5.138 29.776 ( 1.595 5.066 1.467) 5.510 29.818 ( 1.147 1.098 0.562) 1.685 29.931 ( -1.696 1.417 1.404) 2.618 29.940 ( -1.255 0.661 1.234) 1.881 31.850 ( 0.794 4.256 -0.651) 4.378 31.875 ( 0.491 4.467 -1.166) 4.643 31.979 ( -0.113 -4.015 -0.143) 4.019 32.027 ( -0.968 -6.131 -1.112) 6.305 83.290 ( 2.482 1.856 1.942) 3.657 83.306 ( 2.477 0.890 1.861) 3.224 83.558 ( -2.397 -4.726 3.289) 6.237 83.579 ( -2.533 -6.013 3.146) 7.244 ======================= Grid point 262 (96/144) ======================= q-point: ( 0.40 0.47 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 375 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.557 6.692 -5.283) 10.178 2.783 ( 2.150 1.958 -4.758) 5.576 2.835 ( -0.339 1.003 -5.503) 5.603 2.900 ( -4.156 -3.260 -6.122) 8.085 3.202 ( 4.157 10.328 2.019) 11.315 3.270 ( -0.670 9.777 1.550) 9.921 3.475 ( 1.911 -12.970 4.237) 13.778 3.573 ( -6.330 -15.502 2.972) 17.006 5.665 ( 1.697 7.861 -3.587) 8.806 5.692 ( -0.732 6.924 -4.815) 8.466 5.738 ( -0.033 1.625 -4.873) 5.137 5.754 ( -1.218 1.871 -5.907) 6.315 7.532 ( 9.010 4.001 1.343) 9.950 7.617 ( 9.051 -4.195 -0.414) 9.985 7.734 ( -11.128 3.727 0.039) 11.735 7.822 ( -11.208 -4.786 -1.534) 12.283 9.309 ( 10.755 5.785 -8.000) 14.599 9.416 ( 10.578 -4.880 -9.880) 15.275 9.514 ( -10.321 5.226 -7.536) 13.807 9.613 ( -9.836 -4.824 -8.798) 14.050 10.395 ( 4.267 1.995 1.779) 5.035 10.430 ( 2.986 -0.431 0.599) 3.076 10.453 ( -0.053 -0.626 1.365) 1.503 10.482 ( -0.731 -2.408 0.233) 2.527 12.545 ( 6.862 6.982 8.688) 13.089 12.694 ( -2.166 -0.490 7.312) 7.642 12.711 ( -1.611 -2.746 6.702) 7.420 12.826 ( -6.994 -6.716 6.013) 11.409 13.699 ( 3.973 6.060 -3.211) 7.926 13.769 ( 2.549 0.447 -4.688) 5.355 13.786 ( -2.834 4.646 -3.041) 6.235 13.862 ( -4.854 -1.527 -4.645) 6.890 16.010 ( 3.650 -0.581 2.688) 4.570 16.038 ( 3.499 -3.413 1.705) 5.177 16.074 ( -2.592 -1.181 3.400) 4.435 16.102 ( -2.666 -3.909 2.437) 5.323 29.816 ( 2.356 5.074 1.426) 5.773 29.841 ( 0.557 3.635 0.929) 3.793 29.896 ( -1.251 -0.103 1.290) 1.800 29.909 ( -1.790 -0.337 1.065) 2.110 31.868 ( 0.971 5.136 -0.705) 5.274 31.880 ( -0.154 5.627 -0.925) 5.704 31.983 ( 0.660 -5.911 -0.546) 5.973 32.004 ( -1.351 -6.307 -0.939) 6.518 83.347 ( 2.918 3.878 2.006) 5.252 83.358 ( 2.145 3.766 1.912) 4.737 83.508 ( -2.044 -7.705 3.211) 8.594 83.521 ( -3.000 -7.933 3.093) 9.028 ======================= Grid point 300 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 0.000 12.305) 12.305 1.695 ( 0.000 0.000 14.836) 14.836 1.961 ( 0.000 0.000 -5.087) 5.087 2.156 ( 0.000 0.000 -8.032) 8.032 2.480 ( 0.000 0.000 7.284) 7.284 2.737 ( 0.000 0.000 -5.083) 5.083 2.836 ( 0.000 0.000 11.857) 11.857 2.996 ( 0.000 0.000 0.227) 0.227 3.883 ( 0.000 0.000 4.987) 4.987 4.039 ( 0.000 0.000 -1.351) 1.351 5.000 ( 0.000 0.000 11.639) 11.639 5.229 ( 0.000 0.000 0.931) 0.931 7.610 ( 0.000 0.000 3.306) 3.306 7.732 ( 0.000 0.000 -2.436) 2.436 7.822 ( 0.000 0.000 6.137) 6.137 7.975 ( 0.000 0.000 -3.566) 3.566 8.639 ( 0.000 0.000 1.644) 1.644 8.709 ( 0.000 0.000 -1.732) 1.732 8.806 ( 0.000 0.000 2.791) 2.791 8.874 ( 0.000 0.000 -3.278) 3.278 10.246 ( 0.000 0.000 -7.505) 7.505 10.367 ( 0.000 0.000 -11.685) 11.685 10.827 ( 0.000 0.000 11.768) 11.768 11.338 ( 0.000 0.000 -15.832) 15.832 12.191 ( 0.000 0.000 1.199) 1.199 12.229 ( 0.000 0.000 -0.629) 0.629 12.273 ( 0.000 0.000 1.299) 1.299 12.327 ( 0.000 0.000 -1.264) 1.264 13.054 ( 0.000 0.000 13.783) 13.783 13.194 ( 0.000 0.000 7.766) 7.766 13.273 ( 0.000 0.000 -0.973) 0.973 13.811 ( 0.000 0.000 -17.156) 17.156 16.954 ( 0.000 0.000 11.686) 11.686 17.191 ( 0.000 0.000 -2.494) 2.494 17.754 ( 0.000 0.000 1.315) 1.315 17.812 ( 0.000 0.000 -1.649) 1.649 28.588 ( 0.000 0.000 6.068) 6.068 28.596 ( 0.000 0.000 5.091) 5.091 28.864 ( 0.000 0.000 -4.762) 4.762 28.889 ( 0.000 0.000 -5.541) 5.541 31.573 ( 0.000 0.000 6.044) 6.044 31.754 ( 0.000 0.000 -2.694) 2.694 32.703 ( 0.000 0.000 -0.500) 0.500 32.711 ( 0.000 0.000 -1.259) 1.259 83.692 ( 0.000 0.000 10.096) 10.096 83.891 ( 0.000 0.000 1.936) 1.936 86.074 ( 0.000 0.000 30.880) 30.880 87.237 ( 0.000 0.000 -24.983) 24.983 ======================= Grid point 301 (98/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -4.735 0.000 9.818) 10.901 1.731 ( 3.743 0.000 13.254) 13.773 1.830 ( -11.958 0.000 -4.148) 12.657 2.091 ( -5.916 0.000 -3.345) 6.797 2.526 ( 4.068 0.000 3.457) 5.339 2.722 ( -1.593 0.000 -4.675) 4.939 2.903 ( 6.046 0.000 10.562) 12.170 3.052 ( 4.118 0.000 0.386) 4.136 3.893 ( 2.487 0.000 7.572) 7.970 4.091 ( 3.504 0.000 -1.054) 3.659 4.986 ( -0.951 0.000 10.345) 10.389 5.186 ( -4.315 0.000 1.151) 4.465 7.621 ( 1.119 0.000 2.836) 3.049 7.719 ( -1.259 0.000 -1.791) 2.189 7.849 ( 2.939 0.000 6.177) 6.840 8.006 ( 2.165 0.000 -2.125) 3.034 8.646 ( 0.752 0.000 1.226) 1.438 8.703 ( -0.630 0.000 -1.487) 1.615 8.752 ( -2.536 0.000 2.036) 3.252 8.903 ( 0.266 0.000 -5.917) 5.923 10.268 ( 3.374 0.000 -4.307) 5.471 10.482 ( 10.349 0.000 -12.242) 16.030 10.765 ( -5.720 0.000 10.129) 11.633 11.275 ( -6.811 0.000 -16.511) 17.861 12.195 ( 0.387 0.000 1.165) 1.228 12.226 ( -0.338 0.000 -0.131) 0.363 12.278 ( 0.505 0.000 0.731) 0.889 12.322 ( -0.541 0.000 -1.160) 1.280 13.038 ( -1.329 0.000 13.788) 13.851 13.112 ( -4.553 0.000 10.590) 11.527 13.397 ( 8.716 0.000 -4.114) 9.638 13.782 ( -3.028 0.000 -16.270) 16.550 17.031 ( 7.972 0.000 10.778) 13.406 17.248 ( 5.723 0.000 -2.116) 6.101 17.699 ( -5.953 0.000 0.601) 5.983 17.729 ( -8.175 0.000 0.339) 8.182 28.589 ( 0.073 0.000 5.979) 5.980 28.595 ( -0.088 0.000 5.190) 5.190 28.866 ( 0.251 0.000 -4.841) 4.848 28.886 ( -0.236 0.000 -5.471) 5.476 31.597 ( 2.327 0.000 4.740) 5.280 31.742 ( -1.269 0.000 -2.223) 2.559 32.702 ( -0.067 0.000 -0.485) 0.489 32.711 ( -0.083 0.000 -1.163) 1.166 83.705 ( 1.406 0.000 9.917) 10.016 83.865 ( -2.532 0.000 3.571) 4.377 86.165 ( 9.522 0.000 25.713) 27.420 87.100 ( -13.619 0.000 -18.729) 23.157 ======================= Grid point 302 (99/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 1.171 0.000 4.151) 4.313 1.599 ( -10.484 0.000 -1.194) 10.552 1.829 ( 6.381 0.000 9.066) 11.087 1.962 ( -7.318 0.000 3.320) 8.036 2.608 ( 4.195 0.000 -0.832) 4.277 2.677 ( -3.073 0.000 -3.362) 4.555 3.021 ( 5.517 0.000 7.017) 8.926 3.088 ( -1.018 0.000 2.725) 2.909 3.994 ( 7.216 0.000 8.263) 10.970 4.105 ( -2.984 0.000 3.467) 4.574 4.995 ( 2.673 0.000 6.126) 6.684 5.083 ( -5.871 0.000 2.375) 6.333 7.650 ( 1.870 0.000 1.540) 2.423 7.688 ( -1.956 0.000 -0.216) 1.968 7.928 ( 5.030 0.000 5.694) 7.598 8.009 ( -2.494 0.000 2.473) 3.512 8.665 ( 1.145 0.000 0.245) 1.171 8.686 ( -1.070 0.000 -0.780) 1.324 8.762 ( 3.757 0.000 -3.323) 5.016 8.857 ( -4.778 0.000 -7.496) 8.889 10.383 ( 8.357 0.000 1.777) 8.544 10.552 ( -7.759 0.000 5.044) 9.255 10.800 ( 13.850 0.000 -12.617) 18.735 11.079 ( -13.545 0.000 -16.663) 21.474 12.205 ( 0.618 0.000 1.015) 1.189 12.216 ( -0.597 0.000 0.613) 0.855 12.291 ( 0.860 0.000 -0.196) 0.882 12.308 ( -0.873 0.000 -0.826) 1.202 13.022 ( 0.042 0.000 14.170) 14.170 13.045 ( -2.429 0.000 13.642) 13.856 13.561 ( 8.261 0.000 -9.394) 12.510 13.697 ( -5.942 0.000 -13.631) 14.870 17.238 ( 13.238 0.000 8.126) 15.533 17.392 ( 8.922 0.000 -0.713) 8.950 17.502 ( -13.470 0.000 3.249) 13.856 17.568 ( -8.953 0.000 0.115) 8.953 28.591 ( 0.126 0.000 5.743) 5.744 28.593 ( -0.135 0.000 5.441) 5.443 28.873 ( 0.398 0.000 -5.044) 5.060 28.880 ( -0.388 0.000 -5.284) 5.298 31.651 ( 3.148 0.000 1.899) 3.676 31.706 ( -2.504 0.000 -0.696) 2.599 32.703 ( 0.182 0.000 -0.583) 0.610 32.708 ( -0.274 0.000 -0.888) 0.929 83.745 ( 2.769 0.000 8.999) 9.415 83.805 ( -3.452 0.000 6.723) 7.557 86.420 ( 16.903 0.000 12.619) 21.094 86.773 ( -19.394 0.000 -3.909) 19.783 ======================= Grid point 305 (100/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 5.114 11.156) 12.272 1.875 ( 0.000 10.532 8.788) 13.717 2.022 ( 0.000 11.432 0.457) 11.441 2.334 ( 0.000 15.761 -6.675) 17.116 2.599 ( 0.000 10.751 7.554) 13.140 2.859 ( 0.000 11.144 -5.122) 12.265 2.913 ( 0.000 8.512 9.977) 13.115 3.063 ( 0.000 8.307 -0.783) 8.344 3.906 ( 0.000 2.785 4.562) 5.345 4.045 ( 0.000 0.879 -0.954) 1.297 4.975 ( 0.000 -2.520 11.245) 11.524 5.202 ( 0.000 -2.732 0.680) 2.816 7.683 ( 0.000 3.436 3.526) 4.923 7.753 ( 0.000 1.015 -0.528) 1.144 7.868 ( 0.000 7.049 5.172) 8.743 8.036 ( 0.000 6.521 -3.944) 7.621 8.668 ( 0.000 2.504 3.429) 4.246 8.788 ( 0.000 7.485 -2.172) 7.794 8.812 ( 0.000 1.139 1.988) 2.291 8.926 ( 0.000 5.976 -5.873) 8.379 10.228 ( 0.000 -1.793 -6.903) 7.132 10.313 ( 0.000 -5.190 -9.646) 10.954 10.801 ( 0.000 -2.569 10.687) 10.991 11.237 ( 0.000 -9.189 -12.144) 15.229 12.211 ( 0.000 1.182 0.828) 1.443 12.272 ( 0.000 -1.742 -1.654) 2.402 12.311 ( 0.000 5.294 0.781) 5.351 12.361 ( 0.000 10.047 -2.477) 10.348 13.038 ( 0.000 -1.668 14.560) 14.656 13.276 ( 0.000 7.006 4.156) 8.146 13.297 ( 0.000 2.022 -0.474) 2.077 13.776 ( 0.000 -3.595 -16.089) 16.486 16.903 ( 0.000 -5.153 11.161) 12.293 17.132 ( 0.000 -5.962 -2.476) 6.456 17.677 ( 0.000 -7.781 1.056) 7.852 17.712 ( 0.000 -9.956 -0.589) 9.974 28.641 ( 0.000 5.365 5.800) 7.901 28.668 ( 0.000 7.072 4.018) 8.133 28.924 ( 0.000 5.993 -4.287) 7.368 28.947 ( 0.000 5.937 -5.260) 7.932 31.573 ( 0.000 -0.021 5.745) 5.745 31.745 ( 0.000 -0.924 -2.547) 2.709 32.681 ( 0.000 -2.301 -0.551) 2.366 32.685 ( 0.000 -2.650 -1.120) 2.877 83.666 ( 0.000 -2.623 9.442) 9.799 83.841 ( 0.000 -4.915 2.332) 5.440 85.940 ( 0.000 -13.291 28.962) 31.866 86.973 ( 0.000 -25.670 -19.647) 32.325 ======================= Grid point 306 (101/144) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -4.729 5.185 9.040) 11.444 1.817 ( -8.660 2.683 0.083) 9.067 1.987 ( 0.953 20.008 9.032) 21.972 2.293 ( -4.493 17.737 -2.822) 18.513 2.655 ( 4.937 11.834 3.700) 13.346 2.854 ( -0.761 12.061 -4.560) 12.917 2.959 ( 4.268 6.485 8.880) 11.795 3.098 ( 2.571 5.896 -0.365) 6.443 3.917 ( 2.613 2.870 7.123) 8.112 4.101 ( 3.820 1.280 -0.905) 4.129 4.960 ( -1.053 -2.632 10.017) 10.410 5.159 ( -4.326 -2.743 0.887) 5.199 7.702 ( 1.959 4.698 3.222) 6.024 7.764 ( 0.860 3.103 -0.175) 3.225 7.874 ( 0.788 4.509 5.396) 7.076 8.035 ( -0.675 3.559 -2.114) 4.194 8.664 ( 0.348 1.826 3.524) 3.984 8.779 ( -0.839 7.521 -1.602) 7.735 8.809 ( 0.301 5.365 -0.346) 5.385 8.940 ( 0.202 4.731 -7.879) 9.193 10.250 ( 3.439 -1.825 -4.023) 5.598 10.425 ( 10.335 -5.484 -10.619) 15.800 10.735 ( -6.370 -2.845 9.658) 11.914 11.173 ( -6.786 -9.317 -12.807) 17.230 12.217 ( 0.687 1.022 1.132) 1.672 12.280 ( 0.511 1.660 -1.288) 2.162 12.301 ( -0.647 3.083 0.808) 3.252 12.360 ( -0.353 9.110 -2.611) 9.483 13.032 ( -0.309 -0.776 14.339) 14.364 13.173 ( -5.234 5.175 6.419) 9.766 13.424 ( 7.613 2.414 -3.399) 8.680 13.752 ( -2.536 -3.143 -15.166) 15.695 16.976 ( 7.572 -5.537 10.319) 13.946 17.187 ( 5.560 -6.125 -2.156) 8.548 17.619 ( -6.771 -8.364 0.546) 10.775 17.639 ( -6.617 -8.642 1.054) 10.935 28.644 ( 0.227 5.505 5.661) 7.900 28.665 ( -0.303 6.879 4.232) 8.082 28.926 ( 0.243 5.987 -4.390) 7.428 28.945 ( -0.229 5.936 -5.171) 7.876 31.595 ( 2.185 -0.167 4.532) 5.034 31.733 ( -1.225 -0.883 -2.086) 2.575 32.679 ( -0.098 -2.371 -0.530) 2.432 32.686 ( -0.037 -2.564 -1.038) 2.767 83.678 ( 1.266 -2.747 9.288) 9.768 83.819 ( -2.194 -4.575 3.737) 6.301 86.023 ( 8.571 -14.176 24.372) 29.469 86.854 ( -11.931 -24.056 -14.386) 30.463 ======================= Grid point 307 (102/144) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.541 4.934 4.428) 6.652 1.624 ( -9.049 3.440 0.099) 9.682 2.061 ( 5.760 20.715 8.174) 23.002 2.182 ( -6.625 19.710 3.154) 21.031 2.749 ( 4.587 13.313 -0.898) 14.109 2.820 ( -2.823 13.383 -3.484) 14.114 3.051 ( 4.725 3.702 6.131) 8.580 3.114 ( -1.434 3.490 2.072) 4.305 4.017 ( 7.007 2.756 7.794) 10.837 4.122 ( -2.580 2.050 3.268) 4.641 4.968 ( 2.629 -2.830 5.864) 7.022 5.056 ( -5.914 -2.808 2.100) 6.875 7.745 ( 2.099 7.743 1.963) 8.259 7.771 ( -0.491 7.233 0.556) 7.271 7.912 ( 3.517 -1.176 5.679) 6.783 7.991 ( -3.933 -1.515 2.792) 5.055 8.701 ( 3.200 3.709 1.019) 5.004 8.754 ( -2.022 6.416 -0.424) 6.741 8.837 ( 2.809 7.466 -4.974) 9.401 8.906 ( -3.602 5.717 -8.908) 11.181 10.365 ( 8.397 -1.731 1.441) 8.694 10.535 ( -7.402 -1.591 4.148) 8.633 10.715 ( 12.696 -8.127 -9.848) 18.006 10.982 ( -13.066 -9.071 -13.336) 20.757 12.237 ( 1.423 1.964 1.479) 2.841 12.266 ( -1.502 4.151 1.182) 4.570 12.313 ( 1.496 2.363 -1.297) 3.083 12.343 ( -1.423 6.236 -2.123) 6.740 13.040 ( 1.418 1.529 12.833) 13.002 13.089 ( -3.596 3.903 9.948) 11.275 13.565 ( 7.016 0.138 -8.341) 10.901 13.680 ( -5.010 -1.847 -12.480) 13.575 17.172 ( 12.537 -6.607 7.846) 16.198 17.327 ( 8.778 -6.556 -1.222) 11.024 17.420 ( -12.846 -8.067 4.071) 15.706 17.497 ( -8.625 -7.144 0.042) 11.199 28.650 ( 0.397 5.889 5.274) 7.916 28.658 ( -0.442 6.410 4.736) 7.982 28.932 ( 0.380 5.967 -4.644) 7.571 28.939 ( -0.372 5.944 -4.938) 7.737 31.646 ( 2.982 -0.476 1.865) 3.550 31.699 ( -2.398 -0.740 -0.609) 2.582 32.679 ( 0.147 -2.421 -0.580) 2.494 32.683 ( -0.229 -2.489 -0.823) 2.631 83.713 ( 2.466 -3.149 8.481) 9.377 83.767 ( -3.030 -3.832 6.478) 8.113 86.252 ( 15.132 -16.692 12.763) 25.893 86.566 ( -17.179 -20.384 -1.703) 26.712 ======================= Grid point 310 (103/144) ======================= q-point: ( 0.00 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 9.854 8.442) 12.976 1.983 ( 0.000 4.790 0.709) 4.842 2.349 ( 0.000 13.629 9.023) 16.345 2.602 ( 0.000 8.350 -3.191) 8.939 2.875 ( 0.000 17.036 7.415) 18.580 3.144 ( 0.000 17.740 -5.512) 18.576 3.175 ( 0.000 18.275 6.486) 19.392 3.359 ( 0.000 21.438 -4.469) 21.898 4.028 ( 0.000 10.984 3.041) 11.397 4.094 ( 0.000 4.988 0.940) 5.076 4.906 ( 0.000 -4.283 9.699) 10.603 5.123 ( 0.000 -5.330 -0.139) 5.332 7.676 ( 0.000 -2.717 4.729) 5.454 7.746 ( 0.000 -1.580 0.723) 1.738 8.053 ( 0.000 7.470 5.078) 9.032 8.189 ( 0.000 7.076 -1.907) 7.329 8.741 ( 0.000 5.807 2.285) 6.240 8.851 ( 0.000 3.695 -1.415) 3.957 8.994 ( 0.000 12.575 -1.458) 12.659 9.117 ( 0.000 13.078 -8.099) 15.383 10.185 ( 0.000 -2.211 -5.509) 5.936 10.198 ( 0.000 -5.458 -5.900) 8.037 10.737 ( 0.000 -3.721 7.772) 8.617 11.026 ( 0.000 -11.574 -6.548) 13.298 12.261 ( 0.000 5.065 -1.281) 5.224 12.267 ( 0.000 2.372 -0.439) 2.412 12.483 ( 0.000 11.692 1.471) 11.784 12.618 ( 0.000 14.546 -5.987) 15.730 12.997 ( 0.000 -1.981 13.347) 13.494 13.330 ( 0.000 1.042 -0.257) 1.073 13.406 ( 0.000 5.418 -0.124) 5.419 13.674 ( 0.000 -6.698 -12.955) 14.584 16.761 ( 0.000 -9.096 9.705) 13.302 16.967 ( 0.000 -10.718 -2.368) 10.976 17.447 ( 0.000 -16.538 1.616) 16.617 17.463 ( 0.000 -13.775 0.430) 13.781 28.789 ( 0.000 9.528 5.157) 10.834 28.852 ( 0.000 11.292 1.765) 11.429 29.088 ( 0.000 10.503 -3.105) 10.952 29.112 ( 0.000 10.669 -4.446) 11.558 31.574 ( 0.000 0.248 4.901) 4.907 31.722 ( 0.000 -1.330 -2.175) 2.549 32.611 ( 0.000 -4.879 -0.758) 4.938 32.616 ( 0.000 -4.287 -0.697) 4.343 83.595 ( 0.000 -4.483 7.736) 8.941 83.713 ( 0.000 -7.778 3.118) 8.380 85.584 ( 0.000 -22.385 23.960) 32.790 86.321 ( 0.000 -38.880 -9.076) 39.925 ======================= Grid point 311 (104/144) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -4.510 9.950 7.053) 13.003 1.898 ( -8.133 5.910 -0.295) 10.058 2.378 ( 3.473 15.223 10.327) 18.721 2.616 ( -0.331 11.269 -0.759) 11.299 2.930 ( 5.314 14.980 4.561) 16.536 3.139 ( -0.658 16.570 -4.705) 17.237 3.184 ( 1.215 17.725 5.990) 18.749 3.353 ( -1.025 20.529 -4.039) 20.948 4.036 ( 2.582 10.275 5.596) 11.982 4.163 ( 4.772 6.105 -0.150) 7.750 4.887 ( -1.463 -4.608 8.703) 9.956 5.080 ( -4.388 -5.365 0.046) 6.931 7.707 ( 3.381 -2.700 5.144) 6.722 7.787 ( 3.900 -0.941 0.898) 4.111 8.012 ( -3.819 5.372 4.983) 8.263 8.140 ( -5.369 5.878 -0.850) 8.006 8.737 ( 1.908 6.019 3.502) 7.220 8.932 ( 5.714 7.398 -4.428) 10.343 8.974 ( -2.039 11.716 -0.897) 11.926 9.119 ( -0.121 13.119 -9.397) 16.138 10.205 ( 3.665 -2.375 -3.514) 5.605 10.299 ( 9.020 -6.397 -6.701) 12.930 10.669 ( -6.810 -3.555 7.142) 10.489 10.961 ( -6.850 -11.488 -7.072) 15.130 12.244 ( 0.612 3.168 1.490) 3.554 12.331 ( 4.298 5.429 -2.407) 7.331 12.450 ( -3.148 10.254 2.086) 10.927 12.593 ( -2.795 13.050 -5.309) 14.363 13.018 ( 2.309 0.033 11.572) 11.800 13.265 ( -4.794 3.679 1.782) 6.300 13.469 ( 4.485 1.646 -2.757) 5.516 13.661 ( -1.409 -6.107 -12.077) 13.606 16.825 ( 6.505 -9.731 9.042) 14.791 17.017 ( 5.079 -11.019 -2.173) 12.326 17.377 ( -6.890 -15.561 2.483) 17.198 17.421 ( -4.546 -13.562 0.393) 14.309 28.795 ( 0.564 9.706 4.912) 10.893 28.846 ( -0.682 11.142 2.194) 11.376 29.090 ( 0.223 10.482 -3.261) 10.980 29.110 ( -0.268 10.620 -4.324) 11.469 31.593 ( 1.818 0.018 3.918) 4.319 31.711 ( -1.088 -1.241 -1.754) 2.408 32.610 ( -0.066 -4.691 -0.610) 4.731 32.616 ( -0.036 -4.457 -0.762) 4.522 83.604 ( 0.940 -4.649 7.647) 8.998 83.699 ( -1.362 -7.278 3.995) 8.413 85.644 ( 6.259 -23.691 20.713) 32.085 86.239 ( -8.278 -36.913 -5.766) 38.266 ======================= Grid point 312 (105/144) ======================= q-point: ( 0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.212 9.921 4.056) 10.720 1.741 ( -6.811 8.402 1.043) 10.866 2.468 ( 5.507 16.494 8.637) 19.416 2.567 ( -4.446 15.286 4.346) 16.502 3.037 ( 5.063 13.230 0.307) 14.170 3.109 ( -2.632 13.760 -2.486) 14.228 3.234 ( 3.903 18.251 2.885) 18.886 3.310 ( -3.536 18.964 -1.541) 19.352 4.127 ( 5.978 9.362 6.149) 12.696 4.207 ( -1.176 7.608 2.654) 8.143 4.887 ( 2.358 -5.361 4.886) 7.627 4.975 ( -6.040 -5.490 1.195) 8.249 7.801 ( 6.278 -2.642 5.606) 8.821 7.877 ( 4.915 -0.415 2.212) 5.406 7.925 ( -4.855 2.779 4.230) 7.013 8.008 ( -7.576 4.422 1.182) 8.851 8.817 ( 5.558 8.021 1.874) 9.937 8.914 ( -4.266 9.800 0.265) 10.692 9.029 ( 4.384 11.548 -7.808) 14.613 9.096 ( -2.508 13.075 -10.069) 16.693 10.322 ( 8.388 -2.424 0.498) 8.746 10.501 ( -7.889 -1.713 2.884) 8.572 10.523 ( 11.546 -10.224 -5.770) 16.466 10.776 ( -12.321 -10.805 -7.816) 18.156 12.286 ( 3.616 4.095 3.220) 6.342 12.367 ( -4.203 6.704 2.983) 8.456 12.426 ( 4.485 8.170 -2.943) 9.774 12.518 ( -4.767 10.484 -3.905) 12.161 13.082 ( 4.272 3.099 7.685) 9.322 13.171 ( -4.991 4.300 4.287) 7.860 13.552 ( 4.163 -1.770 -6.285) 7.744 13.620 ( -2.909 -4.423 -9.665) 11.020 16.992 ( 10.623 -11.508 7.057) 17.178 17.142 ( 6.669 -12.274 -2.040) 14.117 17.208 ( -9.503 -13.116 5.434) 17.084 17.301 ( -7.698 -12.567 -0.130) 14.738 28.809 ( 0.961 10.167 4.208) 11.045 28.829 ( -1.033 10.721 3.185) 11.231 29.096 ( 0.372 10.469 -3.624) 11.085 29.103 ( -0.399 10.523 -4.017) 11.271 31.636 ( 2.536 -0.488 1.702) 3.093 31.681 ( -2.090 -0.959 -0.432) 2.340 32.610 ( 0.124 -4.578 -0.559) 4.614 32.614 ( -0.186 -4.541 -0.681) 4.595 83.629 ( 1.742 -5.205 7.114) 8.986 83.666 ( -2.001 -6.187 5.770) 8.694 85.811 ( 10.966 -27.285 12.506) 31.954 86.037 ( -12.201 -32.260 2.542) 34.584 ======================= Grid point 315 (106/144) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 13.268 5.171) 14.241 2.096 ( 0.000 6.575 2.074) 6.895 2.511 ( 0.000 5.062 7.841) 9.333 2.675 ( 0.000 0.810 -1.696) 1.879 3.100 ( 0.000 4.355 6.140) 7.528 3.392 ( 0.000 5.332 -7.360) 9.088 3.658 ( 0.000 29.599 5.005) 30.019 3.883 ( 0.000 30.826 -6.110) 31.426 4.256 ( 0.000 9.939 6.237) 11.734 4.351 ( 0.000 21.238 0.882) 21.257 4.837 ( 0.000 -1.053 4.860) 4.973 4.997 ( 0.000 -7.359 -1.619) 7.535 7.607 ( 0.000 -4.047 4.542) 6.083 7.702 ( 0.000 -2.808 0.411) 2.838 8.090 ( 0.000 -2.711 8.058) 8.502 8.260 ( 0.000 0.265 -0.359) 0.446 8.876 ( 0.000 6.358 -1.743) 6.593 8.937 ( 0.000 4.077 -3.864) 5.617 9.258 ( 0.000 13.754 -0.056) 13.754 9.401 ( 0.000 15.203 -7.263) 16.849 10.133 ( 0.000 -0.999 -3.738) 3.869 10.157 ( 0.000 -0.471 -3.793) 3.822 10.666 ( 0.000 -3.328 3.830) 5.074 10.808 ( 0.000 -10.454 -2.381) 10.722 12.364 ( 0.000 6.996 1.919) 7.254 12.424 ( 0.000 11.533 -2.719) 11.849 12.744 ( 0.000 14.567 1.665) 14.662 12.822 ( 0.000 2.457 3.788) 4.515 13.051 ( 0.000 11.263 -0.443) 11.271 13.328 ( 0.000 -1.403 -1.967) 2.416 13.478 ( 0.000 2.152 -2.898) 3.610 13.528 ( 0.000 -7.654 -7.190) 10.501 16.562 ( 0.000 -11.027 7.650) 13.421 16.729 ( 0.000 -13.269 -2.066) 13.429 17.099 ( 0.000 -18.460 3.338) 18.759 17.160 ( 0.000 -16.830 -0.172) 16.831 29.001 ( 0.000 11.924 4.457) 12.730 29.090 ( 0.000 12.735 -0.035) 12.735 29.316 ( 0.000 12.496 -1.745) 12.618 29.345 ( 0.000 12.719 -3.363) 13.156 31.586 ( 0.000 0.989 3.663) 3.794 31.698 ( 0.000 -0.944 -1.720) 1.962 32.500 ( 0.000 -6.405 -0.299) 6.412 32.517 ( 0.000 -5.733 -0.914) 5.805 83.499 ( 0.000 -5.158 5.590) 7.606 83.556 ( 0.000 -7.914 3.530) 8.666 85.107 ( 0.000 -25.648 17.561) 31.084 85.542 ( 0.000 -39.492 -0.968) 39.504 ======================= Grid point 316 (107/144) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -4.416 12.570 4.816) 14.167 2.044 ( -5.309 9.085 0.796) 10.552 2.552 ( 4.364 4.794 8.877) 10.993 2.718 ( 2.503 1.217 -0.609) 2.849 3.128 ( 3.089 4.108 5.610) 7.608 3.371 ( -2.194 6.026 -5.204) 8.259 3.682 ( 2.381 29.858 3.553) 30.162 3.865 ( -1.971 30.343 -5.630) 30.924 4.288 ( 3.576 11.828 6.319) 13.879 4.394 ( 3.813 18.698 0.510) 19.090 4.807 ( -2.659 -1.777 4.279) 5.342 4.954 ( -4.346 -7.116 -1.584) 8.487 7.636 ( 3.150 -4.156 5.150) 7.329 7.745 ( 4.088 -3.014 0.610) 5.116 8.026 ( -5.524 -2.854 7.193) 9.508 8.205 ( -5.997 0.326 -1.024) 6.093 8.867 ( 3.107 5.941 2.264) 7.076 9.076 ( 9.590 6.193 -7.364) 13.585 9.214 ( -4.142 12.233 0.823) 12.942 9.404 ( -0.443 14.880 -8.750) 17.268 10.171 ( 4.031 -0.971 -2.745) 4.973 10.216 ( 6.128 -1.534 -3.549) 7.246 10.609 ( -5.749 -2.479 3.278) 7.067 10.753 ( -5.660 -9.333 -2.903) 11.295 12.353 ( 0.422 7.428 3.579) 8.255 12.491 ( 5.459 10.748 -3.573) 12.573 12.659 ( -7.068 9.213 4.762) 12.550 12.809 ( -2.613 8.743 -0.893) 9.169 13.093 ( 4.059 9.297 0.662) 10.166 13.309 ( -1.958 0.807 -1.442) 2.562 13.482 ( 0.483 0.019 -3.325) 3.360 13.524 ( -0.422 -7.376 -7.071) 10.226 16.612 ( 5.171 -11.661 7.223) 14.659 16.773 ( 4.397 -13.596 -1.963) 14.423 17.047 ( -5.183 -17.592 3.884) 18.746 17.124 ( -3.760 -16.452 -0.213) 16.877 29.010 ( 0.883 12.064 4.132) 12.783 29.082 ( -0.835 12.752 0.515) 12.790 29.317 ( 0.156 12.426 -1.949) 12.579 29.341 ( -0.407 12.627 -3.222) 13.038 31.599 ( 1.357 0.747 2.956) 3.338 31.690 ( -0.852 -0.807 -1.375) 1.808 32.501 ( 0.115 -6.322 -0.319) 6.331 32.515 ( -0.195 -5.812 -0.837) 5.875 83.505 ( 0.629 -5.264 5.575) 7.693 83.552 ( -0.434 -7.463 3.891) 8.427 85.142 ( 3.645 -26.884 15.701) 31.346 85.494 ( -4.870 -38.027 0.765) 38.345 ======================= Grid point 317 (108/144) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -0.686 12.695 3.281) 13.130 1.940 ( -4.524 11.698 1.449) 12.626 2.649 ( 5.083 3.991 7.360) 9.795 2.722 ( -2.164 2.556 3.337) 4.728 3.214 ( 5.454 4.519 2.879) 7.645 3.310 ( -4.311 5.912 -1.107) 7.400 3.740 ( 3.617 30.099 0.420) 30.318 3.811 ( -3.558 29.941 -3.217) 30.323 4.381 ( 5.468 14.380 5.124) 16.215 4.445 ( -0.015 16.701 2.269) 16.855 4.775 ( 0.796 -4.707 1.554) 5.021 4.850 ( -5.912 -6.409 -1.100) 8.788 7.722 ( 5.617 -4.713 6.207) 9.607 7.808 ( -0.606 -4.716 4.456) 6.517 7.949 ( 0.799 -1.024 2.301) 2.642 8.061 ( -8.166 0.165 -0.786) 8.206 8.977 ( 7.346 7.266 3.303) 10.847 9.112 ( -6.495 9.532 2.229) 11.748 9.246 ( 7.841 9.407 -9.675) 15.607 9.362 ( -4.231 12.765 -10.281) 16.928 10.282 ( 7.344 -1.418 -0.106) 7.480 10.361 ( 6.091 -5.200 -1.187) 8.096 10.484 ( -4.280 -0.035 -0.596) 4.321 10.604 ( -9.623 -6.190 -3.981) 12.115 12.399 ( 4.486 6.913 5.842) 10.102 12.515 ( -7.330 7.269 6.446) 12.171 12.608 ( 6.400 10.542 -4.475) 13.119 12.726 ( -5.753 10.717 -3.653) 12.700 13.180 ( 4.596 7.191 0.688) 8.562 13.257 ( -3.485 4.580 -0.252) 5.760 13.495 ( 0.856 -3.710 -4.716) 6.061 13.512 ( -0.824 -6.265 -6.272) 8.903 16.744 ( 8.231 -13.429 5.920) 16.826 16.869 ( 2.003 -14.992 -0.838) 15.149 16.930 ( -3.414 -15.015 4.461) 16.031 17.024 ( -6.436 -15.403 -0.325) 16.697 29.032 ( 1.429 12.391 3.192) 12.875 29.060 ( -1.405 12.673 1.823) 12.880 29.323 ( 0.393 12.355 -2.410) 12.593 29.332 ( -0.542 12.445 -2.874) 12.784 31.632 ( 1.930 0.180 1.322) 2.347 31.666 ( -1.621 -0.407 -0.318) 1.701 32.504 ( 0.263 -6.152 -0.428) 6.172 32.510 ( -0.312 -5.976 -0.639) 6.018 83.521 ( 0.992 -5.673 5.343) 7.856 83.539 ( -0.874 -6.494 4.690) 8.058 85.240 ( 6.501 -30.162 10.961) 32.744 85.374 ( -7.252 -34.384 5.290) 35.536 ======================= Grid point 320 (109/144) ======================= q-point: ( 0.00 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 6.419 4.409) 7.788 2.294 ( 0.000 14.969 1.696) 15.065 2.600 ( 0.000 4.806 4.360) 6.489 2.670 ( 0.000 -0.884 -1.302) 1.574 3.099 ( 0.000 -3.066 4.246) 5.237 3.382 ( 0.000 -5.029 -8.335) 9.734 4.190 ( 0.000 20.872 5.378) 21.554 4.312 ( 0.000 -3.939 9.572) 10.351 4.497 ( 0.000 29.013 -3.161) 29.185 4.795 ( 0.000 22.930 -0.252) 22.931 4.874 ( 0.000 -2.566 -4.683) 5.339 4.967 ( 0.000 14.354 -2.842) 14.633 7.527 ( 0.000 -4.022 4.247) 5.849 7.641 ( 0.000 -3.367 -0.515) 3.406 8.006 ( 0.000 -4.717 7.798) 9.114 8.225 ( 0.000 -3.206 -0.853) 3.318 8.952 ( 0.000 1.568 -2.822) 3.228 8.988 ( 0.000 1.281 -5.524) 5.670 9.493 ( 0.000 9.580 2.267) 9.844 9.678 ( 0.000 12.412 -6.277) 13.909 10.134 ( 0.000 0.065 -2.100) 2.101 10.169 ( 0.000 1.634 -2.608) 3.077 10.609 ( 0.000 -2.583 0.626) 2.658 10.636 ( 0.000 -6.835 -0.137) 6.836 12.497 ( 0.000 5.162 7.251) 8.901 12.685 ( 0.000 14.271 -3.961) 14.811 12.818 ( 0.000 0.553 5.903) 5.929 13.002 ( 0.000 8.822 -1.376) 8.928 13.284 ( 0.000 -0.862 -3.048) 3.167 13.338 ( 0.000 15.375 -6.904) 16.854 13.419 ( 0.000 -2.406 1.269) 2.720 13.507 ( 0.000 1.492 -4.524) 4.764 16.346 ( 0.000 -10.798 5.461) 12.101 16.468 ( 0.000 -13.175 -1.561) 13.267 16.754 ( 0.000 -16.349 3.854) 16.797 16.829 ( 0.000 -16.621 -0.300) 16.624 29.241 ( 0.000 12.443 3.833) 13.020 29.337 ( 0.000 12.348 -0.819) 12.375 29.557 ( 0.000 11.820 -0.603) 11.836 29.587 ( 0.000 11.690 -2.223) 11.900 31.616 ( 0.000 2.192 2.237) 3.132 31.690 ( 0.000 0.189 -1.280) 1.294 32.367 ( 0.000 -7.139 0.125) 7.140 32.396 ( 0.000 -6.555 -1.153) 6.655 83.402 ( 0.000 -4.605 3.637) 5.868 83.418 ( 0.000 -5.974 3.171) 6.763 84.616 ( 0.000 -24.084 11.363) 26.630 84.826 ( 0.000 -33.394 2.784) 33.510 ======================= Grid point 321 (110/144) ======================= q-point: ( 0.20 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -2.986 9.754 4.106) 10.996 2.265 ( -3.511 13.604 0.477) 14.058 2.624 ( 3.031 3.473 5.412) 7.109 2.714 ( 2.691 -0.934 -0.885) 2.982 3.129 ( 3.434 -2.804 4.504) 6.320 3.382 ( -0.565 -3.805 -6.323) 7.401 4.213 ( 2.256 19.978 4.347) 20.569 4.319 ( 0.519 -2.396 6.815) 7.243 4.493 ( 0.204 26.304 -0.919) 26.321 4.802 ( -3.355 9.645 4.021) 10.975 4.829 ( -0.272 11.784 -8.493) 14.528 4.962 ( -0.919 14.119 -3.573) 14.593 7.554 ( 2.921 -4.050 4.780) 6.913 7.679 ( 3.570 -3.532 -0.159) 5.025 7.946 ( -5.017 -4.457 6.893) 9.620 8.170 ( -5.874 -3.243 -2.106) 7.033 8.943 ( 3.793 2.077 1.268) 4.507 9.147 ( 11.028 1.173 -8.243) 13.818 9.417 ( -6.927 7.971 2.908) 10.953 9.657 ( -3.184 10.052 -8.455) 13.516 10.168 ( 4.329 0.728 -0.040) 4.390 10.231 ( 5.383 2.392 -2.765) 6.507 10.572 ( -3.679 -1.554 0.427) 4.017 10.611 ( -2.721 -5.104 -0.841) 5.845 12.493 ( 0.194 5.650 7.901) 9.715 12.729 ( 3.685 12.529 -4.932) 13.960 12.752 ( -5.618 2.741 7.448) 9.724 12.991 ( -1.797 7.708 -3.116) 8.506 13.296 ( 1.207 0.746 -2.571) 2.936 13.340 ( 0.277 11.916 -4.293) 12.669 13.418 ( -0.116 -1.659 -0.774) 1.834 13.491 ( -1.616 1.525 -4.676) 5.177 16.386 ( 4.099 -11.189 5.269) 13.029 16.506 ( 3.839 -13.382 -1.465) 13.999 16.717 ( -3.754 -15.754 4.094) 16.705 16.801 ( -2.984 -16.248 -0.340) 16.524 29.252 ( 1.104 12.537 3.497) 13.062 29.331 ( -0.691 12.504 -0.278) 12.526 29.556 ( -0.028 11.672 -0.811) 11.700 29.582 ( -0.578 11.601 -2.098) 11.803 31.625 ( 0.911 1.981 1.795) 2.824 31.685 ( -0.533 0.364 -1.042) 1.226 32.369 ( 0.240 -7.092 0.019) 7.096 32.393 ( -0.336 -6.626 -1.018) 6.712 83.407 ( 0.517 -4.578 3.677) 5.894 83.422 ( 0.285 -5.663 3.219) 6.520 84.630 ( 1.462 -25.030 10.517) 27.189 84.800 ( -2.600 -32.551 3.563) 32.848 ======================= Grid point 322 (111/144) ======================= q-point: ( 0.40 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.180 12.634 2.806) 12.943 2.189 ( -3.550 13.696 1.123) 14.193 2.690 ( 3.279 1.200 4.195) 5.458 2.732 ( -0.869 -0.623 1.352) 1.724 3.228 ( 6.451 -2.182 3.075) 7.472 3.338 ( -4.345 -2.206 -1.270) 5.036 4.265 ( 2.967 17.214 2.241) 17.611 4.313 ( -1.626 8.721 1.841) 9.060 4.539 ( 5.251 12.844 2.357) 14.074 4.673 ( -7.900 3.457 1.215) 8.709 4.874 ( 3.012 19.010 -4.537) 19.775 4.928 ( -2.527 16.329 -4.261) 17.064 7.633 ( 5.090 -4.221 5.782) 8.784 7.718 ( -2.029 -4.153 4.374) 6.364 7.899 ( 2.872 -3.652 0.938) 4.739 8.026 ( -8.424 -3.232 -2.305) 9.313 9.077 ( 9.206 3.073 3.514) 10.322 9.256 ( -9.007 5.042 3.152) 10.792 9.363 ( 10.603 2.566 -9.476) 14.450 9.546 ( -8.199 5.489 -10.119) 14.134 10.280 ( 6.376 1.617 1.357) 6.716 10.331 ( 3.177 1.409 -0.417) 3.501 10.496 ( -2.649 0.912 -1.493) 3.175 10.536 ( -4.733 -1.328 -2.393) 5.467 12.525 ( 3.469 5.348 8.808) 10.873 12.623 ( -6.577 4.252 8.363) 11.458 12.825 ( 5.507 10.673 -5.171) 13.076 12.926 ( -4.803 8.636 -5.089) 11.115 13.325 ( 1.579 2.481 -1.071) 3.130 13.344 ( -0.235 5.915 -0.656) 5.956 13.422 ( 0.850 0.255 -4.451) 4.539 13.453 ( -2.167 1.550 -5.093) 5.748 16.489 ( 6.329 -12.320 4.677) 14.619 16.586 ( 0.981 -13.529 0.122) 13.565 16.636 ( -1.292 -14.789 3.310) 15.210 16.720 ( -5.282 -15.344 -0.382) 16.232 29.280 ( 1.675 12.714 2.517) 13.069 29.310 ( -1.430 12.732 1.071) 12.857 29.558 ( 0.329 11.442 -1.305) 11.521 29.569 ( -0.693 11.440 -1.780) 11.598 31.647 ( 1.285 1.452 0.753) 2.080 31.670 ( -1.052 0.836 -0.327) 1.383 32.376 ( 0.442 -6.965 -0.277) 6.985 32.385 ( -0.502 -6.792 -0.675) 6.844 83.418 ( 0.558 -4.636 3.633) 5.917 83.425 ( -0.060 -5.043 3.415) 6.091 84.672 ( 2.979 -27.449 8.313) 28.834 84.737 ( -3.685 -30.314 5.648) 31.055 ======================= Grid point 325 (112/144) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.000 4.368 5.055) 6.681 2.568 ( 0.000 9.440 -5.037) 10.700 2.674 ( 0.000 4.915 2.437) 5.486 2.717 ( 0.000 7.171 1.975) 7.438 3.017 ( 0.000 -4.582 1.333) 4.772 3.233 ( 0.000 -9.625 -8.387) 12.767 4.132 ( 0.000 -12.256 10.535) 16.161 4.297 ( 0.000 -8.038 3.236) 8.665 5.023 ( 0.000 23.881 -4.770) 24.352 5.039 ( 0.000 17.454 -2.988) 17.708 5.208 ( 0.000 18.667 -2.587) 18.846 5.283 ( 0.000 15.831 -3.976) 16.323 7.457 ( 0.000 -2.948 4.532) 5.407 7.573 ( 0.000 -3.523 -1.143) 3.704 7.934 ( 0.000 -2.355 3.853) 4.516 8.152 ( 0.000 -4.095 -2.246) 4.670 8.959 ( 0.000 -0.322 -2.187) 2.211 9.000 ( 0.000 0.217 -6.391) 6.394 9.618 ( 0.000 3.471 2.813) 4.468 9.843 ( 0.000 3.267 -7.801) 8.457 10.138 ( 0.000 1.642 1.764) 2.410 10.214 ( 0.000 2.687 -1.952) 3.321 10.543 ( 0.000 -3.070 0.200) 3.077 10.561 ( 0.000 -2.514 -0.367) 2.540 12.533 ( 0.000 -0.569 10.773) 10.788 12.887 ( 0.000 5.618 3.829) 6.799 12.913 ( 0.000 4.255 -7.486) 8.611 13.001 ( 0.000 -1.645 -2.489) 2.984 13.369 ( 0.000 4.804 4.061) 6.291 13.483 ( 0.000 10.374 1.946) 10.555 13.525 ( 0.000 2.686 -4.703) 5.416 13.631 ( 0.000 11.949 -6.678) 13.688 16.153 ( 0.000 -8.754 3.543) 9.444 16.230 ( 0.000 -10.876 -0.959) 10.919 16.477 ( 0.000 -11.979 3.468) 12.470 16.532 ( 0.000 -13.488 0.268) 13.490 29.474 ( 0.000 11.190 3.190) 11.636 29.560 ( 0.000 10.354 -0.897) 10.393 29.763 ( 0.000 9.089 0.176) 9.091 29.787 ( 0.000 8.559 -1.055) 8.623 31.672 ( 0.000 3.612 0.855) 3.711 31.709 ( 0.000 1.769 -0.864) 1.969 32.226 ( 0.000 -7.152 0.419) 7.164 32.265 ( 0.000 -6.815 -1.347) 6.947 83.326 ( 0.000 -2.987 2.288) 3.762 83.330 ( 0.000 -3.029 2.228) 3.760 84.187 ( 0.000 -19.689 6.367) 20.693 84.256 ( 0.000 -24.991 3.650) 25.256 ======================= Grid point 326 (113/144) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 1.139 6.568 4.428) 8.003 2.531 ( -3.407 12.078 -3.019) 12.908 2.693 ( 1.508 1.388 0.763) 2.187 2.722 ( 0.308 5.572 1.187) 5.705 3.051 ( 3.953 -4.441 2.315) 6.380 3.260 ( 1.878 -7.825 -6.563) 10.384 4.127 ( 0.000 -13.005 9.123) 15.886 4.282 ( -1.748 -9.728 2.599) 10.219 5.010 ( -1.115 23.935 -4.041) 24.299 5.020 ( -1.663 19.063 -2.629) 19.315 5.221 ( 1.258 18.321 -3.020) 18.611 5.281 ( -0.246 15.969 -4.035) 16.473 7.486 ( 3.022 -2.797 4.745) 6.282 7.611 ( 3.674 -3.373 -1.137) 5.115 7.875 ( -5.143 -2.552 4.201) 7.114 8.095 ( -5.961 -4.297 -3.294) 8.053 8.968 ( 4.447 0.922 0.340) 4.555 9.141 ( 10.600 -1.242 -8.063) 13.376 9.521 ( -8.807 3.021 2.706) 9.697 9.762 ( -7.805 0.708 -8.600) 11.635 10.208 ( 6.624 3.428 2.323) 7.812 10.287 ( 5.909 2.873 -1.799) 6.812 10.535 ( -1.106 -2.162 -0.029) 2.428 10.551 ( -0.937 -1.777 -0.630) 2.105 12.545 ( 1.454 0.370 10.788) 10.892 12.826 ( -5.695 4.967 5.468) 9.327 12.927 ( 1.378 3.327 -7.129) 7.987 13.004 ( -0.013 -1.369 -3.380) 3.647 13.376 ( 0.646 5.048 3.397) 6.119 13.464 ( -1.777 9.586 2.051) 9.963 13.524 ( 0.056 3.623 -5.060) 6.223 13.613 ( -1.803 11.024 -6.628) 12.989 16.188 ( 3.559 -8.898 3.535) 10.214 16.266 ( 3.530 -11.001 -0.812) 11.582 16.449 ( -2.848 -11.583 3.522) 12.437 16.510 ( -2.303 -13.160 0.167) 13.361 29.487 ( 1.245 11.255 2.911) 11.692 29.558 ( -0.296 10.636 -0.454) 10.650 29.759 ( -0.386 8.841 0.019) 8.849 29.779 ( -0.741 8.466 -0.989) 8.556 31.678 ( 0.543 3.458 0.643) 3.558 31.707 ( -0.161 1.965 -0.746) 2.108 32.229 ( 0.292 -7.155 0.253) 7.166 32.261 ( -0.468 -6.880 -1.176) 6.996 83.334 ( 0.755 -2.703 2.302) 3.630 83.338 ( 0.733 -2.862 2.213) 3.691 84.185 ( -0.127 -20.372 6.111) 21.270 84.241 ( -1.441 -24.682 3.896) 25.029 ======================= Grid point 327 (114/144) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 3.249 10.604 2.695) 11.414 2.456 ( -4.254 13.114 0.046) 13.787 2.714 ( 0.647 -0.475 -0.574) 0.987 2.722 ( -0.280 2.032 -0.027) 2.052 3.160 ( 6.628 -4.031 2.294) 8.090 3.258 ( -2.843 -5.062 -1.598) 6.021 4.154 ( 3.028 -14.109 5.094) 15.303 4.227 ( -3.958 -12.867 2.324) 13.661 4.991 ( -0.673 23.659 -2.817) 23.836 4.992 ( -0.916 22.058 -2.228) 22.189 5.248 ( 1.420 17.481 -3.652) 17.915 5.271 ( -0.899 16.560 -3.994) 17.059 7.567 ( 5.281 -2.370 4.914) 7.593 7.656 ( -1.980 -2.116 2.457) 3.799 7.821 ( 2.703 -4.174 0.381) 4.987 7.949 ( -8.518 -4.419 -3.119) 10.090 9.115 ( 10.218 1.389 2.052) 10.515 9.318 ( -8.090 1.662 0.560) 8.278 9.366 ( 8.787 -1.438 -7.319) 11.526 9.580 ( -10.973 -1.323 -9.207) 14.385 10.338 ( 5.945 3.616 2.068) 7.259 10.382 ( 2.540 3.015 0.110) 3.944 10.505 ( -1.105 -0.187 -1.061) 1.543 10.524 ( -1.952 -0.411 -1.615) 2.566 12.597 ( 4.205 2.327 10.292) 11.359 12.702 ( -6.660 4.013 8.430) 11.469 12.960 ( 1.943 1.056 -6.442) 6.811 12.992 ( -1.298 -0.720 -5.028) 5.242 13.393 ( 1.247 5.977 2.610) 6.640 13.425 ( -2.087 7.745 2.280) 8.339 13.536 ( 1.326 5.995 -5.807) 8.451 13.572 ( -2.281 8.740 -6.379) 11.058 16.275 ( 5.272 -9.434 3.509) 11.363 16.350 ( 4.372 -10.933 -0.423) 11.783 16.376 ( -4.059 -11.136 3.533) 12.368 16.446 ( -4.403 -12.420 -0.060) 13.177 29.517 ( 1.747 11.349 2.066) 11.667 29.545 ( -1.152 11.164 0.750) 11.248 29.754 ( 0.091 8.392 -0.412) 8.403 29.763 ( -0.795 8.301 -0.801) 8.377 31.690 ( 0.689 3.032 0.137) 3.112 31.702 ( -0.453 2.460 -0.392) 2.532 32.237 ( 0.561 -7.128 -0.185) 7.152 32.249 ( -0.671 -7.021 -0.731) 7.091 83.349 ( 0.551 -2.332 2.285) 3.311 83.350 ( 0.397 -2.449 2.229) 3.335 84.188 ( 0.602 -22.028 5.424) 22.694 84.210 ( -1.600 -23.687 4.566) 24.176 ======================= Grid point 330 (115/144) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 3.860 1.977) 4.336 2.597 ( 0.000 -0.956 -5.164) 5.252 2.828 ( 0.000 1.101 2.516) 2.747 2.921 ( 0.000 14.548 0.108) 14.549 2.984 ( 0.000 4.323 -1.845) 4.701 3.030 ( 0.000 -10.489 -7.280) 12.768 3.878 ( 0.000 -12.973 8.622) 15.577 4.052 ( 0.000 -14.830 1.191) 14.877 5.377 ( 0.000 15.145 -1.846) 15.257 5.409 ( 0.000 15.470 -4.705) 16.170 5.505 ( 0.000 11.527 -3.486) 12.042 5.538 ( 0.000 9.801 -3.638) 10.454 7.418 ( 0.000 -1.017 4.677) 4.786 7.507 ( 0.000 -3.222 -0.502) 3.261 7.916 ( 0.000 0.394 -1.681) 1.726 8.071 ( 0.000 -4.040 -4.298) 5.899 8.955 ( 0.000 0.187 -1.618) 1.628 9.000 ( 0.000 -0.180 -5.918) 5.921 9.654 ( 0.000 1.032 0.580) 1.184 9.817 ( 0.000 -4.056 -6.707) 7.838 10.205 ( 0.000 3.962 1.983) 4.431 10.260 ( 0.000 1.783 -0.911) 2.002 10.498 ( 0.000 -1.767 0.357) 1.803 10.512 ( 0.000 -2.341 0.250) 2.354 12.526 ( 0.000 0.612 9.276) 9.296 12.807 ( 0.000 -7.693 -3.764) 8.564 12.990 ( 0.000 4.305 4.214) 6.024 13.065 ( 0.000 2.202 0.354) 2.230 13.472 ( 0.000 5.879 1.472) 6.061 13.573 ( 0.000 2.260 -3.973) 4.571 13.709 ( 0.000 10.877 1.153) 10.938 13.825 ( 0.000 7.442 -4.873) 8.895 16.014 ( 0.000 -5.343 2.062) 5.728 16.053 ( 0.000 -7.129 -0.284) 7.134 16.290 ( 0.000 -7.247 2.924) 7.815 16.315 ( 0.000 -8.531 1.213) 8.617 29.667 ( 0.000 8.361 2.395) 8.697 29.730 ( 0.000 6.796 -0.558) 6.819 29.904 ( 0.000 5.309 0.589) 5.342 29.916 ( 0.000 4.660 0.004) 4.660 31.755 ( 0.000 4.768 -0.270) 4.776 31.759 ( 0.000 3.329 -0.457) 3.361 32.092 ( 0.000 -6.523 0.519) 6.544 32.134 ( 0.000 -6.628 -1.405) 6.775 83.291 ( 0.000 -0.615 1.633) 1.745 83.300 ( 0.000 -0.146 1.246) 1.255 83.855 ( 0.000 -16.047 3.185) 16.360 83.858 ( 0.000 -13.942 3.030) 14.268 ======================= Grid point 331 (116/144) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 3.830 4.607 1.710) 6.231 2.626 ( 2.898 -0.235 -5.326) 6.068 2.779 ( -4.455 4.211 1.000) 6.211 2.882 ( -4.614 6.653 -2.713) 8.539 3.000 ( 4.990 2.167 1.065) 5.543 3.126 ( 5.783 -3.365 -4.293) 7.949 3.858 ( -1.577 -13.874 7.642) 15.918 4.019 ( -3.456 -15.398 0.875) 15.805 5.373 ( -0.259 15.473 -1.914) 15.593 5.399 ( -0.882 15.684 -4.104) 16.236 5.512 ( 0.668 11.230 -3.679) 11.836 5.538 ( -0.033 9.853 -3.677) 10.517 7.451 ( 3.478 -0.740 4.485) 5.724 7.548 ( 4.215 -3.095 -0.892) 5.305 7.852 ( -6.001 0.117 -0.000) 6.002 8.010 ( -6.241 -4.292 -4.461) 8.791 8.990 ( 5.267 1.499 -0.826) 5.538 9.110 ( 9.148 -1.856 -7.135) 11.749 9.557 ( -8.970 1.326 0.135) 9.069 9.721 ( -8.781 -3.790 -7.117) 11.921 10.280 ( 6.481 3.291 2.024) 7.546 10.331 ( 5.928 1.490 -0.742) 6.157 10.498 ( -0.082 -1.517 0.605) 1.636 10.517 ( 0.261 -1.740 -0.141) 1.765 12.552 ( 2.911 1.136 9.302) 9.813 12.825 ( 1.898 -6.838 -3.247) 7.804 12.924 ( -6.146 3.936 5.444) 9.105 13.042 ( -2.630 0.817 -0.292) 2.770 13.488 ( 1.646 6.265 1.121) 6.573 13.588 ( 1.656 2.842 -4.277) 5.396 13.678 ( -3.064 10.339 0.994) 10.829 13.793 ( -3.212 6.918 -4.967) 9.102 16.047 ( 3.320 -5.419 2.171) 6.716 16.087 ( 3.336 -7.160 -0.098) 7.899 16.269 ( -2.168 -6.947 2.882) 7.827 16.300 ( -1.749 -8.299 1.057) 8.547 29.681 ( 1.368 8.433 2.223) 8.828 29.735 ( 0.392 7.220 -0.290) 7.236 29.894 ( -0.977 4.944 0.548) 5.070 29.906 ( -0.957 4.530 -0.018) 4.630 31.758 ( 0.312 4.678 -0.298) 4.698 31.761 ( 0.246 3.595 -0.447) 3.631 32.094 ( 0.208 -6.637 0.329) 6.648 32.128 ( -0.590 -6.699 -1.236) 6.838 83.305 ( 1.395 -0.178 1.612) 2.139 83.313 ( 1.260 0.284 1.271) 1.812 83.841 ( -1.325 -16.279 3.175) 16.639 83.844 ( -1.333 -14.557 3.028) 14.928 ======================= Grid point 332 (117/144) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 6.398 5.971 1.010) 8.810 2.669 ( -5.551 7.558 -0.677) 9.402 2.702 ( 3.470 -0.282 -3.662) 5.053 2.790 ( -4.934 3.259 -3.849) 7.056 3.117 ( 6.210 1.384 2.272) 6.756 3.188 ( -0.245 -0.400 -0.640) 0.794 3.854 ( 2.006 -16.026 4.129) 16.671 3.931 ( -5.277 -16.397 1.111) 17.261 5.372 ( 0.186 15.961 -2.260) 16.121 5.382 ( -0.819 16.008 -3.053) 16.317 5.525 ( 0.654 10.623 -3.813) 11.306 5.535 ( -0.324 10.109 -3.765) 10.792 7.544 ( 6.100 0.039 3.594) 7.081 7.632 ( 1.074 -0.614 -0.402) 1.301 7.747 ( -1.081 -3.004 0.801) 3.291 7.861 ( -8.650 -4.519 -3.237) 10.282 9.145 ( 10.371 1.823 -0.517) 10.543 9.307 ( 10.501 -2.741 -7.894) 13.420 9.359 ( -10.621 1.290 -0.678) 10.721 9.526 ( -11.262 -3.588 -7.940) 14.239 10.397 ( 5.026 2.257 1.868) 5.817 10.429 ( 3.012 1.601 0.352) 3.429 10.491 ( -0.360 -0.960 0.180) 1.041 10.511 ( -1.146 -0.981 -0.662) 1.648 12.638 ( 6.179 2.411 9.005) 11.184 12.777 ( -7.967 3.636 7.659) 11.634 12.887 ( 3.813 -5.287 -2.430) 6.957 12.971 ( -4.574 -2.291 -1.374) 5.297 13.534 ( 3.226 7.423 0.729) 8.127 13.606 ( -3.983 8.736 0.679) 9.626 13.639 ( 3.437 4.415 -4.749) 7.339 13.717 ( -4.443 5.661 -5.054) 8.793 16.126 ( 4.599 -5.768 2.445) 7.772 16.165 ( 4.333 -7.445 0.410) 8.624 16.211 ( -3.627 -6.203 2.607) 7.644 16.248 ( -3.647 -7.748 0.695) 8.592 29.713 ( 1.770 8.585 1.658) 8.921 29.736 ( -0.515 8.236 0.608) 8.274 29.878 ( -0.354 4.163 0.273) 4.187 29.885 ( -1.007 4.145 -0.021) 4.266 31.764 ( 0.235 4.463 -0.358) 4.483 31.765 ( 0.115 4.106 -0.414) 4.129 32.101 ( 0.546 -6.820 -0.170) 6.844 32.114 ( -0.788 -6.828 -0.773) 6.917 83.332 ( 1.079 0.797 1.517) 2.025 83.336 ( 0.728 1.041 1.366) 1.865 83.817 ( -0.840 -16.620 3.132) 16.933 83.819 ( -0.969 -15.914 3.059) 16.234 ======================= Grid point 335 (118/144) ======================= q-point: ( 0.00 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 4.742 -2.677) 5.445 2.568 ( 0.000 -2.423 -5.085) 5.632 2.802 ( 0.000 -0.872 -0.624) 1.072 2.851 ( 0.000 -6.472 -3.848) 7.529 3.137 ( 0.000 7.943 -0.294) 7.949 3.163 ( 0.000 7.574 -1.484) 7.718 3.679 ( 0.000 -4.913 5.971) 7.732 3.772 ( 0.000 -12.405 1.812) 12.537 5.597 ( 0.000 7.161 -2.175) 7.484 5.619 ( 0.000 6.110 -4.630) 7.666 5.648 ( 0.000 3.065 -3.992) 5.033 5.651 ( 0.000 1.624 -2.699) 3.150 7.418 ( 0.000 0.955 3.598) 3.723 7.451 ( 0.000 -2.389 1.454) 2.797 7.943 ( 0.000 2.216 -5.524) 5.951 7.998 ( 0.000 -3.379 -6.043) 6.923 8.968 ( 0.000 1.074 -2.276) 2.517 8.990 ( 0.000 -0.925 -4.160) 4.261 9.680 ( 0.000 1.915 -2.400) 3.070 9.735 ( 0.000 -3.765 -4.736) 6.050 10.263 ( 0.000 1.886 0.767) 2.036 10.279 ( 0.000 0.152 -0.080) 0.172 10.473 ( 0.000 -0.683 0.935) 1.158 10.477 ( 0.000 -1.093 1.040) 1.509 12.568 ( 0.000 3.800 5.964) 7.071 12.669 ( 0.000 -6.302 1.399) 6.455 13.051 ( 0.000 2.108 3.731) 4.286 13.076 ( 0.000 -0.562 2.492) 2.555 13.569 ( 0.000 3.450 -1.024) 3.598 13.600 ( 0.000 0.136 -2.652) 2.656 13.872 ( 0.000 5.383 -0.655) 5.423 13.912 ( 0.000 1.291 -2.709) 3.001 15.947 ( 0.000 -1.472 1.099) 1.837 15.958 ( 0.000 -2.637 0.440) 2.674 16.195 ( 0.000 -2.346 2.506) 3.433 16.202 ( 0.000 -3.090 1.987) 3.674 29.790 ( 0.000 4.028 1.360) 4.251 29.815 ( 0.000 1.639 0.208) 1.652 29.970 ( 0.000 1.610 0.738) 1.771 29.972 ( 0.000 1.323 0.651) 1.474 31.833 ( 0.000 3.877 -0.200) 3.882 31.847 ( 0.000 3.781 -0.879) 3.882 31.983 ( 0.000 -3.817 0.257) 3.825 32.013 ( 0.000 -5.462 -1.129) 5.577 83.300 ( 0.000 1.192 1.385) 1.827 83.310 ( 0.000 0.510 0.953) 1.081 83.640 ( 0.000 -5.521 2.171) 5.932 83.654 ( 0.000 -6.438 1.581) 6.630 ======================= Grid point 336 (119/144) ======================= q-point: ( 0.20 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 4.138 4.526 -2.677) 6.692 2.603 ( 3.539 -2.193 -4.976) 6.488 2.799 ( -0.914 0.072 -1.262) 1.560 2.844 ( -1.298 -4.689 -3.946) 6.264 3.160 ( 2.752 8.510 0.573) 8.962 3.201 ( 4.196 6.240 -1.116) 7.602 3.636 ( -4.177 -6.157 5.547) 9.281 3.728 ( -4.520 -13.022 1.454) 13.861 5.597 ( 0.023 7.226 -2.301) 7.583 5.615 ( -0.413 6.429 -4.130) 7.653 5.649 ( 0.077 2.436 -3.802) 4.516 5.652 ( 0.094 1.938 -3.036) 3.603 7.456 ( 4.032 1.200 3.184) 5.275 7.493 ( 4.365 -2.474 0.993) 5.114 7.875 ( -6.536 2.177 -3.638) 7.791 7.932 ( -6.523 -3.551 -4.996) 8.951 9.026 ( 6.278 2.177 -2.749) 7.191 9.070 ( 7.536 -2.201 -5.198) 9.416 9.589 ( -8.525 2.143 -2.960) 9.275 9.645 ( -8.428 -3.583 -5.355) 10.609 10.327 ( 5.533 1.564 1.087) 5.852 10.343 ( 5.499 -0.160 0.124) 5.503 10.480 ( 0.534 -0.305 1.119) 1.277 10.488 ( 0.786 -1.093 0.701) 1.517 12.601 ( 3.452 3.845 6.073) 7.974 12.698 ( 3.101 -5.947 1.646) 6.906 12.990 ( -6.008 2.711 4.461) 7.960 13.031 ( -4.699 -1.548 2.476) 5.533 13.589 ( 2.175 3.591 -1.231) 4.375 13.621 ( 2.257 0.244 -2.894) 3.678 13.833 ( -3.847 5.151 -0.865) 6.487 13.873 ( -3.896 1.107 -2.888) 4.974 15.980 ( 3.230 -1.452 1.269) 3.762 15.991 ( 3.292 -2.656 0.614) 4.274 16.179 ( -1.701 -2.139 2.404) 3.640 16.188 ( -1.513 -3.111 1.833) 3.915 29.805 ( 1.538 4.080 1.314) 4.554 29.828 ( 1.308 1.965 0.264) 2.375 29.954 ( -1.626 1.501 0.812) 2.357 29.959 ( -1.392 1.055 0.580) 1.840 31.840 ( 0.752 4.235 -0.225) 4.307 31.854 ( 0.602 4.305 -0.850) 4.429 31.979 ( -0.371 -4.491 0.152) 4.509 32.004 ( -0.817 -5.672 -1.044) 5.825 83.325 ( 2.562 1.796 1.416) 3.434 83.336 ( 2.549 1.200 0.977) 2.982 83.615 ( -2.501 -6.236 2.126) 7.047 83.628 ( -2.595 -7.013 1.565) 7.640 ======================= Grid point 337 (120/144) ======================= q-point: ( 0.40 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 6.051 3.812 -2.570) 7.600 2.689 ( 4.860 -1.360 -4.364) 6.672 2.747 ( -4.259 1.717 -2.587) 5.271 2.790 ( -4.324 -2.435 -4.329) 6.585 3.247 ( 5.567 10.314 2.157) 11.917 3.290 ( 2.913 9.351 0.361) 9.801 3.557 ( -2.071 -12.915 3.572) 13.559 3.616 ( -6.466 -15.015 1.078) 16.384 5.599 ( 0.245 7.240 -2.672) 7.722 5.606 ( -0.463 6.957 -3.312) 7.719 5.651 ( 0.132 2.004 -3.572) 4.098 5.653 ( -0.048 1.934 -3.347) 3.866 7.565 ( 7.197 1.920 1.802) 7.664 7.608 ( 7.299 -2.122 -0.435) 7.613 7.727 ( -8.177 1.209 -0.458) 8.279 7.779 ( -8.908 -3.695 -2.541) 9.973 9.189 ( 10.329 2.696 -3.569) 11.256 9.247 ( 10.621 -3.151 -6.313) 12.751 9.396 ( -11.118 2.496 -3.667) 11.970 9.455 ( -11.001 -3.457 -6.252) 13.117 10.427 ( 4.323 1.020 1.287) 4.624 10.441 ( 4.041 -0.281 0.427) 4.073 10.480 ( -0.884 0.057 1.131) 1.437 10.491 ( -0.867 -0.922 0.444) 1.341 12.699 ( 6.827 3.837 6.110) 9.933 12.785 ( 5.996 -4.854 2.172) 8.014 12.847 ( -8.326 3.433 5.534) 10.571 12.914 ( -7.122 -3.298 2.454) 8.223 13.650 ( 4.214 4.050 -1.428) 6.017 13.685 ( 4.320 0.547 -3.186) 5.396 13.743 ( -5.156 4.510 -1.283) 6.969 13.781 ( -5.353 0.713 -3.186) 6.271 16.055 ( 4.279 -1.460 1.670) 4.820 16.067 ( 4.279 -2.687 1.020) 5.155 16.131 ( -3.302 -1.869 2.098) 4.336 16.143 ( -3.265 -3.055 1.461) 4.704 29.843 ( 2.141 4.496 1.156) 5.112 29.857 ( 1.243 3.639 0.528) 3.882 29.918 ( -1.623 0.349 0.816) 1.850 29.925 ( -1.866 0.116 0.492) 1.933 31.856 ( 0.782 5.168 -0.356) 5.239 31.863 ( 0.175 5.417 -0.660) 5.460 31.975 ( 0.113 -5.992 -0.227) 5.998 31.986 ( -0.969 -6.219 -0.748) 6.338 83.383 ( 2.802 4.174 1.394) 5.217 83.390 ( 2.293 4.126 1.088) 4.844 83.562 ( -2.231 -9.218 1.973) 9.687 83.570 ( -2.853 -9.329 1.623) 9.890 ======================= Grid point 375 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 0.000 -9.334) 9.334 1.812 ( 0.000 0.000 9.334) 9.334 1.960 ( 0.000 0.000 -11.291) 11.291 1.960 ( 0.000 0.000 11.291) 11.291 2.620 ( 0.000 0.000 -6.392) 6.392 2.620 ( 0.000 0.000 6.392) 6.392 2.976 ( 0.000 0.000 -2.969) 2.969 2.976 ( 0.000 0.000 2.969) 2.969 3.984 ( 0.000 0.000 -4.188) 4.188 3.984 ( 0.000 0.000 4.188) 4.188 5.180 ( 0.000 0.000 -5.795) 5.795 5.180 ( 0.000 0.000 5.795) 5.795 7.676 ( 0.000 0.000 -3.041) 3.041 7.676 ( 0.000 0.000 3.041) 3.041 7.911 ( 0.000 0.000 -3.184) 3.184 7.911 ( 0.000 0.000 3.184) 3.184 8.673 ( 0.000 0.000 -1.750) 1.750 8.673 ( 0.000 0.000 1.750) 1.750 8.841 ( 0.000 0.000 -0.887) 0.887 8.841 ( 0.000 0.000 0.887) 0.887 10.198 ( 0.000 0.000 -3.472) 3.472 10.198 ( 0.000 0.000 3.472) 3.472 11.065 ( 0.000 0.000 -11.921) 11.921 11.065 ( 0.000 0.000 11.921) 11.921 12.213 ( 0.000 0.000 -0.938) 0.938 12.213 ( 0.000 0.000 0.938) 0.938 12.300 ( 0.000 0.000 -1.362) 1.362 12.300 ( 0.000 0.000 1.362) 1.362 13.219 ( 0.000 0.000 -4.427) 4.427 13.219 ( 0.000 0.000 4.427) 4.427 13.465 ( 0.000 0.000 -16.503) 16.503 13.465 ( 0.000 0.000 16.503) 16.503 17.120 ( 0.000 0.000 -5.208) 5.208 17.120 ( 0.000 0.000 5.208) 5.208 17.782 ( 0.000 0.000 -1.387) 1.387 17.782 ( 0.000 0.000 1.387) 1.387 28.671 ( 0.000 0.000 -0.159) 0.159 28.671 ( 0.000 0.000 0.159) 0.159 28.802 ( 0.000 0.000 -0.940) 0.940 28.802 ( 0.000 0.000 0.940) 0.940 31.682 ( 0.000 0.000 -4.496) 4.496 31.682 ( 0.000 0.000 4.496) 4.496 32.698 ( 0.000 0.000 -0.115) 0.115 32.698 ( 0.000 0.000 0.115) 0.115 83.855 ( 0.000 0.000 -5.303) 5.303 83.855 ( 0.000 0.000 5.303) 5.303 86.684 ( 0.000 0.000 -28.973) 28.973 86.684 ( 0.000 0.000 28.973) 28.973 ======================= Grid point 377 (122/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -9.096 0.000 -7.496) 11.787 1.709 ( -9.096 0.000 7.496) 11.787 1.960 ( 0.040 0.000 -9.141) 9.141 1.960 ( 0.040 0.000 9.141) 9.141 2.620 ( -0.025 0.000 -5.178) 5.178 2.620 ( -0.025 0.000 5.178) 5.178 3.032 ( 4.624 0.000 -2.961) 5.491 3.032 ( 4.624 0.000 2.961) 5.491 4.029 ( 4.323 0.000 -5.115) 6.697 4.029 ( 4.323 0.000 5.115) 6.697 5.146 ( -3.168 0.000 -5.093) 5.998 5.146 ( -3.168 0.000 5.093) 5.998 7.676 ( 0.014 0.000 -2.461) 2.461 7.676 ( 0.014 0.000 2.461) 2.461 7.946 ( 3.333 0.000 -3.726) 4.999 7.946 ( 3.333 0.000 3.726) 4.999 8.673 ( -0.022 0.000 -1.417) 1.417 8.673 ( -0.022 0.000 1.417) 1.417 8.810 ( -3.047 0.000 -3.646) 4.752 8.810 ( -3.047 0.000 3.646) 4.752 10.282 ( 8.593 0.000 -5.963) 10.459 10.282 ( 8.593 0.000 5.963) 10.459 10.992 ( -7.549 0.000 -12.086) 14.250 10.992 ( -7.549 0.000 12.086) 14.250 12.215 ( 0.229 0.000 -0.814) 0.845 12.215 ( 0.229 0.000 0.814) 0.845 12.298 ( -0.222 0.000 -1.157) 1.178 12.298 ( -0.222 0.000 1.157) 1.178 13.228 ( 0.796 0.000 -5.575) 5.631 13.228 ( 0.796 0.000 5.575) 5.631 13.458 ( -0.643 0.000 -14.404) 14.419 13.458 ( -0.643 0.000 14.404) 14.419 17.183 ( 6.461 0.000 -4.762) 8.026 17.183 ( 6.461 0.000 4.762) 8.026 17.719 ( -6.379 0.000 -1.074) 6.469 17.719 ( -6.379 0.000 1.074) 6.469 28.671 ( 0.003 0.000 -0.129) 0.129 28.671 ( 0.003 0.000 0.129) 0.129 28.802 ( -0.003 0.000 -0.761) 0.761 28.802 ( -0.003 0.000 0.761) 0.761 31.684 ( 0.183 0.000 -3.628) 3.633 31.684 ( 0.183 0.000 3.628) 3.633 32.698 ( -0.027 0.000 -0.183) 0.185 32.698 ( -0.027 0.000 0.183) 0.185 83.857 ( 0.174 0.000 -4.333) 4.337 83.857 ( 0.174 0.000 4.333) 4.337 86.665 ( -1.718 0.000 -23.404) 23.467 86.665 ( -1.718 0.000 23.404) 23.467 ======================= Grid point 379 (123/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -5.177 0.000 -2.898) 5.933 1.555 ( -5.177 0.000 2.898) 5.933 1.961 ( 0.025 0.000 -3.495) 3.495 1.961 ( 0.025 0.000 3.495) 3.495 2.619 ( -0.015 0.000 -1.982) 1.982 2.619 ( -0.015 0.000 1.982) 1.982 3.103 ( 2.147 0.000 -1.399) 2.563 3.103 ( 2.147 0.000 1.399) 2.563 4.112 ( 3.121 0.000 -2.881) 4.247 4.112 ( 3.121 0.000 2.881) 4.247 5.086 ( -2.315 0.000 -2.304) 3.266 5.086 ( -2.315 0.000 2.304) 3.266 7.676 ( 0.009 0.000 -0.940) 0.940 7.676 ( 0.009 0.000 0.940) 0.940 8.009 ( 2.396 0.000 -2.217) 3.265 8.009 ( 2.396 0.000 2.217) 3.265 8.673 ( -0.013 0.000 -0.542) 0.542 8.673 ( -0.013 0.000 0.542) 0.542 8.751 ( -2.257 0.000 -2.503) 3.370 8.751 ( -2.257 0.000 2.503) 3.370 10.492 ( 12.063 0.000 -8.317) 14.652 10.492 ( 12.063 0.000 8.317) 14.652 10.801 ( -11.375 0.000 -10.508) 15.486 10.801 ( -11.375 0.000 10.508) 15.486 12.220 ( 0.157 0.000 -0.354) 0.387 12.220 ( 0.157 0.000 0.354) 0.387 12.294 ( -0.153 0.000 -0.485) 0.508 12.294 ( -0.153 0.000 0.485) 0.508 13.241 ( 0.433 0.000 -3.190) 3.219 13.241 ( 0.433 0.000 3.190) 3.219 13.447 ( -0.336 0.000 -6.222) 6.231 13.447 ( -0.336 0.000 6.222) 6.231 17.347 ( 10.164 0.000 -3.411) 10.722 17.347 ( 10.164 0.000 3.411) 10.722 17.557 ( -10.115 0.000 -1.710) 10.258 17.557 ( -10.115 0.000 1.710) 10.258 28.671 ( 0.002 0.000 -0.050) 0.050 28.671 ( 0.002 0.000 0.050) 0.050 28.802 ( -0.002 0.000 -0.291) 0.291 28.802 ( -0.002 0.000 0.291) 0.291 31.687 ( 0.113 0.000 -1.381) 1.385 31.687 ( 0.113 0.000 1.381) 1.385 32.697 ( -0.017 0.000 -0.104) 0.105 32.697 ( -0.017 0.000 0.104) 0.105 83.860 ( 0.110 0.000 -1.682) 1.686 83.860 ( 0.110 0.000 1.682) 1.686 86.635 ( -1.060 0.000 -8.918) 8.981 86.635 ( -1.060 0.000 8.918) 8.981 ======================= Grid point 385 (124/144) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.000 2.869 -7.713) 8.229 1.836 ( 0.000 2.869 7.713) 8.229 2.170 ( 0.000 18.621 -9.382) 20.851 2.170 ( 0.000 18.621 9.382) 20.851 2.741 ( 0.000 11.154 -6.424) 12.871 2.741 ( 0.000 11.154 6.424) 12.871 3.033 ( 0.000 6.781 -2.838) 7.351 3.033 ( 0.000 6.781 2.838) 7.351 3.999 ( 0.000 1.809 -3.791) 4.200 3.999 ( 0.000 1.809 3.791) 4.200 5.150 ( 0.000 -3.000 -5.759) 6.494 5.150 ( 0.000 -3.000 5.759) 6.494 7.734 ( 0.000 3.314 -1.599) 3.680 7.734 ( 0.000 3.314 1.599) 3.680 7.958 ( 0.000 6.312 -3.867) 7.403 7.958 ( 0.000 6.312 3.867) 7.403 8.736 ( 0.000 5.171 -3.043) 6.000 8.736 ( 0.000 5.171 3.043) 6.000 8.850 ( 0.000 2.173 -2.152) 3.058 8.850 ( 0.000 2.173 2.152) 3.058 10.176 ( 0.000 -2.091 -2.490) 3.252 10.176 ( 0.000 -2.091 2.490) 3.252 11.013 ( 0.000 -4.984 -10.333) 11.472 11.013 ( 0.000 -4.984 10.333) 11.472 12.236 ( 0.000 -0.161 -1.622) 1.630 12.236 ( 0.000 -0.161 1.622) 1.630 12.329 ( 0.000 6.232 -1.072) 6.324 12.329 ( 0.000 6.232 1.072) 6.324 13.246 ( 0.000 1.736 -5.127) 5.413 13.246 ( 0.000 1.736 5.127) 5.413 13.460 ( 0.000 -0.277 -14.000) 14.002 13.460 ( 0.000 -0.277 14.000) 14.002 17.062 ( 0.000 -5.816 -5.055) 7.705 17.062 ( 0.000 -5.816 5.055) 7.705 17.697 ( 0.000 -8.519 -0.871) 8.564 17.697 ( 0.000 -8.519 0.871) 8.564 28.723 ( 0.000 5.218 -0.479) 5.240 28.723 ( 0.000 5.218 0.479) 5.240 28.869 ( 0.000 6.723 -0.704) 6.760 28.869 ( 0.000 6.723 0.704) 6.760 31.676 ( 0.000 -0.559 -4.275) 4.312 31.676 ( 0.000 -0.559 4.275) 4.312 32.674 ( 0.000 -2.432 -0.034) 2.432 32.674 ( 0.000 -2.432 0.034) 2.432 83.815 ( 0.000 -3.916 -4.695) 6.114 83.815 ( 0.000 -3.916 4.695) 6.114 86.502 ( 0.000 -18.035 -25.981) 31.627 86.502 ( 0.000 -18.035 25.981) 31.627 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -8.412 3.459 -6.256) 11.040 1.739 ( -8.412 3.459 6.256) 11.040 2.176 ( 0.443 19.421 -8.155) 21.069 2.176 ( 0.443 19.421 8.155) 21.069 2.751 ( 0.721 12.164 -5.257) 13.271 2.751 ( 0.721 12.164 5.257) 13.271 3.071 ( 3.265 4.867 -2.798) 6.494 3.071 ( 3.265 4.867 2.798) 6.494 4.045 ( 4.403 1.878 -4.755) 6.747 4.045 ( 4.403 1.878 4.755) 6.747 5.117 ( -3.208 -3.039 -5.075) 6.729 5.117 ( -3.208 -3.039 5.075) 6.729 7.749 ( 1.342 5.045 -1.441) 5.416 7.749 ( 1.342 5.045 1.441) 5.416 7.970 ( 1.201 3.679 -4.061) 5.609 7.970 ( 1.201 3.679 4.061) 5.609 8.737 ( 0.157 5.413 -3.006) 6.194 8.737 ( 0.157 5.413 3.006) 6.194 8.828 ( -2.176 3.115 -2.950) 4.810 8.828 ( -2.176 3.115 2.950) 4.810 10.256 ( 8.192 -2.529 -4.899) 9.875 10.256 ( 8.192 -2.529 4.899) 9.875 10.940 ( -7.538 -5.005 -10.496) 13.857 10.940 ( -7.538 -5.005 10.496) 13.857 12.246 ( 0.994 0.875 -1.704) 2.158 12.246 ( 0.994 0.875 1.704) 2.158 12.323 ( -0.646 5.474 -1.347) 5.674 12.323 ( -0.646 5.474 1.347) 5.674 13.243 ( -0.339 0.812 -4.538) 4.623 13.243 ( -0.339 0.812 4.538) 4.623 13.461 ( 0.132 0.372 -11.397) 11.404 13.461 ( 0.132 0.372 11.397) 11.404 17.123 ( 6.188 -6.077 -4.661) 9.846 17.123 ( 6.188 -6.077 4.661) 9.846 17.637 ( -6.066 -8.215 -0.888) 10.251 17.637 ( -6.066 -8.215 0.888) 10.251 28.723 ( -0.005 5.217 -0.387) 5.232 28.723 ( -0.005 5.217 0.387) 5.232 28.869 ( -0.004 6.716 -0.569) 6.740 28.869 ( -0.004 6.716 0.569) 6.740 31.678 ( 0.165 -0.577 -3.452) 3.504 31.678 ( 0.165 -0.577 3.452) 3.504 32.674 ( -0.023 -2.428 -0.149) 2.433 32.674 ( -0.023 -2.428 0.149) 2.433 83.817 ( 0.175 -3.913 -3.836) 5.483 83.817 ( 0.175 -3.913 3.836) 5.483 86.486 ( -1.494 -17.807 -20.995) 27.570 86.486 ( -1.494 -17.807 20.995) 27.570 ======================= Grid point 389 (126/144) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -4.688 4.610 -2.412) 7.003 1.599 ( -4.688 4.610 2.412) 7.003 2.182 ( 0.143 20.173 -3.256) 20.435 2.182 ( 0.143 20.173 3.256) 20.435 2.761 ( 0.251 13.280 -2.016) 13.435 2.761 ( 0.251 13.280 2.016) 13.435 3.123 ( 1.629 2.759 -1.319) 3.465 3.123 ( 1.629 2.759 1.319) 3.465 4.129 ( 3.178 1.993 -2.719) 4.633 4.129 ( 3.178 1.993 2.719) 4.633 5.055 ( -2.363 -3.147 -2.311) 4.564 5.055 ( -2.363 -3.147 2.311) 4.564 7.771 ( 0.714 8.192 -0.608) 8.245 7.771 ( 0.714 8.192 0.608) 8.245 7.995 ( 1.011 -1.219 -2.234) 2.739 7.995 ( 1.011 -1.219 2.234) 2.739 8.744 ( 0.596 6.492 -2.268) 6.902 8.744 ( 0.596 6.492 2.268) 6.902 8.782 ( -2.060 4.188 -1.525) 4.910 8.782 ( -2.060 4.188 1.525) 4.910 10.461 ( 12.124 -3.074 -7.445) 14.556 10.461 ( 12.124 -3.074 7.445) 14.556 10.748 ( -11.642 -5.122 -9.434) 15.835 10.748 ( -11.642 -5.122 9.434) 15.835 12.268 ( 1.098 3.820 -1.366) 4.203 12.268 ( 1.098 3.820 1.366) 4.203 12.307 ( -0.904 2.933 -1.263) 3.318 12.307 ( -0.904 2.933 1.263) 3.318 13.236 ( -0.270 -0.549 -1.885) 1.982 13.236 ( -0.270 -0.549 1.885) 1.982 13.464 ( 0.154 1.307 -4.341) 4.536 13.464 ( 0.154 1.307 4.341) 4.536 17.279 ( 9.566 -6.858 -3.411) 12.255 17.279 ( 9.566 -6.858 3.411) 12.255 17.483 ( -9.492 -7.365 -1.848) 12.156 17.483 ( -9.492 -7.365 1.848) 12.156 28.722 ( -0.003 5.216 -0.147) 5.218 28.722 ( -0.003 5.216 0.147) 5.218 28.869 ( -0.002 6.704 -0.217) 6.707 28.869 ( -0.002 6.704 0.217) 6.707 31.681 ( 0.102 -0.607 -1.314) 1.451 31.681 ( 0.102 -0.607 1.314) 1.451 32.673 ( -0.014 -2.421 -0.092) 2.422 32.673 ( -0.014 -2.421 0.092) 2.422 83.820 ( 0.110 -3.908 -1.489) 4.184 83.820 ( 0.110 -3.908 1.489) 4.184 86.460 ( -0.922 -17.439 -8.005) 19.211 86.460 ( -0.922 -17.439 8.005) 19.211 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.000 6.747 -5.239) 8.543 1.930 ( 0.000 6.747 5.239) 8.543 2.509 ( 0.000 11.906 -6.238) 13.442 2.509 ( 0.000 11.906 6.238) 13.442 3.019 ( 0.000 16.719 -6.705) 18.013 3.019 ( 0.000 16.719 6.705) 18.013 3.274 ( 0.000 18.290 -4.071) 18.737 3.274 ( 0.000 18.290 4.071) 18.737 4.085 ( 0.000 8.204 -1.914) 8.424 4.085 ( 0.000 8.204 1.914) 8.424 5.064 ( 0.000 -5.794 -5.574) 8.040 5.064 ( 0.000 -5.794 5.574) 8.040 7.741 ( 0.000 -1.954 -1.581) 2.513 7.741 ( 0.000 -1.954 1.581) 2.513 8.137 ( 0.000 8.778 -3.271) 9.368 8.137 ( 0.000 8.778 3.271) 9.368 8.803 ( 0.000 2.826 -3.196) 4.266 8.803 ( 0.000 2.826 3.196) 4.266 9.004 ( 0.000 12.735 -2.894) 13.060 9.004 ( 0.000 12.735 2.894) 13.060 10.128 ( 0.000 -2.374 -0.419) 2.411 10.128 ( 0.000 -2.374 0.419) 2.411 10.890 ( 0.000 -7.266 -7.058) 10.129 10.890 ( 0.000 -7.266 7.058) 10.129 12.253 ( 0.000 3.530 -0.416) 3.555 12.253 ( 0.000 3.530 0.416) 3.555 12.527 ( 0.000 12.822 -3.105) 13.193 12.527 ( 0.000 12.822 3.105) 13.193 13.246 ( 0.000 -1.989 -9.229) 9.441 13.246 ( 0.000 -1.989 9.229) 9.441 13.461 ( 0.000 0.263 -6.293) 6.298 13.461 ( 0.000 0.263 6.293) 6.298 16.902 ( 0.000 -10.339 -4.572) 11.304 16.902 ( 0.000 -10.339 4.572) 11.304 17.465 ( 0.000 -14.777 -0.314) 14.780 17.465 ( 0.000 -14.777 0.314) 14.780 28.866 ( 0.000 9.289 -1.538) 9.415 28.866 ( 0.000 9.289 1.538) 9.415 29.052 ( 0.000 11.556 -0.531) 11.568 29.052 ( 0.000 11.556 0.531) 11.568 31.663 ( 0.000 -0.718 -3.669) 3.739 31.663 ( 0.000 -0.718 3.669) 3.739 32.606 ( 0.000 -4.518 -0.186) 4.522 32.606 ( 0.000 -4.518 0.186) 4.522 83.711 ( 0.000 -6.486 -3.210) 7.237 83.711 ( 0.000 -6.486 3.210) 7.237 86.025 ( 0.000 -29.532 -18.943) 35.085 86.025 ( 0.000 -29.532 18.943) 35.085 ======================= Grid point 397 (128/144) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -6.958 7.674 -4.283) 11.209 1.849 ( -6.958 7.674 4.283) 11.209 2.545 ( 2.778 13.676 -5.991) 15.187 2.545 ( 2.778 13.676 5.991) 15.187 3.035 ( 1.431 15.927 -5.391) 16.875 3.035 ( 1.431 15.927 5.391) 16.875 3.276 ( 0.156 17.459 -3.736) 17.855 3.276 ( 0.156 17.459 3.736) 17.855 4.130 ( 4.334 7.941 -3.229) 9.606 4.130 ( 4.334 7.941 3.229) 9.606 5.029 ( -3.361 -5.908 -4.957) 8.413 5.029 ( -3.361 -5.908 4.957) 8.413 7.779 ( 3.922 -1.577 -1.887) 4.629 7.779 ( 3.922 -1.577 1.887) 4.629 8.097 ( -4.003 6.557 -3.291) 8.358 8.097 ( -4.003 6.557 3.291) 8.358 8.830 ( 2.596 5.217 -5.297) 7.875 8.830 ( 2.596 5.217 5.297) 7.875 8.992 ( -1.350 12.597 -3.144) 13.054 8.992 ( -1.350 12.597 3.144) 13.054 10.196 ( 7.129 -3.101 -2.686) 8.225 10.196 ( 7.129 -3.101 2.686) 8.225 10.817 ( -7.451 -7.070 -7.159) 12.520 10.817 ( -7.451 -7.070 7.159) 12.520 12.281 ( 2.816 4.194 -2.219) 5.518 12.281 ( 2.816 4.194 2.219) 5.518 12.503 ( -2.449 11.751 -3.351) 12.463 12.503 ( -2.449 11.751 3.351) 12.463 13.238 ( -0.749 -1.318 -7.362) 7.517 13.238 ( -0.749 -1.318 7.362) 7.517 13.466 ( 0.448 -0.147 -4.918) 4.941 13.466 ( 0.448 -0.147 4.918) 4.941 16.956 ( 5.457 -10.771 -4.308) 12.820 16.956 ( 5.457 -10.771 4.308) 12.820 17.414 ( -5.228 -14.269 -1.168) 15.241 17.414 ( -5.228 -14.269 1.168) 15.241 28.867 ( 0.029 9.330 -1.248) 9.413 28.867 ( 0.029 9.330 1.248) 9.413 29.051 ( -0.052 11.507 -0.434) 11.515 29.051 ( -0.052 11.507 0.434) 11.515 31.664 ( 0.126 -0.740 -2.966) 3.059 31.664 ( 0.126 -0.740 2.966) 3.059 32.605 ( -0.015 -4.515 -0.193) 4.519 32.605 ( -0.015 -4.515 0.193) 4.519 83.713 ( 0.200 -6.457 -2.627) 6.974 83.713 ( 0.200 -6.457 2.627) 6.974 86.014 ( -1.034 -29.280 -15.322) 33.063 86.014 ( -1.034 -29.280 15.322) 33.063 ======================= Grid point 399 (129/144) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -3.704 9.205 -1.641) 10.057 1.735 ( -3.704 9.205 1.641) 10.057 2.585 ( 1.101 16.082 -2.613) 16.330 2.585 ( 1.101 16.082 2.613) 16.330 3.060 ( 0.856 15.279 -2.005) 15.434 3.060 ( 0.856 15.279 2.005) 15.434 3.279 ( 0.051 16.003 -1.677) 16.091 3.279 ( 0.051 16.003 1.677) 16.091 4.213 ( 3.203 7.645 -2.086) 8.548 4.213 ( 3.203 7.645 2.086) 8.548 4.963 ( -2.562 -6.250 -2.317) 7.141 4.963 ( -2.562 -6.250 2.317) 7.141 7.878 ( 6.162 -0.049 -1.845) 6.432 7.878 ( 6.162 -0.049 1.845) 6.432 7.998 ( -6.130 2.421 -2.266) 6.970 7.998 ( -6.130 2.421 2.266) 6.970 8.887 ( 3.093 9.294 -5.239) 11.108 8.887 ( 3.093 9.294 5.239) 11.108 8.954 ( -2.519 11.745 -3.770) 12.590 8.954 ( -2.519 11.745 3.770) 12.590 10.384 ( 12.071 -4.431 -5.250) 13.889 10.384 ( 12.071 -4.431 5.250) 13.889 10.626 ( -12.125 -6.554 -6.848) 15.390 10.626 ( -12.125 -6.554 6.848) 15.390 12.351 ( 4.233 6.123 -3.253) 8.123 12.351 ( 4.233 6.123 3.253) 8.123 12.439 ( -4.076 9.109 -3.446) 10.557 12.439 ( -4.076 9.109 3.446) 10.557 13.225 ( -0.416 -0.226 -2.762) 2.802 13.225 ( -0.416 -0.226 2.762) 2.802 13.474 ( 0.273 -0.764 -1.795) 1.970 13.474 ( 0.273 -0.764 1.795) 1.970 17.091 ( 7.955 -12.063 -3.277) 14.817 17.091 ( 7.955 -12.063 3.277) 14.817 17.282 ( -7.815 -12.855 -2.120) 15.193 17.282 ( -7.815 -12.855 2.120) 15.193 28.867 ( 0.018 9.396 -0.479) 9.409 28.867 ( 0.018 9.396 0.479) 9.409 29.050 ( -0.032 11.427 -0.168) 11.428 29.050 ( -0.032 11.427 0.168) 11.428 31.667 ( 0.078 -0.776 -1.131) 1.374 31.667 ( 0.078 -0.776 1.131) 1.374 32.605 ( -0.009 -4.510 -0.094) 4.511 32.605 ( -0.009 -4.510 0.094) 4.511 83.717 ( 0.125 -6.411 -1.022) 6.493 83.717 ( 0.125 -6.411 1.022) 6.493 85.996 ( -0.640 -28.875 -5.851) 29.469 85.996 ( -0.640 -28.875 5.851) 29.469 ======================= Grid point 405 (130/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 9.662 -2.148) 9.898 2.092 ( 0.000 9.662 2.148) 9.898 2.627 ( 0.000 2.318 -3.582) 4.267 2.627 ( 0.000 2.318 3.582) 4.267 3.239 ( 0.000 3.957 -7.454) 8.440 3.239 ( 0.000 3.957 7.454) 8.440 3.763 ( 0.000 29.924 -5.549) 30.434 3.763 ( 0.000 29.924 5.549) 30.434 4.342 ( 0.000 17.307 -2.137) 17.438 4.342 ( 0.000 17.307 2.137) 17.438 4.933 ( 0.000 -7.056 -4.342) 8.285 4.933 ( 0.000 -7.056 4.342) 8.285 7.682 ( 0.000 -3.748 -2.494) 4.502 7.682 ( 0.000 -3.748 2.494) 4.502 8.216 ( 0.000 -0.604 -4.176) 4.220 8.216 ( 0.000 -0.604 4.176) 4.220 8.876 ( 0.000 3.867 -1.691) 4.221 8.876 ( 0.000 3.867 1.691) 4.221 9.289 ( 0.000 15.447 -3.476) 15.833 9.289 ( 0.000 15.447 3.476) 15.833 10.104 ( 0.000 0.214 -0.823) 0.850 10.104 ( 0.000 0.214 0.823) 0.850 10.746 ( 0.000 -7.090 -3.634) 7.967 10.746 ( 0.000 -7.090 3.634) 7.967 12.388 ( 0.000 9.900 -1.086) 9.960 12.388 ( 0.000 9.900 1.086) 9.960 12.794 ( 0.000 13.259 -3.140) 13.626 12.794 ( 0.000 13.259 3.140) 13.626 13.189 ( 0.000 -2.564 -9.713) 10.046 13.189 ( 0.000 -2.564 9.713) 10.046 13.460 ( 0.000 -0.489 -0.662) 0.823 13.460 ( 0.000 -0.489 0.662) 0.823 16.674 ( 0.000 -12.624 -3.754) 13.170 16.674 ( 0.000 -12.624 3.754) 13.170 17.145 ( 0.000 -17.448 -1.390) 17.503 17.145 ( 0.000 -17.448 1.390) 17.503 29.073 ( 0.000 11.647 -2.193) 11.852 29.073 ( 0.000 11.647 2.193) 11.852 29.300 ( 0.000 13.407 -0.641) 13.422 29.300 ( 0.000 13.407 0.641) 13.422 31.653 ( 0.000 -0.230 -2.812) 2.821 31.653 ( 0.000 -0.230 2.812) 2.821 32.502 ( 0.000 -6.010 -0.482) 6.029 32.502 ( 0.000 -6.010 0.482) 6.029 83.576 ( 0.000 -7.098 -1.594) 7.275 83.576 ( 0.000 -7.098 1.594) 7.275 85.407 ( 0.000 -32.685 -11.430) 34.626 85.407 ( 0.000 -32.685 11.430) 34.626 ======================= Grid point 407 (131/144) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -5.268 10.603 -2.240) 12.050 2.030 ( -5.268 10.603 2.240) 12.050 2.678 ( 4.060 2.194 -3.668) 5.895 2.678 ( 4.060 2.194 3.668) 5.895 3.251 ( 1.215 4.577 -6.336) 7.910 3.251 ( 1.215 4.577 6.336) 7.910 3.762 ( -0.141 29.967 -4.449) 30.296 3.762 ( -0.141 29.967 4.449) 30.296 4.378 ( 3.504 16.664 -2.457) 17.205 4.378 ( 3.504 16.664 2.457) 17.205 4.894 ( -3.799 -7.306 -3.980) 9.146 4.894 ( -3.799 -7.306 3.980) 9.146 7.722 ( 4.054 -3.850 -2.884) 6.291 7.722 ( 4.054 -3.850 2.884) 6.291 8.148 ( -6.334 -1.163 -4.539) 7.879 8.148 ( -6.334 -1.163 4.539) 7.879 8.945 ( 6.283 5.300 -5.321) 9.792 8.945 ( 6.283 5.300 5.321) 9.792 9.265 ( -2.522 14.389 -4.574) 15.308 9.265 ( -2.522 14.389 4.574) 15.308 10.159 ( 5.757 -0.254 -1.419) 5.935 10.159 ( 5.757 -0.254 1.419) 5.935 10.685 ( -6.280 -6.073 -3.745) 9.505 10.685 ( -6.280 -6.073 3.745) 9.505 12.420 ( 3.323 9.624 -3.311) 10.706 12.420 ( 3.323 9.624 3.311) 10.706 12.745 ( -4.808 11.847 -4.068) 13.417 12.745 ( -4.808 11.847 4.068) 13.417 13.209 ( 1.806 -0.655 -7.738) 7.973 13.209 ( 1.806 -0.655 7.738) 7.973 13.450 ( -0.875 -1.263 -1.037) 1.854 13.450 ( -0.875 -1.263 1.037) 1.854 16.719 ( 4.556 -13.039 -3.643) 14.285 16.719 ( 4.556 -13.039 3.643) 14.285 17.104 ( -4.161 -16.917 -1.847) 17.519 17.104 ( -4.161 -16.917 1.847) 17.519 29.075 ( 0.140 11.728 -1.793) 11.866 29.075 ( 0.140 11.728 1.793) 11.866 29.298 ( -0.176 13.320 -0.538) 13.332 29.298 ( -0.176 13.320 0.538) 13.332 31.654 ( 0.096 -0.240 -2.275) 2.290 31.654 ( 0.096 -0.240 2.275) 2.290 32.502 ( -0.016 -6.015 -0.399) 6.028 32.502 ( -0.016 -6.015 0.399) 6.028 83.579 ( 0.285 -7.030 -1.316) 7.157 83.579 ( 0.285 -7.030 1.316) 7.157 85.400 ( -0.689 -32.562 -9.257) 33.859 85.400 ( -0.689 -32.562 9.257) 33.859 ======================= Grid point 409 (132/144) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -2.668 12.076 -0.966) 12.405 1.946 ( -2.668 12.076 0.966) 12.405 2.739 ( 1.810 2.002 -1.661) 3.169 2.739 ( 1.810 2.002 1.661) 3.169 3.274 ( 0.857 5.673 -2.576) 6.289 3.274 ( 0.857 5.673 2.576) 6.289 3.759 ( -0.122 30.062 -1.688) 30.109 3.759 ( -0.122 30.062 1.688) 30.109 4.452 ( 3.256 16.542 -1.662) 16.941 4.452 ( 3.256 16.542 1.662) 16.941 4.815 ( -3.410 -8.680 -2.127) 9.566 4.815 ( -3.410 -8.680 2.127) 9.566 7.821 ( 5.510 -4.356 -2.854) 7.581 7.821 ( 5.510 -4.356 2.854) 7.581 8.015 ( -6.551 -1.509 -3.472) 7.566 8.015 ( -6.551 -1.509 3.472) 7.566 9.077 ( 6.978 8.409 -6.638) 12.785 9.077 ( 6.978 8.409 6.638) 12.785 9.193 ( -5.117 11.788 -6.045) 14.202 9.193 ( -5.117 11.788 6.045) 14.202 10.311 ( 9.543 -2.348 -2.593) 10.164 10.311 ( 9.543 -2.348 2.593) 10.164 10.526 ( -9.753 -3.234 -3.510) 10.858 10.526 ( -9.753 -3.234 3.510) 10.858 12.508 ( 5.859 9.285 -5.104) 12.108 12.508 ( 5.859 9.285 5.104) 12.108 12.631 ( -6.716 10.093 -5.212) 13.196 12.631 ( -6.716 10.093 5.212) 13.196 13.242 ( 1.173 2.296 -3.051) 3.995 13.242 ( 1.173 2.296 3.051) 3.995 13.433 ( -0.673 -2.992 -0.749) 3.157 13.433 ( -0.673 -2.992 0.749) 3.157 16.829 ( 6.150 -14.211 -2.875) 15.749 16.829 ( 6.150 -14.211 2.875) 15.749 17.001 ( -5.907 -15.559 -2.231) 16.791 17.001 ( -5.907 -15.559 2.231) 16.791 29.077 ( 0.089 11.865 -0.697) 11.886 29.077 ( 0.089 11.865 0.697) 11.886 29.295 ( -0.111 13.175 -0.218) 13.178 29.295 ( -0.111 13.175 0.218) 13.178 31.655 ( 0.059 -0.255 -0.869) 0.908 31.655 ( 0.059 -0.255 0.869) 0.908 32.502 ( -0.010 -6.023 -0.158) 6.025 32.502 ( -0.010 -6.023 0.158) 6.025 83.584 ( 0.179 -6.918 -0.519) 6.939 83.584 ( 0.179 -6.918 0.519) 6.939 85.387 ( -0.428 -32.363 -3.543) 32.559 85.387 ( -0.428 -32.363 3.543) 32.559 ======================= Grid point 415 (133/144) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 10.212 -1.849) 10.378 2.292 ( 0.000 10.212 1.849) 10.378 2.653 ( 0.000 1.266 -1.056) 1.649 2.653 ( 0.000 1.266 1.056) 1.649 3.217 ( 0.000 -4.853 -7.368) 8.823 3.217 ( 0.000 -4.853 7.368) 8.823 4.304 ( 0.000 19.598 -5.508) 20.357 4.304 ( 0.000 19.598 5.508) 20.357 4.629 ( 0.000 9.011 -11.053) 14.261 4.629 ( 0.000 9.011 11.053) 14.261 4.904 ( 0.000 10.353 -3.215) 10.841 4.904 ( 0.000 10.353 3.215) 10.841 7.604 ( 0.000 -4.020 -3.069) 5.058 7.604 ( 0.000 -4.020 3.069) 5.058 8.153 ( 0.000 -4.880 -5.990) 7.726 8.153 ( 0.000 -4.880 5.990) 7.726 8.925 ( 0.000 1.155 -0.554) 1.281 8.925 ( 0.000 1.155 0.554) 1.281 9.562 ( 0.000 11.452 -4.639) 12.356 9.562 ( 0.000 11.452 4.639) 12.356 10.128 ( 0.000 1.850 -1.174) 2.192 10.128 ( 0.000 1.850 1.174) 2.192 10.626 ( 0.000 -5.002 -0.779) 5.063 10.626 ( 0.000 -5.002 0.779) 5.063 12.606 ( 0.000 11.253 -4.125) 11.985 12.606 ( 0.000 11.253 4.125) 11.985 12.936 ( 0.000 0.039 -5.051) 5.051 12.936 ( 0.000 0.039 5.051) 5.051 13.254 ( 0.000 10.787 -1.160) 10.849 13.254 ( 0.000 10.787 1.160) 10.849 13.452 ( 0.000 0.137 -1.733) 1.739 13.452 ( 0.000 0.137 1.733) 1.739 16.427 ( 0.000 -12.395 -2.736) 12.694 16.427 ( 0.000 -12.395 2.736) 12.694 16.809 ( 0.000 -16.421 -1.716) 16.511 16.809 ( 0.000 -16.421 1.716) 16.511 29.307 ( 0.000 12.060 -2.380) 12.293 29.307 ( 0.000 12.060 2.380) 12.293 29.555 ( 0.000 12.393 -0.705) 12.413 29.555 ( 0.000 12.393 0.705) 12.413 31.658 ( 0.000 0.909 -1.848) 2.060 31.658 ( 0.000 0.909 1.848) 2.060 32.376 ( 0.000 -6.809 -0.777) 6.854 32.376 ( 0.000 -6.809 0.777) 6.854 83.446 ( 0.000 -5.939 -0.484) 5.959 83.446 ( 0.000 -5.939 0.484) 5.959 84.792 ( 0.000 -29.660 -5.592) 30.183 84.792 ( 0.000 -29.660 5.592) 30.183 ======================= Grid point 417 (134/144) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -3.579 11.360 -2.164) 12.105 2.248 ( -3.579 11.360 2.164) 12.105 2.692 ( 3.071 0.200 -1.664) 3.498 2.692 ( 3.071 0.200 1.664) 3.498 3.245 ( 2.689 -3.989 -6.691) 8.241 3.245 ( 2.689 -3.989 6.691) 8.241 4.304 ( 0.012 19.359 -4.372) 19.846 4.304 ( 0.012 19.359 4.372) 19.846 4.630 ( 0.075 5.971 -10.278) 11.887 4.630 ( 0.075 5.971 10.278) 11.887 4.885 ( -1.811 13.092 -3.927) 13.788 4.885 ( -1.811 13.092 3.927) 13.788 7.641 ( 3.767 -4.166 -3.400) 6.566 7.641 ( 3.767 -4.166 3.400) 6.566 8.084 ( -6.384 -4.599 -6.048) 9.923 8.084 ( -6.384 -4.599 6.048) 9.923 9.008 ( 7.855 1.337 -5.139) 9.481 9.008 ( 7.855 1.337 5.139) 9.481 9.506 ( -5.534 9.292 -5.974) 12.355 9.506 ( -5.534 9.292 5.974) 12.355 10.185 ( 5.572 2.622 -1.665) 6.379 10.185 ( 5.572 2.622 1.665) 6.379 10.591 ( -3.687 -3.557 -1.129) 5.246 10.591 ( -3.687 -3.557 1.129) 5.246 12.625 ( 1.979 10.298 -5.465) 11.825 12.625 ( 1.979 10.298 5.465) 11.825 12.895 ( -4.025 2.519 -6.185) 7.797 12.895 ( -4.025 2.519 6.185) 7.797 13.276 ( 2.065 8.520 -1.260) 8.857 13.276 ( 2.065 8.520 1.260) 8.857 13.435 ( -1.724 0.210 -1.590) 2.355 13.435 ( -1.724 0.210 1.590) 2.355 16.465 ( 3.892 -12.620 -2.744) 13.488 16.465 ( 3.892 -12.620 2.744) 13.488 16.778 ( -3.238 -16.020 -1.982) 16.463 16.778 ( -3.238 -16.020 1.982) 16.463 29.311 ( 0.319 12.174 -1.965) 12.336 29.311 ( 0.319 12.174 1.965) 12.336 29.551 ( -0.363 12.272 -0.606) 12.293 29.551 ( -0.363 12.272 0.606) 12.293 31.659 ( 0.099 0.923 -1.497) 1.762 31.659 ( 0.099 0.923 1.497) 1.762 32.376 ( -0.035 -6.828 -0.631) 6.857 32.376 ( -0.035 -6.828 0.631) 6.857 83.451 ( 0.452 -5.819 -0.422) 5.852 83.451 ( 0.452 -5.819 0.422) 5.852 84.786 ( -0.605 -29.686 -4.538) 30.037 84.786 ( -0.605 -29.686 4.538) 30.037 ======================= Grid point 419 (135/144) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -1.703 12.966 -0.978) 13.114 2.193 ( -1.703 12.966 0.978) 13.114 2.737 ( 1.264 -1.266 -0.811) 1.964 2.737 ( 1.264 -1.266 0.811) 1.964 3.296 ( 1.867 -2.481 -2.982) 4.305 3.296 ( 1.867 -2.481 2.982) 4.305 4.304 ( -0.024 18.889 -1.606) 18.957 4.304 ( -0.024 18.889 1.606) 18.957 4.632 ( 0.082 -0.538 -5.011) 5.040 4.632 ( 0.082 -0.538 5.011) 5.040 4.852 ( -1.207 19.077 -2.478) 19.275 4.852 ( -1.207 19.077 2.478) 19.275 7.731 ( 4.649 -4.598 -3.064) 7.221 7.731 ( 4.649 -4.598 3.064) 7.221 7.955 ( -5.906 -4.113 -4.131) 8.299 7.955 ( -5.906 -4.113 4.131) 8.299 9.183 ( 9.756 2.613 -6.909) 12.237 9.183 ( 9.756 2.613 6.909) 12.237 9.369 ( -8.533 5.653 -6.978) 12.388 9.369 ( -8.533 5.653 6.978) 12.388 10.309 ( 6.346 2.074 -1.488) 6.840 10.309 ( 6.346 2.074 1.488) 6.840 10.498 ( -5.319 -0.082 -1.305) 5.478 10.498 ( -5.319 -0.082 1.305) 5.478 12.677 ( 3.062 7.347 -5.670) 9.773 12.677 ( 3.062 7.347 5.670) 9.773 12.807 ( -4.272 7.042 -5.893) 10.127 12.807 ( -4.272 7.042 5.893) 10.127 13.322 ( 2.440 5.875 -1.021) 6.443 13.322 ( 2.440 5.875 1.021) 6.443 13.393 ( -2.293 0.188 -1.128) 2.562 13.393 ( -2.293 0.188 1.128) 2.562 16.558 ( 5.173 -13.153 -2.359) 14.329 16.558 ( 5.173 -13.153 2.359) 14.329 16.696 ( -4.772 -15.203 -2.096) 16.072 16.696 ( -4.772 -15.203 2.096) 16.072 29.316 ( 0.208 12.376 -0.778) 12.402 29.316 ( 0.208 12.376 0.778) 12.402 29.545 ( -0.236 12.061 -0.257) 12.066 29.545 ( -0.236 12.061 0.257) 12.066 31.661 ( 0.061 0.945 -0.573) 1.107 31.661 ( 0.061 0.945 0.573) 1.107 32.375 ( -0.022 -6.857 -0.242) 6.862 32.375 ( -0.022 -6.857 0.242) 6.862 83.459 ( 0.283 -5.620 -0.179) 5.630 83.459 ( 0.283 -5.620 0.179) 5.630 84.775 ( -0.378 -29.734 -1.743) 29.787 84.775 ( -0.378 -29.734 1.743) 29.787 ======================= Grid point 425 (136/144) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.000 4.701 -6.107) 7.707 2.449 ( 0.000 4.701 6.107) 7.707 2.723 ( 0.000 7.161 -1.493) 7.315 2.723 ( 0.000 7.161 1.493) 7.315 3.085 ( 0.000 -8.081 -5.629) 9.848 3.085 ( 0.000 -8.081 5.629) 9.848 4.293 ( 0.000 -12.097 -4.338) 12.852 4.293 ( 0.000 -12.097 4.338) 12.852 4.977 ( 0.000 22.160 -0.937) 22.179 4.977 ( 0.000 22.160 0.937) 22.179 5.216 ( 0.000 16.649 -2.357) 16.815 5.216 ( 0.000 16.649 2.357) 16.815 7.533 ( 0.000 -3.121 -2.867) 4.238 7.533 ( 0.000 -3.121 2.867) 4.238 8.050 ( 0.000 -5.311 -6.645) 8.506 8.050 ( 0.000 -5.311 6.645) 8.506 8.935 ( 0.000 0.233 -0.348) 0.419 8.935 ( 0.000 0.233 0.348) 0.419 9.703 ( 0.000 2.896 -5.631) 6.332 9.703 ( 0.000 2.896 5.631) 6.332 10.176 ( 0.000 3.147 -1.867) 3.659 10.176 ( 0.000 3.147 1.867) 3.659 10.552 ( 0.000 -2.802 -0.507) 2.847 10.552 ( 0.000 -2.802 0.507) 2.847 12.737 ( 0.000 0.216 -9.415) 9.417 12.737 ( 0.000 0.216 9.415) 9.417 12.951 ( 0.000 4.588 -2.611) 5.279 12.951 ( 0.000 4.588 2.611) 5.279 13.447 ( 0.000 3.834 -3.579) 5.245 13.447 ( 0.000 3.834 3.579) 5.245 13.532 ( 0.000 11.406 -3.263) 11.864 13.532 ( 0.000 11.406 3.263) 11.864 16.205 ( 0.000 -10.104 -1.740) 10.253 16.205 ( 0.000 -10.104 1.740) 10.253 16.523 ( 0.000 -12.638 -1.226) 12.697 16.523 ( 0.000 -12.638 1.226) 12.697 29.531 ( 0.000 10.586 -2.173) 10.806 29.531 ( 0.000 10.586 2.173) 10.806 29.769 ( 0.000 9.327 -0.565) 9.344 29.769 ( 0.000 9.327 0.565) 9.344 31.691 ( 0.000 2.450 -0.902) 2.611 31.691 ( 0.000 2.450 0.902) 2.611 32.241 ( 0.000 -6.967 -0.996) 7.038 32.241 ( 0.000 -6.967 0.996) 7.038 83.352 ( 0.000 -3.569 -0.105) 3.571 83.352 ( 0.000 -3.569 0.105) 3.571 84.272 ( 0.000 -23.421 -1.856) 23.495 84.272 ( 0.000 -23.421 1.856) 23.495 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -0.493 7.404 -5.177) 9.048 2.442 ( -0.493 7.404 5.177) 9.048 2.720 ( -0.424 3.643 -1.339) 3.904 2.720 ( -0.424 3.643 1.339) 3.904 3.133 ( 4.540 -6.597 -5.563) 9.751 3.133 ( 4.540 -6.597 5.563) 9.751 4.271 ( -2.129 -12.913 -4.155) 13.731 4.271 ( -2.129 -12.913 4.155) 13.731 4.971 ( -0.495 22.434 -0.688) 22.450 4.971 ( -0.495 22.434 0.688) 22.450 5.217 ( 0.062 16.809 -1.960) 16.923 5.217 ( 0.062 16.809 1.960) 16.923 7.568 ( 3.533 -3.207 -3.165) 5.725 7.568 ( 3.533 -3.207 3.165) 5.725 7.989 ( -5.780 -4.874 -6.324) 9.856 7.989 ( -5.780 -4.874 6.324) 9.856 9.015 ( 7.755 -0.214 -4.306) 8.873 9.015 ( 7.755 -0.214 4.306) 8.873 9.610 ( -8.586 1.685 -6.073) 10.651 9.610 ( -8.586 1.685 6.073) 10.651 10.250 ( 6.470 3.677 -1.865) 7.672 10.250 ( 6.470 3.677 1.865) 7.672 10.541 ( -1.290 -1.855 -0.458) 2.306 10.541 ( -1.290 -1.855 0.458) 2.306 12.748 ( 1.198 0.841 -9.243) 9.358 12.748 ( 1.198 0.841 9.243) 9.358 12.931 ( -2.065 3.819 -4.023) 5.919 12.931 ( -2.065 3.819 4.023) 5.919 13.443 ( -0.240 4.490 -3.337) 5.599 13.443 ( -0.240 4.490 3.337) 5.599 13.515 ( -1.642 10.424 -3.216) 11.032 13.515 ( -1.642 10.424 3.216) 11.032 16.241 ( 3.609 -10.175 -1.780) 10.942 16.241 ( 3.609 -10.175 1.780) 10.942 16.498 ( -2.591 -12.338 -1.428) 12.688 16.498 ( -2.591 -12.338 1.428) 12.688 29.537 ( 0.569 10.743 -1.821) 10.911 29.537 ( 0.569 10.743 1.821) 10.911 29.763 ( -0.626 9.161 -0.513) 9.197 29.763 ( -0.626 9.161 0.513) 9.197 31.692 ( 0.148 2.493 -0.731) 2.602 31.692 ( 0.148 2.493 0.731) 2.602 32.240 ( -0.086 -7.008 -0.806) 7.054 32.240 ( -0.086 -7.008 0.806) 7.054 83.360 ( 0.745 -3.353 -0.099) 3.436 83.360 ( 0.745 -3.353 0.099) 3.436 84.264 ( -0.789 -23.601 -1.512) 23.663 84.264 ( -0.789 -23.601 1.512) 23.663 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.123 11.481 -2.115) 11.675 2.436 ( -0.123 11.481 2.115) 11.675 2.710 ( -0.399 -1.070 -0.580) 1.281 2.710 ( -0.399 -1.070 0.580) 1.281 3.216 ( 2.977 -4.714 -2.680) 6.186 3.216 ( 2.977 -4.714 2.680) 6.186 4.230 ( -1.551 -14.367 -2.042) 14.594 4.230 ( -1.551 -14.367 2.042) 14.594 4.963 ( -0.289 22.860 -0.222) 22.863 4.963 ( -0.289 22.860 0.222) 22.863 5.218 ( 0.037 17.051 -0.775) 17.069 5.218 ( 0.037 17.051 0.775) 17.069 7.651 ( 4.330 -3.324 -2.856) 6.161 7.651 ( 4.330 -3.324 2.856) 6.161 7.869 ( -5.483 -4.394 -4.084) 8.127 7.869 ( -5.483 -4.394 4.084) 8.127 9.198 ( 10.884 -0.475 -6.027) 12.451 9.198 ( 10.884 -0.475 6.027) 12.451 9.418 ( -11.026 0.042 -6.325) 12.712 9.418 ( -11.026 0.042 6.325) 12.712 10.370 ( 5.102 3.477 -1.141) 6.279 10.370 ( 5.102 3.477 1.141) 6.279 10.502 ( -2.484 0.172 -0.597) 2.561 10.502 ( -2.484 0.172 0.597) 2.561 12.778 ( 1.594 2.813 -6.232) 7.021 12.778 ( 1.594 2.813 6.232) 7.021 12.884 ( -2.223 1.580 -4.341) 5.127 12.884 ( -2.223 1.580 4.341) 5.127 13.446 ( 0.636 6.307 -2.714) 6.895 13.446 ( 0.636 6.307 2.714) 6.895 13.480 ( -1.723 8.114 -2.759) 8.741 13.480 ( -1.723 8.114 2.759) 8.741 16.328 ( 5.132 -10.371 -1.767) 11.706 16.328 ( 5.132 -10.371 1.767) 11.706 16.429 ( -4.511 -11.783 -1.663) 12.726 16.429 ( -4.511 -11.783 1.663) 12.726 29.547 ( 0.392 11.049 -0.744) 11.081 29.547 ( 0.392 11.049 0.744) 11.081 29.751 ( -0.427 8.843 -0.242) 8.856 29.751 ( -0.427 8.843 0.242) 8.856 31.695 ( 0.092 2.564 -0.280) 2.581 31.695 ( 0.092 2.564 0.280) 2.581 32.239 ( -0.054 -7.074 -0.308) 7.081 32.239 ( -0.054 -7.074 0.308) 7.081 83.374 ( 0.475 -2.979 -0.047) 3.017 83.374 ( 0.475 -2.979 0.047) 3.017 84.250 ( -0.502 -23.917 -0.585) 23.930 84.250 ( -0.502 -23.917 0.585) 23.930 ======================= Grid point 435 (139/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 0.322 -5.253) 5.263 2.486 ( 0.000 0.322 5.253) 5.263 2.896 ( 0.000 1.441 -4.001) 4.253 2.896 ( 0.000 1.441 4.001) 4.253 2.951 ( 0.000 2.768 -0.869) 2.901 2.951 ( 0.000 2.768 0.869) 2.901 4.019 ( 0.000 -14.746 -4.617) 15.451 4.019 ( 0.000 -14.746 4.617) 15.451 5.351 ( 0.000 15.426 -0.485) 15.434 5.351 ( 0.000 15.426 0.485) 15.434 5.488 ( 0.000 10.705 -1.190) 10.771 5.488 ( 0.000 10.705 1.190) 10.771 7.487 ( 0.000 -1.611 -1.878) 2.474 7.487 ( 0.000 -1.611 1.878) 2.474 7.956 ( 0.000 -4.150 -5.283) 6.718 7.956 ( 0.000 -4.150 5.283) 6.718 8.942 ( 0.000 0.455 -0.529) 0.698 8.942 ( 0.000 0.455 0.529) 0.698 9.703 ( 0.000 -1.760 -4.164) 4.521 9.703 ( 0.000 -1.760 4.164) 4.521 10.238 ( 0.000 2.822 -1.306) 3.109 10.238 ( 0.000 2.822 1.306) 3.109 10.509 ( 0.000 -1.695 -0.483) 1.763 10.509 ( 0.000 -1.695 0.483) 1.763 12.693 ( 0.000 -2.711 -7.130) 7.628 12.693 ( 0.000 -2.711 7.130) 7.628 13.050 ( 0.000 3.873 -1.807) 4.274 13.050 ( 0.000 3.873 1.807) 4.274 13.513 ( 0.000 3.490 -2.322) 4.192 13.513 ( 0.000 3.490 2.322) 4.192 13.748 ( 0.000 9.299 -2.768) 9.702 13.748 ( 0.000 9.299 2.768) 9.702 16.043 ( 0.000 -6.361 -0.863) 6.419 16.043 ( 0.000 -6.361 0.863) 6.419 16.324 ( 0.000 -7.752 -0.522) 7.769 16.324 ( 0.000 -7.752 0.522) 7.769 29.709 ( 0.000 7.454 -1.593) 7.623 29.709 ( 0.000 7.454 1.593) 7.623 29.912 ( 0.000 5.321 -0.283) 5.328 29.912 ( 0.000 5.321 0.283) 5.328 31.753 ( 0.000 3.897 -0.087) 3.898 31.753 ( 0.000 3.897 0.087) 3.898 32.108 ( 0.000 -6.566 -1.055) 6.651 32.108 ( 0.000 -6.566 1.055) 6.651 83.311 ( 0.000 -0.698 -0.248) 0.741 83.311 ( 0.000 -0.698 0.248) 0.741 83.888 ( 0.000 -15.837 -0.055) 15.837 83.888 ( 0.000 -15.837 0.055) 15.837 ======================= Grid point 437 (140/144) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 3.143 1.219 -4.978) 6.012 2.517 ( 3.143 1.219 4.978) 6.012 2.818 ( -5.152 2.953 -2.808) 6.569 2.818 ( -5.152 2.953 2.808) 6.569 3.049 ( 6.864 1.025 -3.265) 7.670 3.049 ( 6.864 1.025 3.265) 7.670 3.985 ( -3.288 -15.299 -4.296) 16.227 3.985 ( -3.288 -15.299 4.296) 16.227 5.350 ( -0.137 15.610 -0.424) 15.616 5.350 ( -0.137 15.610 0.424) 15.616 5.489 ( 0.071 10.616 -0.975) 10.661 5.489 ( 0.071 10.616 0.975) 10.661 7.521 ( 3.477 -1.613 -2.155) 4.397 7.521 ( 3.477 -1.613 2.155) 4.397 7.903 ( -5.169 -3.810 -4.895) 8.075 7.903 ( -5.169 -3.810 4.895) 8.075 9.010 ( 6.885 -0.108 -2.838) 7.448 9.010 ( 6.885 -0.108 2.838) 7.448 9.602 ( -9.274 -1.620 -4.203) 10.311 9.602 ( -9.274 -1.620 4.203) 10.311 10.312 ( 6.290 2.427 -1.184) 6.846 10.312 ( 6.290 2.427 1.184) 6.846 10.511 ( 0.010 -1.231 -0.513) 1.333 10.511 ( 0.010 -1.231 0.513) 1.333 12.719 ( 2.682 -2.143 -6.929) 7.733 12.719 ( 2.682 -2.143 6.930) 7.733 13.009 ( -4.093 3.082 -2.889) 5.882 13.009 ( -4.093 3.082 2.889) 5.882 13.524 ( 1.293 4.079 -2.303) 4.860 13.524 ( 1.293 4.079 2.303) 4.860 13.715 ( -3.247 8.696 -2.734) 9.677 13.715 ( -3.247 8.696 2.734) 9.677 16.078 ( 3.482 -6.389 -0.893) 7.331 16.078 ( 3.482 -6.389 0.893) 7.331 16.305 ( -2.064 -7.513 -0.693) 7.822 16.305 ( -2.064 -7.513 0.693) 7.822 29.719 ( 0.940 7.675 -1.377) 7.854 29.719 ( 0.940 7.675 1.377) 7.854 29.902 ( -1.011 5.093 -0.322) 5.202 29.902 ( -1.011 5.093 0.322) 5.202 31.756 ( 0.271 4.000 -0.073) 4.010 31.756 ( 0.271 4.000 0.073) 4.010 32.106 ( -0.201 -6.666 -0.859) 6.724 32.106 ( -0.201 -6.666 0.859) 6.724 83.325 ( 1.330 -0.256 -0.218) 1.372 83.325 ( 1.330 -0.256 0.218) 1.372 83.874 ( -1.335 -16.267 -0.061) 16.322 83.874 ( -1.335 -16.267 0.061) 16.322 ======================= Grid point 439 (141/144) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 4.904 3.830 -3.896) 7.342 2.597 ( 4.904 3.830 3.896) 7.342 2.716 ( -5.379 1.867 -2.909) 6.394 2.716 ( -5.379 1.867 2.909) 6.394 3.163 ( 3.971 0.991 -1.902) 4.513 3.163 ( 3.971 0.991 1.902) 4.513 3.920 ( -2.538 -16.609 -2.129) 16.937 3.920 ( -2.538 -16.609 2.129) 16.937 5.348 ( -0.082 15.894 -0.180) 15.895 5.348 ( -0.082 15.894 0.180) 15.895 5.490 ( 0.043 10.480 -0.379) 10.487 5.490 ( 0.043 10.480 0.379) 10.487 7.606 ( 4.704 -1.320 -2.247) 5.378 7.606 ( 4.704 -1.320 2.247) 5.378 7.789 ( -5.635 -3.696 -3.278) 7.494 7.789 ( -5.635 -3.696 3.278) 7.494 9.181 ( 10.657 -0.952 -4.095) 11.456 9.181 ( 10.657 -0.952 4.095) 11.456 9.398 ( -11.575 -1.530 -4.309) 12.446 9.398 ( -11.575 -1.530 4.309) 12.446 10.424 ( 4.587 1.836 -0.772) 5.001 10.424 ( 4.587 1.836 0.772) 5.001 10.500 ( -1.342 -0.323 -0.514) 1.473 10.500 ( -1.342 -0.323 0.514) 1.473 12.794 ( 5.125 -0.455 -6.106) 7.985 12.794 ( 5.125 -0.455 6.106) 7.985 12.908 ( -6.089 1.077 -4.659) 7.742 12.908 ( -6.089 1.077 4.659) 7.742 13.566 ( 3.174 5.476 -2.417) 6.775 13.566 ( 3.174 5.476 2.417) 6.775 13.640 ( -4.295 7.256 -2.613) 8.827 13.640 ( -4.295 7.256 2.613) 8.827 16.160 ( 4.778 -6.646 -0.926) 8.237 16.160 ( 4.778 -6.646 0.926) 8.237 16.247 ( -3.921 -6.929 -0.881) 8.010 16.247 ( -3.921 -6.929 0.881) 8.010 29.737 ( 0.739 8.231 -0.615) 8.287 29.737 ( 0.739 8.231 0.615) 8.287 29.882 ( -0.783 4.526 -0.214) 4.598 29.882 ( -0.783 4.526 0.214) 4.598 31.761 ( 0.170 4.177 -0.030) 4.180 31.761 ( 0.170 4.177 0.030) 4.180 32.102 ( -0.128 -6.835 -0.332) 6.844 32.102 ( -0.128 -6.835 0.332) 6.844 83.349 ( 0.903 0.622 -0.095) 1.101 83.349 ( 0.903 0.622 0.095) 1.101 83.850 ( -0.906 -17.127 -0.034) 17.151 83.850 ( -0.906 -17.127 0.034) 17.151 ======================= Grid point 445 (142/144) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 0.000 0.042 -2.193) 2.194 2.488 ( 0.000 0.042 2.193) 2.194 2.805 ( 0.000 -3.292 -1.006) 3.442 2.805 ( 0.000 -3.292 1.006) 3.442 3.141 ( 0.000 7.962 -0.650) 7.989 3.141 ( 0.000 7.962 0.650) 7.989 3.767 ( 0.000 -9.070 -2.433) 9.391 3.767 ( 0.000 -9.070 2.433) 9.391 5.561 ( 0.000 5.822 -0.242) 5.827 5.561 ( 0.000 5.822 0.242) 5.827 5.623 ( 0.000 3.201 -0.403) 3.226 5.623 ( 0.000 3.201 0.403) 3.226 7.468 ( 0.000 -0.399 -0.603) 0.723 7.468 ( 0.000 -0.399 0.603) 0.723 7.897 ( 0.000 -1.645 -2.037) 2.618 7.897 ( 0.000 -1.645 2.037) 2.618 8.950 ( 0.000 0.300 -0.303) 0.426 8.950 ( 0.000 0.300 0.303) 0.426 9.669 ( 0.000 -1.127 -1.460) 1.844 9.669 ( 0.000 -1.127 1.460) 1.844 10.275 ( 0.000 0.931 -0.375) 1.004 10.275 ( 0.000 0.931 0.375) 1.004 10.486 ( 0.000 -0.640 -0.159) 0.660 10.486 ( 0.000 -0.640 0.159) 0.660 12.657 ( 0.000 -0.957 -2.560) 2.733 12.657 ( 0.000 -0.957 2.560) 2.733 13.094 ( 0.000 0.970 -0.628) 1.156 13.094 ( 0.000 0.970 0.628) 1.156 13.567 ( 0.000 1.637 -0.751) 1.801 13.567 ( 0.000 1.637 0.751) 1.801 13.874 ( 0.000 3.359 -0.953) 3.492 13.874 ( 0.000 3.359 0.953) 3.492 15.961 ( 0.000 -2.063 -0.219) 2.074 15.961 ( 0.000 -2.063 0.219) 2.074 16.222 ( 0.000 -2.659 -0.119) 2.662 16.222 ( 0.000 -2.659 0.119) 2.662 29.811 ( 0.000 2.790 -0.616) 2.857 29.811 ( 0.000 2.790 0.616) 2.857 29.978 ( 0.000 1.580 -0.051) 1.581 29.978 ( 0.000 1.580 0.051) 1.581 31.834 ( 0.000 3.833 -0.364) 3.850 31.834 ( 0.000 3.833 0.364) 3.850 31.993 ( 0.000 -4.689 -0.744) 4.747 31.993 ( 0.000 -4.689 0.744) 4.747 83.317 ( 0.000 0.842 -0.280) 0.887 83.317 ( 0.000 0.842 0.280) 0.887 83.667 ( 0.000 -6.382 -0.382) 6.393 83.667 ( 0.000 -6.382 0.382) 6.393 ======================= Grid point 447 (143/144) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 3.949 0.199 -1.997) 4.430 2.527 ( 3.949 0.199 1.997) 4.430 2.795 ( -1.554 -2.131 -0.969) 2.810 2.795 ( -1.554 -2.131 0.969) 2.810 3.178 ( 4.144 7.540 -1.072) 8.671 3.178 ( 4.144 7.540 1.072) 8.671 3.720 ( -4.802 -9.908 -2.393) 11.268 3.720 ( -4.802 -9.908 2.393) 11.268 5.564 ( 0.271 6.101 -0.239) 6.112 5.564 ( 0.271 6.101 0.239) 6.112 5.621 ( -0.241 2.945 -0.364) 2.977 5.621 ( -0.241 2.945 0.364) 2.977 7.503 ( 3.554 -0.376 -0.739) 3.650 7.503 ( 3.554 -0.376 0.739) 3.650 7.849 ( -4.844 -1.530 -1.877) 5.415 7.849 ( -4.844 -1.530 1.877) 5.415 9.010 ( 6.132 0.050 -0.996) 6.212 9.010 ( 6.132 0.050 0.996) 6.212 9.573 ( -8.987 -0.956 -1.471) 9.157 9.573 ( -8.987 -0.956 1.471) 9.157 10.342 ( 5.706 0.681 -0.375) 5.759 10.342 ( 5.706 0.681 0.375) 5.759 10.494 ( 0.590 -0.481 -0.216) 0.791 10.494 ( 0.590 -0.481 0.216) 0.791 12.689 ( 3.446 -0.765 -2.476) 4.312 12.689 ( 3.446 -0.765 2.476) 4.312 13.045 ( -4.978 0.784 -1.038) 5.146 13.045 ( -4.978 0.784 1.038) 5.146 13.585 ( 1.962 1.784 -0.765) 2.760 13.585 ( 1.962 1.784 0.765) 2.760 13.833 ( -4.054 3.135 -0.947) 5.211 13.833 ( -4.054 3.135 0.947) 5.211 15.996 ( 3.439 -2.057 -0.248) 4.015 15.996 ( 3.439 -2.057 0.248) 4.015 16.206 ( -1.743 -2.574 -0.203) 3.116 16.206 ( -1.743 -2.574 0.203) 3.116 29.825 ( 1.425 2.965 -0.563) 3.337 29.825 ( 1.425 2.965 0.563) 3.337 29.963 ( -1.504 1.403 -0.133) 2.061 29.963 ( -1.504 1.403 0.133) 2.061 31.841 ( 0.680 4.249 -0.336) 4.316 31.841 ( 0.680 4.249 0.336) 4.316 31.987 ( -0.605 -5.103 -0.643) 5.179 31.987 ( -0.605 -5.103 0.643) 5.179 83.343 ( 2.582 1.511 -0.282) 3.005 83.343 ( 2.582 1.511 0.282) 3.005 83.641 ( -2.576 -7.048 -0.362) 7.513 83.641 ( -2.576 -7.048 0.362) 7.513 ======================= Grid point 449 (144/144) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 5.912 0.364 -1.540) 6.120 2.624 ( 5.912 0.364 1.540) 6.120 2.733 ( -4.898 -0.307 -1.119) 5.033 2.733 ( -4.898 -0.307 1.119) 5.033 3.282 ( 5.234 9.554 -1.173) 10.957 3.282 ( 5.234 9.554 1.173) 10.957 3.611 ( -5.187 -13.818 -1.578) 14.844 3.611 ( -5.187 -13.818 1.578) 14.844 5.569 ( 0.201 6.740 -0.129) 6.744 5.569 ( 0.201 6.740 0.129) 6.744 5.616 ( -0.183 2.345 -0.174) 2.358 5.616 ( -0.183 2.345 0.174) 2.358 7.596 ( 5.905 -0.006 -1.023) 5.993 7.596 ( 5.905 -0.006 1.023) 5.993 7.734 ( -6.653 -1.720 -1.444) 7.022 7.734 ( -6.653 -1.720 1.444) 7.022 9.168 ( 10.063 -0.389 -1.444) 10.173 9.168 ( 10.063 -0.389 1.444) 10.173 9.374 ( -11.296 -0.725 -1.517) 11.420 9.374 ( -11.296 -0.725 1.518) 11.420 10.444 ( 4.288 0.358 -0.292) 4.313 10.444 ( 4.288 0.358 0.292) 4.313 10.494 ( -0.960 -0.188 -0.234) 1.005 10.494 ( -0.960 -0.188 0.234) 1.005 12.785 ( 6.493 -0.270 -2.192) 6.859 12.785 ( 6.493 -0.270 2.192) 6.859 12.922 ( -7.499 0.319 -1.682) 7.692 12.922 ( -7.499 0.319 1.682) 7.692 13.644 ( 4.188 2.177 -0.831) 4.793 13.644 ( 4.188 2.177 0.831) 4.793 13.738 ( -5.409 2.609 -0.907) 6.074 13.738 ( -5.409 2.609 0.907) 6.074 16.075 ( 4.533 -2.072 -0.285) 4.992 16.075 ( 4.533 -2.072 0.285) 4.992 16.156 ( -3.514 -2.422 -0.279) 4.277 16.156 ( -3.514 -2.422 0.279) 4.277 29.859 ( 1.772 3.893 -0.355) 4.292 29.859 ( 1.772 3.893 0.355) 4.292 29.928 ( -1.822 0.470 -0.197) 1.892 29.928 ( -1.822 0.470 0.197) 1.892 31.854 ( 0.500 5.252 -0.168) 5.278 31.854 ( 0.500 5.252 0.168) 5.278 31.975 ( -0.454 -6.103 -0.284) 6.127 31.975 ( -0.454 -6.103 0.284) 6.127 83.399 ( 2.564 4.212 -0.191) 4.935 83.399 ( 2.564 4.212 0.191) 4.935 83.585 ( -2.560 -9.746 -0.220) 10.079 83.585 ( -2.560 -9.746 0.220) 10.079 =================== 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 3/36000 10.0 3142.985 4726.038 5419.458 0.000 0.000 -0.000 3/36000 20.0 598.643 1206.323 702.347 0.000 0.000 0.000 3/36000 30.0 258.465 597.711 272.478 0.000 0.000 0.000 3/36000 40.0 154.342 384.367 153.436 0.000 0.000 0.000 3/36000 50.0 106.251 276.167 102.355 0.000 0.000 0.000 3/36000 60.0 78.655 208.829 74.542 0.000 0.000 0.000 3/36000 70.0 60.883 162.930 57.220 0.000 0.000 0.000 3/36000 80.0 48.679 130.332 45.552 0.000 0.000 0.000 3/36000 90.0 39.949 106.607 37.291 0.000 0.000 0.000 3/36000 100.0 33.514 88.989 31.234 0.000 0.000 0.000 3/36000 110.0 28.650 75.654 26.669 0.000 0.000 0.000 3/36000 120.0 24.893 65.372 23.149 0.000 0.000 0.000 3/36000 130.0 21.932 57.300 20.379 0.000 0.000 0.000 3/36000 140.0 19.557 50.855 18.161 0.000 0.000 0.000 3/36000 150.0 17.620 45.628 16.356 0.000 0.000 0.000 3/36000 160.0 16.019 41.326 14.865 0.000 0.000 0.000 3/36000 170.0 14.676 37.738 13.617 0.000 0.000 0.000 3/36000 180.0 13.537 34.710 12.561 0.000 0.000 0.000 3/36000 190.0 12.561 32.126 11.656 0.000 0.000 0.000 3/36000 200.0 11.715 29.898 10.873 0.000 0.000 0.000 3/36000 210.0 10.976 27.960 10.191 0.000 0.000 0.000 3/36000 220.0 10.326 26.261 9.590 0.000 0.000 0.000 3/36000 230.0 9.750 24.760 9.058 0.000 0.000 0.000 3/36000 240.0 9.235 23.425 8.583 0.000 0.000 0.000 3/36000 250.0 8.773 22.230 8.157 0.000 0.000 0.000 3/36000 260.0 8.356 21.154 7.773 0.000 0.000 0.000 3/36000 270.0 7.977 20.181 7.424 0.000 0.000 0.000 3/36000 280.0 7.632 19.297 7.106 0.000 0.000 0.000 3/36000 290.0 7.317 18.489 6.815 0.000 0.000 0.000 3/36000 300.0 7.027 17.749 6.548 0.000 0.000 0.000 3/36000 310.0 6.760 17.068 6.302 0.000 0.000 0.000 3/36000 320.0 6.513 16.440 6.074 0.000 0.000 0.000 3/36000 330.0 6.283 15.858 5.862 0.000 0.000 0.000 3/36000 340.0 6.070 15.317 5.665 0.000 0.000 0.000 3/36000 350.0 5.871 14.814 5.482 0.000 0.000 0.000 3/36000 360.0 5.685 14.344 5.310 0.000 0.000 0.000 3/36000 370.0 5.511 13.904 5.149 0.000 0.000 0.000 3/36000 380.0 5.347 13.491 4.998 0.000 0.000 0.000 3/36000 390.0 5.193 13.103 4.855 0.000 0.000 0.000 3/36000 400.0 5.048 12.738 4.721 0.000 0.000 0.000 3/36000 410.0 4.911 12.393 4.594 0.000 0.000 0.000 3/36000 420.0 4.782 12.067 4.474 0.000 0.000 0.000 3/36000 430.0 4.659 11.758 4.360 0.000 0.000 0.000 3/36000 440.0 4.542 11.465 4.252 0.000 0.000 0.000 3/36000 450.0 4.432 11.187 4.149 0.000 0.000 0.000 3/36000 460.0 4.326 10.923 4.051 0.000 0.000 0.000 3/36000 470.0 4.226 10.671 3.958 0.000 0.000 0.000 3/36000 480.0 4.130 10.431 3.869 0.000 0.000 0.000 3/36000 490.0 4.039 10.201 3.784 0.000 0.000 0.000 3/36000 500.0 3.951 9.982 3.703 0.000 0.000 0.000 3/36000 510.0 3.868 9.772 3.625 0.000 0.000 0.000 3/36000 520.0 3.788 9.571 3.550 0.000 0.000 0.000 3/36000 530.0 3.711 9.379 3.478 0.000 0.000 0.000 3/36000 540.0 3.637 9.194 3.410 0.000 0.000 0.000 3/36000 550.0 3.566 9.016 3.344 0.000 0.000 0.000 3/36000 560.0 3.498 8.846 3.280 0.000 0.000 0.000 3/36000 570.0 3.432 8.681 3.219 0.000 0.000 0.000 3/36000 580.0 3.369 8.523 3.160 0.000 0.000 0.000 3/36000 590.0 3.309 8.371 3.103 0.000 0.000 0.000 3/36000 600.0 3.250 8.224 3.048 0.000 0.000 0.000 3/36000 610.0 3.193 8.082 2.995 0.000 0.000 0.000 3/36000 620.0 3.139 7.945 2.944 0.000 0.000 0.000 3/36000 630.0 3.086 7.813 2.894 0.000 0.000 0.000 3/36000 640.0 3.035 7.685 2.847 0.000 0.000 0.000 3/36000 650.0 2.985 7.561 2.800 0.000 0.000 0.000 3/36000 660.0 2.938 7.441 2.755 0.000 0.000 0.000 3/36000 670.0 2.891 7.325 2.712 0.000 0.000 0.000 3/36000 680.0 2.847 7.212 2.670 0.000 0.000 0.000 3/36000 690.0 2.803 7.103 2.629 0.000 0.000 0.000 3/36000 700.0 2.761 6.998 2.590 0.000 0.000 0.000 3/36000 710.0 2.720 6.895 2.551 0.000 0.000 0.000 3/36000 720.0 2.680 6.795 2.514 0.000 0.000 0.000 3/36000 730.0 2.642 6.698 2.478 0.000 0.000 0.000 3/36000 740.0 2.604 6.604 2.442 0.000 0.000 0.000 3/36000 750.0 2.568 6.513 2.408 0.000 0.000 0.000 3/36000 760.0 2.532 6.424 2.375 0.000 0.000 0.000 3/36000 770.0 2.498 6.337 2.342 0.000 0.000 0.000 3/36000 780.0 2.464 6.253 2.311 0.000 0.000 0.000 3/36000 790.0 2.432 6.171 2.280 0.000 0.000 0.000 3/36000 800.0 2.400 6.091 2.250 0.000 0.000 0.000 3/36000 810.0 2.369 6.013 2.221 0.000 0.000 0.000 3/36000 820.0 2.339 5.937 2.192 0.000 0.000 0.000 3/36000 830.0 2.309 5.863 2.165 0.000 0.000 0.000 3/36000 840.0 2.280 5.791 2.138 0.000 0.000 0.000 3/36000 850.0 2.252 5.720 2.111 0.000 0.000 0.000 3/36000 860.0 2.225 5.651 2.085 0.000 0.000 0.000 3/36000 870.0 2.198 5.584 2.060 0.000 0.000 0.000 3/36000 880.0 2.172 5.519 2.036 0.000 0.000 0.000 3/36000 890.0 2.147 5.455 2.012 0.000 0.000 0.000 3/36000 900.0 2.122 5.392 1.988 0.000 0.000 0.000 3/36000 910.0 2.098 5.331 1.965 0.000 0.000 0.000 3/36000 920.0 2.074 5.271 1.943 0.000 0.000 0.000 3/36000 930.0 2.051 5.213 1.921 0.000 0.000 0.000 3/36000 940.0 2.028 5.156 1.900 0.000 0.000 0.000 3/36000 950.0 2.006 5.100 1.879 0.000 0.000 0.000 3/36000 960.0 1.984 5.045 1.858 0.000 0.000 0.000 3/36000 970.0 1.963 4.991 1.838 0.000 0.000 0.000 3/36000 980.0 1.942 4.939 1.819 0.000 0.000 0.000 3/36000 990.0 1.922 4.888 1.799 0.000 0.000 0.000 3/36000 1000.0 1.902 4.837 1.780 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:18:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|