----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:12:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.766905180000000 11.702557025000001 b 2.929782100000000 0.000000000000000 11.702557025000001 c 2.929782100000000 6.766905180000000 0.000000000000000 Atomic positions (fractional): *1 S 0.23814009365160 0.87521132356356 0.56134753396396 32.065 2 S 0.32530104882089 0.56134753396396 0.87521132356356 32.065 3 S 0.56134753396396 0.32530104882089 0.23814009365160 32.065 4 S 0.87521132356356 0.23814009365160 0.32530104882089 32.065 5 S 0.01185990634840 0.37478867643644 0.68865246603604 32.065 6 S 0.37478867643644 0.01185990634840 0.92469895117911 32.065 7 S 0.68865246603604 0.92469895117911 0.01185990634840 32.065 8 S 0.92469895117911 0.68865246603604 0.37478867643644 32.065 *9 Rb 0.93012045542043 0.93012045542043 0.56987954457957 85.468 10 Rb 0.31987954457957 0.31987954457957 0.68012045542043 85.468 11 Rb 0.56987954457957 0.56987954457957 0.93012045542043 85.468 12 Rb 0.68012045542043 0.68012045542043 0.31987954457957 85.468 *13 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 14 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 *15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.859564200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.533810360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.405114050000002 Atomic positions (fractional): *1 S 0.21827942876376 0.89974381380778 0.55667570860758 32.065 > 1 2 S 0.21827942876376 0.60025618619222 0.94332429139242 32.065 > 2 3 S 0.28172057123624 0.89974381380778 0.94332429139242 32.065 > 3 4 S 0.28172057123624 0.60025618619222 0.55667570860758 32.065 > 4 5 S 0.53172057123624 0.85025618619222 0.69332429139242 32.065 > 5 6 S 0.96827942876376 0.64974381380778 0.69332429139242 32.065 > 6 7 S 0.96827942876376 0.85025618619222 0.80667570860758 32.065 > 7 8 S 0.53172057123624 0.64974381380778 0.80667570860758 32.065 > 8 9 S 0.21827942876376 0.39974381380778 0.05667570860758 32.065 > 1 10 S 0.21827942876376 0.10025618619222 0.44332429139242 32.065 > 2 11 S 0.28172057123624 0.39974381380778 0.44332429139242 32.065 > 3 12 S 0.28172057123624 0.10025618619222 0.05667570860758 32.065 > 4 13 S 0.53172057123624 0.35025618619222 0.19332429139242 32.065 > 5 14 S 0.96827942876376 0.14974381380778 0.19332429139242 32.065 > 6 15 S 0.96827942876376 0.35025618619222 0.30667570860758 32.065 > 7 16 S 0.53172057123624 0.14974381380778 0.30667570860758 32.065 > 8 17 S 0.71827942876376 0.89974381380778 0.05667570860758 32.065 > 1 18 S 0.71827942876376 0.60025618619222 0.44332429139242 32.065 > 2 19 S 0.78172057123624 0.89974381380778 0.44332429139242 32.065 > 3 20 S 0.78172057123624 0.60025618619222 0.05667570860758 32.065 > 4 21 S 0.03172057123624 0.85025618619222 0.19332429139242 32.065 > 5 22 S 0.46827942876376 0.64974381380778 0.19332429139242 32.065 > 6 23 S 0.46827942876376 0.85025618619222 0.30667570860758 32.065 > 7 24 S 0.03172057123624 0.64974381380778 0.30667570860758 32.065 > 8 25 S 0.71827942876376 0.39974381380778 0.55667570860758 32.065 > 1 26 S 0.71827942876376 0.10025618619222 0.94332429139242 32.065 > 2 27 S 0.78172057123624 0.39974381380778 0.94332429139242 32.065 > 3 28 S 0.78172057123624 0.10025618619222 0.55667570860758 32.065 > 4 29 S 0.03172057123624 0.35025618619222 0.69332429139242 32.065 > 5 30 S 0.46827942876376 0.14974381380778 0.69332429139242 32.065 > 6 31 S 0.46827942876376 0.35025618619222 0.80667570860758 32.065 > 7 32 S 0.03172057123624 0.14974381380778 0.80667570860758 32.065 > 8 *33 Rb 0.75000000000000 0.75000000000000 0.93012045542043 85.468 > 9 34 Rb 0.50000000000000 0.00000000000000 0.81987954457957 85.468 > 10 35 Rb 0.75000000000000 0.75000000000000 0.56987954457957 85.468 > 11 36 Rb 0.00000000000000 0.00000000000000 0.68012045542043 85.468 > 12 37 Rb 0.75000000000000 0.25000000000000 0.43012045542043 85.468 > 9 38 Rb 0.50000000000000 0.50000000000000 0.31987954457957 85.468 > 10 39 Rb 0.75000000000000 0.25000000000000 0.06987954457957 85.468 > 11 40 Rb 0.00000000000000 0.50000000000000 0.18012045542043 85.468 > 12 41 Rb 0.25000000000000 0.75000000000000 0.43012045542043 85.468 > 9 42 Rb 0.00000000000000 0.00000000000000 0.31987954457957 85.468 > 10 43 Rb 0.25000000000000 0.75000000000000 0.06987954457957 85.468 > 11 44 Rb 0.50000000000000 0.00000000000000 0.18012045542043 85.468 > 12 45 Rb 0.25000000000000 0.25000000000000 0.93012045542043 85.468 > 9 46 Rb 0.00000000000000 0.50000000000000 0.81987954457957 85.468 > 10 47 Rb 0.25000000000000 0.25000000000000 0.56987954457957 85.468 > 11 48 Rb 0.50000000000000 0.50000000000000 0.68012045542043 85.468 > 12 *49 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 13 50 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 14 51 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 13 52 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 14 53 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 13 54 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 14 55 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 13 56 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 14 *57 Ta 0.50000000000000 0.00000000000000 0.00000000000000 180.948 > 15 58 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 > 16 59 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 15 60 Ta 0.75000000000000 0.25000000000000 0.25000000000000 180.948 > 16 61 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 15 62 Ta 0.25000000000000 0.75000000000000 0.25000000000000 180.948 > 16 63 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 15 64 Ta 0.25000000000000 0.25000000000000 0.75000000000000 180.948 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.719128400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.533810360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.405114050000002 Atomic positions (fractional): *1 S 0.10913971438188 0.89974381380778 0.55667570860758 32.065 > 1 2 S 0.60913971438188 0.89974381380778 0.55667570860758 32.065 > 1 3 S 0.10913971438188 0.60025618619222 0.94332429139242 32.065 > 2 4 S 0.60913971438188 0.60025618619222 0.94332429139242 32.065 > 2 5 S 0.14086028561812 0.89974381380778 0.94332429139242 32.065 > 3 6 S 0.64086028561812 0.89974381380778 0.94332429139242 32.065 > 3 7 S 0.14086028561812 0.60025618619222 0.55667570860758 32.065 > 4 8 S 0.64086028561812 0.60025618619222 0.55667570860758 32.065 > 4 9 S 0.26586028561812 0.85025618619222 0.69332429139242 32.065 > 5 10 S 0.76586028561812 0.85025618619222 0.69332429139242 32.065 > 5 11 S 0.48413971438188 0.64974381380778 0.69332429139242 32.065 > 6 12 S 0.98413971438188 0.64974381380778 0.69332429139242 32.065 > 6 13 S 0.48413971438188 0.85025618619222 0.80667570860758 32.065 > 7 14 S 0.98413971438188 0.85025618619222 0.80667570860758 32.065 > 7 15 S 0.26586028561812 0.64974381380778 0.80667570860758 32.065 > 8 16 S 0.76586028561812 0.64974381380778 0.80667570860758 32.065 > 8 17 S 0.10913971438188 0.39974381380778 0.05667570860758 32.065 > 1 18 S 0.60913971438188 0.39974381380778 0.05667570860758 32.065 > 1 19 S 0.10913971438188 0.10025618619222 0.44332429139242 32.065 > 2 20 S 0.60913971438188 0.10025618619222 0.44332429139242 32.065 > 2 21 S 0.14086028561812 0.39974381380778 0.44332429139242 32.065 > 3 22 S 0.64086028561812 0.39974381380778 0.44332429139242 32.065 > 3 23 S 0.14086028561812 0.10025618619222 0.05667570860758 32.065 > 4 24 S 0.64086028561812 0.10025618619222 0.05667570860758 32.065 > 4 25 S 0.26586028561812 0.35025618619222 0.19332429139242 32.065 > 5 26 S 0.76586028561812 0.35025618619222 0.19332429139242 32.065 > 5 27 S 0.48413971438188 0.14974381380778 0.19332429139242 32.065 > 6 28 S 0.98413971438188 0.14974381380778 0.19332429139242 32.065 > 6 29 S 0.48413971438188 0.35025618619222 0.30667570860758 32.065 > 7 30 S 0.98413971438188 0.35025618619222 0.30667570860758 32.065 > 7 31 S 0.26586028561812 0.14974381380778 0.30667570860758 32.065 > 8 32 S 0.76586028561812 0.14974381380778 0.30667570860758 32.065 > 8 33 S 0.35913971438188 0.89974381380778 0.05667570860758 32.065 > 1 34 S 0.85913971438188 0.89974381380778 0.05667570860758 32.065 > 1 35 S 0.35913971438188 0.60025618619222 0.44332429139242 32.065 > 2 36 S 0.85913971438188 0.60025618619222 0.44332429139242 32.065 > 2 37 S 0.39086028561812 0.89974381380778 0.44332429139242 32.065 > 3 38 S 0.89086028561812 0.89974381380778 0.44332429139242 32.065 > 3 39 S 0.39086028561812 0.60025618619222 0.05667570860758 32.065 > 4 40 S 0.89086028561812 0.60025618619222 0.05667570860758 32.065 > 4 41 S 0.01586028561812 0.85025618619222 0.19332429139242 32.065 > 5 42 S 0.51586028561812 0.85025618619222 0.19332429139242 32.065 > 5 43 S 0.23413971438188 0.64974381380778 0.19332429139242 32.065 > 6 44 S 0.73413971438188 0.64974381380778 0.19332429139242 32.065 > 6 45 S 0.23413971438188 0.85025618619222 0.30667570860758 32.065 > 7 46 S 0.73413971438188 0.85025618619222 0.30667570860758 32.065 > 7 47 S 0.01586028561812 0.64974381380778 0.30667570860758 32.065 > 8 48 S 0.51586028561812 0.64974381380778 0.30667570860758 32.065 > 8 49 S 0.35913971438188 0.39974381380778 0.55667570860758 32.065 > 1 50 S 0.85913971438188 0.39974381380778 0.55667570860758 32.065 > 1 51 S 0.35913971438188 0.10025618619222 0.94332429139242 32.065 > 2 52 S 0.85913971438188 0.10025618619222 0.94332429139242 32.065 > 2 53 S 0.39086028561812 0.39974381380778 0.94332429139242 32.065 > 3 54 S 0.89086028561812 0.39974381380778 0.94332429139242 32.065 > 3 55 S 0.39086028561812 0.10025618619222 0.55667570860758 32.065 > 4 56 S 0.89086028561812 0.10025618619222 0.55667570860758 32.065 > 4 57 S 0.01586028561812 0.35025618619222 0.69332429139242 32.065 > 5 58 S 0.51586028561812 0.35025618619222 0.69332429139242 32.065 > 5 59 S 0.23413971438188 0.14974381380778 0.69332429139242 32.065 > 6 60 S 0.73413971438188 0.14974381380778 0.69332429139242 32.065 > 6 61 S 0.23413971438188 0.35025618619222 0.80667570860758 32.065 > 7 62 S 0.73413971438188 0.35025618619222 0.80667570860758 32.065 > 7 63 S 0.01586028561812 0.14974381380778 0.80667570860758 32.065 > 8 64 S 0.51586028561812 0.14974381380778 0.80667570860758 32.065 > 8 *65 Rb 0.37500000000000 0.75000000000000 0.93012045542043 85.468 > 9 66 Rb 0.87500000000000 0.75000000000000 0.93012045542043 85.468 > 9 67 Rb 0.25000000000000 0.00000000000000 0.81987954457957 85.468 > 10 68 Rb 0.75000000000000 0.00000000000000 0.81987954457957 85.468 > 10 69 Rb 0.37500000000000 0.75000000000000 0.56987954457957 85.468 > 11 70 Rb 0.87500000000000 0.75000000000000 0.56987954457957 85.468 > 11 71 Rb 0.00000000000000 0.00000000000000 0.68012045542043 85.468 > 12 72 Rb 0.50000000000000 0.00000000000000 0.68012045542043 85.468 > 12 73 Rb 0.37500000000000 0.25000000000000 0.43012045542043 85.468 > 9 74 Rb 0.87500000000000 0.25000000000000 0.43012045542043 85.468 > 9 75 Rb 0.25000000000000 0.50000000000000 0.31987954457957 85.468 > 10 76 Rb 0.75000000000000 0.50000000000000 0.31987954457957 85.468 > 10 77 Rb 0.37500000000000 0.25000000000000 0.06987954457957 85.468 > 11 78 Rb 0.87500000000000 0.25000000000000 0.06987954457957 85.468 > 11 79 Rb 0.00000000000000 0.50000000000000 0.18012045542043 85.468 > 12 80 Rb 0.50000000000000 0.50000000000000 0.18012045542043 85.468 > 12 81 Rb 0.12500000000000 0.75000000000000 0.43012045542043 85.468 > 9 82 Rb 0.62500000000000 0.75000000000000 0.43012045542043 85.468 > 9 83 Rb 0.00000000000000 0.00000000000000 0.31987954457957 85.468 > 10 84 Rb 0.50000000000000 0.00000000000000 0.31987954457957 85.468 > 10 85 Rb 0.12500000000000 0.75000000000000 0.06987954457957 85.468 > 11 86 Rb 0.62500000000000 0.75000000000000 0.06987954457957 85.468 > 11 87 Rb 0.25000000000000 0.00000000000000 0.18012045542043 85.468 > 12 88 Rb 0.75000000000000 0.00000000000000 0.18012045542043 85.468 > 12 89 Rb 0.12500000000000 0.25000000000000 0.93012045542043 85.468 > 9 90 Rb 0.62500000000000 0.25000000000000 0.93012045542043 85.468 > 9 91 Rb 0.00000000000000 0.50000000000000 0.81987954457957 85.468 > 10 92 Rb 0.50000000000000 0.50000000000000 0.81987954457957 85.468 > 10 93 Rb 0.12500000000000 0.25000000000000 0.56987954457957 85.468 > 11 94 Rb 0.62500000000000 0.25000000000000 0.56987954457957 85.468 > 11 95 Rb 0.25000000000000 0.50000000000000 0.68012045542043 85.468 > 12 96 Rb 0.75000000000000 0.50000000000000 0.68012045542043 85.468 > 12 *97 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 13 98 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 13 99 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 14 100 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 14 101 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 13 102 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 13 103 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 14 104 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 14 105 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 13 106 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 13 107 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 14 108 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 14 109 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 13 110 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 13 111 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 14 112 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 14 *113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 15 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 15 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 16 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 16 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 15 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 15 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 16 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 16 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 15 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 15 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 16 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 16 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 15 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 15 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 16 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9120182 0.0000000 0.0000000 0.0000000 3.8334237 0.0000000 0.0000000 0.0000000 3.6292906 -------------------------- Born effective charges -------------------------- 1 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 2 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 3 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 4 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 5 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 6 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 7 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 8 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 9 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 10 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 11 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 12 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 13 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 14 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 15 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 16 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 240 - Time: 1.945 Solver_block: 200 / 240 - Time: 1.943 Solver_block: 240 / 240 - Time: 0.927 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.084 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 11640/11640 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1262 Number of blocks in projector: 1262 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1262, 1242), data: False |-- (174, 170), data: True |-- (174, 170), data: True |-- (174, 170), data: True |-- (236, 234), data: True |-- (244, 242), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:13:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:13:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.766905180000000 11.702557025000001 b 2.929782100000000 0.000000000000000 11.702557025000001 c 2.929782100000000 6.766905180000000 0.000000000000000 Atomic positions (fractional): 1 S 0.23814009365160 0.87521132356356 0.56134753396396 32.065 2 S 0.32530104882089 0.56134753396396 0.87521132356356 32.065 3 S 0.56134753396396 0.32530104882089 0.23814009365160 32.065 4 S 0.87521132356356 0.23814009365160 0.32530104882089 32.065 5 S 0.01185990634840 0.37478867643644 0.68865246603604 32.065 6 S 0.37478867643644 0.01185990634840 0.92469895117911 32.065 7 S 0.68865246603604 0.92469895117911 0.01185990634840 32.065 8 S 0.92469895117911 0.68865246603604 0.37478867643644 32.065 9 Rb 0.93012045542043 0.93012045542043 0.56987954457957 85.468 10 Rb 0.31987954457957 0.31987954457957 0.68012045542043 85.468 11 Rb 0.56987954457957 0.56987954457957 0.93012045542043 85.468 12 Rb 0.68012045542043 0.68012045542043 0.31987954457957 85.468 13 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 14 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.719128400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.533810360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.405114050000002 Atomic positions (fractional): 1 S 0.10913971438188 0.89974381380778 0.55667570860758 32.065 > 1 2 S 0.60913971438188 0.89974381380778 0.55667570860758 32.065 > 1 3 S 0.10913971438188 0.60025618619222 0.94332429139242 32.065 > 3 4 S 0.60913971438188 0.60025618619222 0.94332429139242 32.065 > 3 5 S 0.14086028561812 0.89974381380778 0.94332429139242 32.065 > 5 6 S 0.64086028561812 0.89974381380778 0.94332429139242 32.065 > 5 7 S 0.14086028561812 0.60025618619222 0.55667570860758 32.065 > 7 8 S 0.64086028561812 0.60025618619222 0.55667570860758 32.065 > 7 9 S 0.26586028561812 0.85025618619222 0.69332429139242 32.065 > 9 10 S 0.76586028561812 0.85025618619222 0.69332429139242 32.065 > 9 11 S 0.48413971438188 0.64974381380778 0.69332429139242 32.065 > 11 12 S 0.98413971438188 0.64974381380778 0.69332429139242 32.065 > 11 13 S 0.48413971438188 0.85025618619222 0.80667570860758 32.065 > 13 14 S 0.98413971438188 0.85025618619222 0.80667570860758 32.065 > 13 15 S 0.26586028561812 0.64974381380778 0.80667570860758 32.065 > 15 16 S 0.76586028561812 0.64974381380778 0.80667570860758 32.065 > 15 17 S 0.10913971438188 0.39974381380778 0.05667570860758 32.065 > 1 18 S 0.60913971438188 0.39974381380778 0.05667570860758 32.065 > 1 19 S 0.10913971438188 0.10025618619222 0.44332429139242 32.065 > 3 20 S 0.60913971438188 0.10025618619222 0.44332429139242 32.065 > 3 21 S 0.14086028561812 0.39974381380778 0.44332429139242 32.065 > 5 22 S 0.64086028561812 0.39974381380778 0.44332429139242 32.065 > 5 23 S 0.14086028561812 0.10025618619222 0.05667570860758 32.065 > 7 24 S 0.64086028561812 0.10025618619222 0.05667570860758 32.065 > 7 25 S 0.26586028561812 0.35025618619222 0.19332429139242 32.065 > 9 26 S 0.76586028561812 0.35025618619222 0.19332429139242 32.065 > 9 27 S 0.48413971438188 0.14974381380778 0.19332429139242 32.065 > 11 28 S 0.98413971438188 0.14974381380778 0.19332429139242 32.065 > 11 29 S 0.48413971438188 0.35025618619222 0.30667570860758 32.065 > 13 30 S 0.98413971438188 0.35025618619222 0.30667570860758 32.065 > 13 31 S 0.26586028561812 0.14974381380778 0.30667570860758 32.065 > 15 32 S 0.76586028561812 0.14974381380778 0.30667570860758 32.065 > 15 33 S 0.35913971438188 0.89974381380778 0.05667570860758 32.065 > 1 34 S 0.85913971438188 0.89974381380778 0.05667570860758 32.065 > 1 35 S 0.35913971438188 0.60025618619222 0.44332429139242 32.065 > 3 36 S 0.85913971438188 0.60025618619222 0.44332429139242 32.065 > 3 37 S 0.39086028561812 0.89974381380778 0.44332429139242 32.065 > 5 38 S 0.89086028561812 0.89974381380778 0.44332429139242 32.065 > 5 39 S 0.39086028561812 0.60025618619222 0.05667570860758 32.065 > 7 40 S 0.89086028561812 0.60025618619222 0.05667570860758 32.065 > 7 41 S 0.01586028561812 0.85025618619222 0.19332429139242 32.065 > 9 42 S 0.51586028561812 0.85025618619222 0.19332429139242 32.065 > 9 43 S 0.23413971438188 0.64974381380778 0.19332429139242 32.065 > 11 44 S 0.73413971438188 0.64974381380778 0.19332429139242 32.065 > 11 45 S 0.23413971438188 0.85025618619222 0.30667570860758 32.065 > 13 46 S 0.73413971438188 0.85025618619222 0.30667570860758 32.065 > 13 47 S 0.01586028561812 0.64974381380778 0.30667570860758 32.065 > 15 48 S 0.51586028561812 0.64974381380778 0.30667570860758 32.065 > 15 49 S 0.35913971438188 0.39974381380778 0.55667570860758 32.065 > 1 50 S 0.85913971438188 0.39974381380778 0.55667570860758 32.065 > 1 51 S 0.35913971438188 0.10025618619222 0.94332429139242 32.065 > 3 52 S 0.85913971438188 0.10025618619222 0.94332429139242 32.065 > 3 53 S 0.39086028561812 0.39974381380778 0.94332429139242 32.065 > 5 54 S 0.89086028561812 0.39974381380778 0.94332429139242 32.065 > 5 55 S 0.39086028561812 0.10025618619222 0.55667570860758 32.065 > 7 56 S 0.89086028561812 0.10025618619222 0.55667570860758 32.065 > 7 57 S 0.01586028561812 0.35025618619222 0.69332429139242 32.065 > 9 58 S 0.51586028561812 0.35025618619222 0.69332429139242 32.065 > 9 59 S 0.23413971438188 0.14974381380778 0.69332429139242 32.065 > 11 60 S 0.73413971438188 0.14974381380778 0.69332429139242 32.065 > 11 61 S 0.23413971438188 0.35025618619222 0.80667570860758 32.065 > 13 62 S 0.73413971438188 0.35025618619222 0.80667570860758 32.065 > 13 63 S 0.01586028561812 0.14974381380778 0.80667570860758 32.065 > 15 64 S 0.51586028561812 0.14974381380778 0.80667570860758 32.065 > 15 65 Rb 0.37500000000000 0.75000000000000 0.93012045542043 85.468 > 65 66 Rb 0.87500000000000 0.75000000000000 0.93012045542043 85.468 > 65 67 Rb 0.25000000000000 0.00000000000000 0.81987954457957 85.468 > 67 68 Rb 0.75000000000000 0.00000000000000 0.81987954457957 85.468 > 67 69 Rb 0.37500000000000 0.75000000000000 0.56987954457957 85.468 > 69 70 Rb 0.87500000000000 0.75000000000000 0.56987954457957 85.468 > 69 71 Rb 0.00000000000000 0.00000000000000 0.68012045542043 85.468 > 71 72 Rb 0.50000000000000 0.00000000000000 0.68012045542043 85.468 > 71 73 Rb 0.37500000000000 0.25000000000000 0.43012045542043 85.468 > 65 74 Rb 0.87500000000000 0.25000000000000 0.43012045542043 85.468 > 65 75 Rb 0.25000000000000 0.50000000000000 0.31987954457957 85.468 > 67 76 Rb 0.75000000000000 0.50000000000000 0.31987954457957 85.468 > 67 77 Rb 0.37500000000000 0.25000000000000 0.06987954457957 85.468 > 69 78 Rb 0.87500000000000 0.25000000000000 0.06987954457957 85.468 > 69 79 Rb 0.00000000000000 0.50000000000000 0.18012045542043 85.468 > 71 80 Rb 0.50000000000000 0.50000000000000 0.18012045542043 85.468 > 71 81 Rb 0.12500000000000 0.75000000000000 0.43012045542043 85.468 > 65 82 Rb 0.62500000000000 0.75000000000000 0.43012045542043 85.468 > 65 83 Rb 0.00000000000000 0.00000000000000 0.31987954457957 85.468 > 67 84 Rb 0.50000000000000 0.00000000000000 0.31987954457957 85.468 > 67 85 Rb 0.12500000000000 0.75000000000000 0.06987954457957 85.468 > 69 86 Rb 0.62500000000000 0.75000000000000 0.06987954457957 85.468 > 69 87 Rb 0.25000000000000 0.00000000000000 0.18012045542043 85.468 > 71 88 Rb 0.75000000000000 0.00000000000000 0.18012045542043 85.468 > 71 89 Rb 0.12500000000000 0.25000000000000 0.93012045542043 85.468 > 65 90 Rb 0.62500000000000 0.25000000000000 0.93012045542043 85.468 > 65 91 Rb 0.00000000000000 0.50000000000000 0.81987954457957 85.468 > 67 92 Rb 0.50000000000000 0.50000000000000 0.81987954457957 85.468 > 67 93 Rb 0.12500000000000 0.25000000000000 0.56987954457957 85.468 > 69 94 Rb 0.62500000000000 0.25000000000000 0.56987954457957 85.468 > 69 95 Rb 0.25000000000000 0.50000000000000 0.68012045542043 85.468 > 71 96 Rb 0.75000000000000 0.50000000000000 0.68012045542043 85.468 > 71 97 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 97 98 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 97 99 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 99 100 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 99 101 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 97 102 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 97 103 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 99 104 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 99 105 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 97 106 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 97 107 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 99 108 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 99 109 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 97 110 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 97 111 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 99 112 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 99 113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9120182 0.0000000 0.0000000 0.0000000 3.8334237 0.0000000 0.0000000 0.0000000 3.6292906 -------------------------- Born effective charges -------------------------- 1 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 2 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 3 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 4 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 5 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 6 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 7 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 8 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 9 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 10 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 11 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 12 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 13 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 14 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 15 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 16 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:13:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:13:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 6.766905180000000 11.702557025000001 b 2.929782100000000 0.000000000000000 11.702557025000001 c 2.929782100000000 6.766905180000000 0.000000000000000 Atomic positions (fractional): 1 S 0.23814009365160 0.87521132356356 0.56134753396396 32.065 2 S 0.32530104882089 0.56134753396396 0.87521132356356 32.065 3 S 0.56134753396396 0.32530104882089 0.23814009365160 32.065 4 S 0.87521132356356 0.23814009365160 0.32530104882089 32.065 5 S 0.01185990634840 0.37478867643644 0.68865246603604 32.065 6 S 0.37478867643644 0.01185990634840 0.92469895117911 32.065 7 S 0.68865246603604 0.92469895117911 0.01185990634840 32.065 8 S 0.92469895117911 0.68865246603604 0.37478867643644 32.065 9 Rb 0.93012045542043 0.93012045542043 0.56987954457957 85.468 10 Rb 0.31987954457957 0.31987954457957 0.68012045542043 85.468 11 Rb 0.56987954457957 0.56987954457957 0.93012045542043 85.468 12 Rb 0.68012045542043 0.68012045542043 0.31987954457957 85.468 13 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 14 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 15 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 16 Ta 0.75000000000000 0.75000000000000 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.719128400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.533810360000000 0.000000000000000 c 0.000000000000000 0.000000000000000 23.405114050000002 Atomic positions (fractional): 1 S 0.10913971438188 0.89974381380778 0.55667570860758 32.065 > 1 2 S 0.60913971438188 0.89974381380778 0.55667570860758 32.065 > 1 3 S 0.10913971438188 0.60025618619222 0.94332429139242 32.065 > 3 4 S 0.60913971438188 0.60025618619222 0.94332429139242 32.065 > 3 5 S 0.14086028561812 0.89974381380778 0.94332429139242 32.065 > 5 6 S 0.64086028561812 0.89974381380778 0.94332429139242 32.065 > 5 7 S 0.14086028561812 0.60025618619222 0.55667570860758 32.065 > 7 8 S 0.64086028561812 0.60025618619222 0.55667570860758 32.065 > 7 9 S 0.26586028561812 0.85025618619222 0.69332429139242 32.065 > 9 10 S 0.76586028561812 0.85025618619222 0.69332429139242 32.065 > 9 11 S 0.48413971438188 0.64974381380778 0.69332429139242 32.065 > 11 12 S 0.98413971438188 0.64974381380778 0.69332429139242 32.065 > 11 13 S 0.48413971438188 0.85025618619222 0.80667570860758 32.065 > 13 14 S 0.98413971438188 0.85025618619222 0.80667570860758 32.065 > 13 15 S 0.26586028561812 0.64974381380778 0.80667570860758 32.065 > 15 16 S 0.76586028561812 0.64974381380778 0.80667570860758 32.065 > 15 17 S 0.10913971438188 0.39974381380778 0.05667570860758 32.065 > 1 18 S 0.60913971438188 0.39974381380778 0.05667570860758 32.065 > 1 19 S 0.10913971438188 0.10025618619222 0.44332429139242 32.065 > 3 20 S 0.60913971438188 0.10025618619222 0.44332429139242 32.065 > 3 21 S 0.14086028561812 0.39974381380778 0.44332429139242 32.065 > 5 22 S 0.64086028561812 0.39974381380778 0.44332429139242 32.065 > 5 23 S 0.14086028561812 0.10025618619222 0.05667570860758 32.065 > 7 24 S 0.64086028561812 0.10025618619222 0.05667570860758 32.065 > 7 25 S 0.26586028561812 0.35025618619222 0.19332429139242 32.065 > 9 26 S 0.76586028561812 0.35025618619222 0.19332429139242 32.065 > 9 27 S 0.48413971438188 0.14974381380778 0.19332429139242 32.065 > 11 28 S 0.98413971438188 0.14974381380778 0.19332429139242 32.065 > 11 29 S 0.48413971438188 0.35025618619222 0.30667570860758 32.065 > 13 30 S 0.98413971438188 0.35025618619222 0.30667570860758 32.065 > 13 31 S 0.26586028561812 0.14974381380778 0.30667570860758 32.065 > 15 32 S 0.76586028561812 0.14974381380778 0.30667570860758 32.065 > 15 33 S 0.35913971438188 0.89974381380778 0.05667570860758 32.065 > 1 34 S 0.85913971438188 0.89974381380778 0.05667570860758 32.065 > 1 35 S 0.35913971438188 0.60025618619222 0.44332429139242 32.065 > 3 36 S 0.85913971438188 0.60025618619222 0.44332429139242 32.065 > 3 37 S 0.39086028561812 0.89974381380778 0.44332429139242 32.065 > 5 38 S 0.89086028561812 0.89974381380778 0.44332429139242 32.065 > 5 39 S 0.39086028561812 0.60025618619222 0.05667570860758 32.065 > 7 40 S 0.89086028561812 0.60025618619222 0.05667570860758 32.065 > 7 41 S 0.01586028561812 0.85025618619222 0.19332429139242 32.065 > 9 42 S 0.51586028561812 0.85025618619222 0.19332429139242 32.065 > 9 43 S 0.23413971438188 0.64974381380778 0.19332429139242 32.065 > 11 44 S 0.73413971438188 0.64974381380778 0.19332429139242 32.065 > 11 45 S 0.23413971438188 0.85025618619222 0.30667570860758 32.065 > 13 46 S 0.73413971438188 0.85025618619222 0.30667570860758 32.065 > 13 47 S 0.01586028561812 0.64974381380778 0.30667570860758 32.065 > 15 48 S 0.51586028561812 0.64974381380778 0.30667570860758 32.065 > 15 49 S 0.35913971438188 0.39974381380778 0.55667570860758 32.065 > 1 50 S 0.85913971438188 0.39974381380778 0.55667570860758 32.065 > 1 51 S 0.35913971438188 0.10025618619222 0.94332429139242 32.065 > 3 52 S 0.85913971438188 0.10025618619222 0.94332429139242 32.065 > 3 53 S 0.39086028561812 0.39974381380778 0.94332429139242 32.065 > 5 54 S 0.89086028561812 0.39974381380778 0.94332429139242 32.065 > 5 55 S 0.39086028561812 0.10025618619222 0.55667570860758 32.065 > 7 56 S 0.89086028561812 0.10025618619222 0.55667570860758 32.065 > 7 57 S 0.01586028561812 0.35025618619222 0.69332429139242 32.065 > 9 58 S 0.51586028561812 0.35025618619222 0.69332429139242 32.065 > 9 59 S 0.23413971438188 0.14974381380778 0.69332429139242 32.065 > 11 60 S 0.73413971438188 0.14974381380778 0.69332429139242 32.065 > 11 61 S 0.23413971438188 0.35025618619222 0.80667570860758 32.065 > 13 62 S 0.73413971438188 0.35025618619222 0.80667570860758 32.065 > 13 63 S 0.01586028561812 0.14974381380778 0.80667570860758 32.065 > 15 64 S 0.51586028561812 0.14974381380778 0.80667570860758 32.065 > 15 65 Rb 0.37500000000000 0.75000000000000 0.93012045542043 85.468 > 65 66 Rb 0.87500000000000 0.75000000000000 0.93012045542043 85.468 > 65 67 Rb 0.25000000000000 0.00000000000000 0.81987954457957 85.468 > 67 68 Rb 0.75000000000000 0.00000000000000 0.81987954457957 85.468 > 67 69 Rb 0.37500000000000 0.75000000000000 0.56987954457957 85.468 > 69 70 Rb 0.87500000000000 0.75000000000000 0.56987954457957 85.468 > 69 71 Rb 0.00000000000000 0.00000000000000 0.68012045542043 85.468 > 71 72 Rb 0.50000000000000 0.00000000000000 0.68012045542043 85.468 > 71 73 Rb 0.37500000000000 0.25000000000000 0.43012045542043 85.468 > 65 74 Rb 0.87500000000000 0.25000000000000 0.43012045542043 85.468 > 65 75 Rb 0.25000000000000 0.50000000000000 0.31987954457957 85.468 > 67 76 Rb 0.75000000000000 0.50000000000000 0.31987954457957 85.468 > 67 77 Rb 0.37500000000000 0.25000000000000 0.06987954457957 85.468 > 69 78 Rb 0.87500000000000 0.25000000000000 0.06987954457957 85.468 > 69 79 Rb 0.00000000000000 0.50000000000000 0.18012045542043 85.468 > 71 80 Rb 0.50000000000000 0.50000000000000 0.18012045542043 85.468 > 71 81 Rb 0.12500000000000 0.75000000000000 0.43012045542043 85.468 > 65 82 Rb 0.62500000000000 0.75000000000000 0.43012045542043 85.468 > 65 83 Rb 0.00000000000000 0.00000000000000 0.31987954457957 85.468 > 67 84 Rb 0.50000000000000 0.00000000000000 0.31987954457957 85.468 > 67 85 Rb 0.12500000000000 0.75000000000000 0.06987954457957 85.468 > 69 86 Rb 0.62500000000000 0.75000000000000 0.06987954457957 85.468 > 69 87 Rb 0.25000000000000 0.00000000000000 0.18012045542043 85.468 > 71 88 Rb 0.75000000000000 0.00000000000000 0.18012045542043 85.468 > 71 89 Rb 0.12500000000000 0.25000000000000 0.93012045542043 85.468 > 65 90 Rb 0.62500000000000 0.25000000000000 0.93012045542043 85.468 > 65 91 Rb 0.00000000000000 0.50000000000000 0.81987954457957 85.468 > 67 92 Rb 0.50000000000000 0.50000000000000 0.81987954457957 85.468 > 67 93 Rb 0.12500000000000 0.25000000000000 0.56987954457957 85.468 > 69 94 Rb 0.62500000000000 0.25000000000000 0.56987954457957 85.468 > 69 95 Rb 0.25000000000000 0.50000000000000 0.68012045542043 85.468 > 71 96 Rb 0.75000000000000 0.50000000000000 0.68012045542043 85.468 > 71 97 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 97 98 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 97 99 Ag 0.12500000000000 0.75000000000000 0.75000000000000 107.868 > 99 100 Ag 0.62500000000000 0.75000000000000 0.75000000000000 107.868 > 99 101 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 97 102 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 97 103 Ag 0.12500000000000 0.25000000000000 0.25000000000000 107.868 > 99 104 Ag 0.62500000000000 0.25000000000000 0.25000000000000 107.868 > 99 105 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 97 106 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 97 107 Ag 0.37500000000000 0.75000000000000 0.25000000000000 107.868 > 99 108 Ag 0.87500000000000 0.75000000000000 0.25000000000000 107.868 > 99 109 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 97 110 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 97 111 Ag 0.37500000000000 0.25000000000000 0.75000000000000 107.868 > 99 112 Ag 0.87500000000000 0.25000000000000 0.75000000000000 107.868 > 99 113 Ta 0.25000000000000 0.00000000000000 0.00000000000000 180.948 > 113 114 Ta 0.75000000000000 0.00000000000000 0.00000000000000 180.948 > 113 115 Ta 0.37500000000000 0.75000000000000 0.75000000000000 180.948 > 115 116 Ta 0.87500000000000 0.75000000000000 0.75000000000000 180.948 > 115 117 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 113 118 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 113 119 Ta 0.37500000000000 0.25000000000000 0.25000000000000 180.948 > 115 120 Ta 0.87500000000000 0.25000000000000 0.25000000000000 180.948 > 115 121 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 113 122 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 113 123 Ta 0.12500000000000 0.75000000000000 0.25000000000000 180.948 > 115 124 Ta 0.62500000000000 0.75000000000000 0.25000000000000 180.948 > 115 125 Ta 0.00000000000000 0.50000000000000 0.00000000000000 180.948 > 113 126 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 113 127 Ta 0.12500000000000 0.25000000000000 0.75000000000000 180.948 > 115 128 Ta 0.62500000000000 0.25000000000000 0.75000000000000 180.948 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9120182 0.0000000 0.0000000 0.0000000 3.8334237 0.0000000 0.0000000 0.0000000 3.6292906 -------------------------- Born effective charges -------------------------- 1 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 2 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 3 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 4 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 5 S -1.4953318 0.7848527 -0.6484005 0.3612733 -1.2091889 0.6506859 -0.2288881 0.5469896 -1.0720195 6 S -1.4953318 0.7848527 0.6484005 0.3612733 -1.2091889 -0.6506859 0.2288881 -0.5469896 -1.0720195 7 S -1.4953318 -0.7848527 -0.6484005 -0.3612733 -1.2091889 -0.6506859 -0.2288881 -0.5469896 -1.0720195 8 S -1.4953318 -0.7848527 0.6484005 -0.3612733 -1.2091889 0.6506859 0.2288881 0.5469896 -1.0720195 9 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 10 Rb 1.1916038 -0.0075525 0.0000000 -0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 11 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 12 Rb 1.1916038 0.0075525 0.0000000 0.0685880 1.3701674 0.0000000 0.0000000 0.0000000 1.3159245 13 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 14 Ag 0.1710505 0.0000000 0.0000000 0.0000000 0.4086704 0.0000000 0.0000000 0.0000000 0.4174832 15 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 16 Ta 3.4270691 0.0000000 0.0000000 0.0000000 1.6877503 0.0000000 0.0000000 0.0000000 1.2387459 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.54, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.268 ( 0.000 0.000 0.000) 0.000 0.755 ( 0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 -0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 -0.000) 0.000 1.676 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 11.831 ( 0.000 0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.017 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.224 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( -10.190 5.175 7.615) 13.733 0.324 ( -13.600 8.783 1.839) 16.293 0.418 ( -10.867 3.629 3.724) 12.046 0.701 ( -35.197 4.142 0.618) 35.445 0.825 ( -6.058 2.268 -0.818) 6.520 1.056 ( -28.189 1.784 -1.735) 28.298 1.176 ( 7.720 -0.402 0.156) 7.732 1.205 ( 0.973 0.790 -1.962) 2.329 1.327 ( -5.988 -6.481 -0.139) 8.825 1.442 ( -1.105 5.116 -1.114) 5.351 1.653 ( 2.930 -0.323 0.970) 3.103 1.896 ( 4.022 -2.664 -0.269) 4.832 1.991 ( 1.104 -0.092 -0.287) 1.145 2.026 ( 3.240 -0.235 0.463) 3.282 2.082 ( -5.396 -5.037 -0.375) 7.392 2.133 ( -1.725 -0.094 -7.330) 7.531 2.185 ( 1.054 1.415 -5.591) 5.863 2.290 ( -1.188 0.027 1.496) 1.910 2.330 ( -0.974 -3.424 5.095) 6.216 2.337 ( 1.861 -1.797 3.226) 4.135 2.397 ( -3.121 0.440 -0.497) 3.191 2.436 ( -1.103 -1.413 2.027) 2.706 2.490 ( 6.374 11.334 1.343) 13.072 2.503 ( 3.714 6.216 2.767) 7.751 4.304 ( 0.280 -0.337 0.014) 0.438 4.314 ( 0.536 -0.628 0.153) 0.840 4.378 ( 3.903 -0.177 -0.099) 3.909 4.395 ( 4.313 -0.053 -0.247) 4.321 4.430 ( 0.103 0.419 0.510) 0.668 4.535 ( 1.583 -0.009 -0.195) 1.595 4.885 ( 1.671 -0.220 0.115) 1.690 4.963 ( 2.072 -0.733 -0.239) 2.211 5.900 ( -1.670 -0.112 1.066) 1.984 5.966 ( 0.254 1.056 0.018) 1.086 6.053 ( -1.042 0.183 0.103) 1.063 6.066 ( -2.978 0.715 0.136) 3.066 7.233 ( 0.880 0.072 0.069) 0.885 7.358 ( -0.322 -3.789 -2.085) 4.337 7.513 ( -1.691 -0.096 -0.089) 1.696 7.519 ( -1.648 0.044 0.009) 1.648 11.994 ( -3.014 -3.992 -2.202) 5.465 12.027 ( -2.438 -0.514 1.731) 3.034 12.140 ( -0.948 0.126 -4.587) 4.685 12.220 ( 0.731 1.122 -0.611) 1.472 12.443 ( 1.404 -5.798 1.088) 6.064 12.539 ( 0.663 4.573 -0.411) 4.639 12.625 ( 0.001 0.014 0.075) 0.077 12.655 ( 0.784 -0.009 -0.130) 0.795 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -10.818 5.367 4.317) 12.825 0.587 ( -8.856 6.645 1.693) 11.201 0.646 ( -9.942 3.176 4.406) 11.328 0.936 ( -6.824 2.215 -5.111) 8.809 1.026 ( 6.028 0.774 -0.682) 6.115 1.160 ( -6.168 0.442 0.093) 6.184 1.187 ( -3.463 0.598 1.177) 3.706 1.396 ( -2.681 -1.775 -0.548) 3.261 1.557 ( -5.255 -1.445 0.759) 5.503 1.590 ( -19.457 2.943 0.829) 19.696 1.640 ( -18.473 3.219 -0.148) 18.752 1.788 ( 5.624 -2.191 0.240) 6.041 1.932 ( 4.798 -1.291 -1.673) 5.243 1.957 ( 4.326 0.515 0.950) 4.458 2.061 ( 1.192 -2.674 -3.238) 4.365 2.153 ( 0.621 1.475 -5.777) 5.994 2.222 ( -8.342 -0.161 -3.737) 9.142 2.269 ( 1.792 -2.875 2.139) 4.006 2.336 ( -1.557 0.639 5.269) 5.531 2.400 ( -5.613 0.394 1.376) 5.793 2.438 ( -0.239 0.695 -0.721) 1.029 2.473 ( 0.227 1.163 0.897) 1.486 2.481 ( 0.434 1.664 2.267) 2.845 2.499 ( -2.646 2.127 0.476) 3.428 4.272 ( 8.300 -0.117 -0.122) 8.302 4.281 ( 8.656 -0.148 0.001) 8.657 4.295 ( 0.557 -0.515 0.037) 0.759 4.299 ( 0.767 -0.879 0.119) 1.173 4.433 ( 0.118 0.331 0.405) 0.536 4.498 ( 2.427 -0.026 -0.286) 2.444 4.844 ( 2.916 -0.360 0.262) 2.950 4.907 ( 3.279 -1.093 -0.424) 3.482 5.945 ( -2.994 0.248 0.322) 3.022 5.985 ( -1.221 1.416 0.160) 1.877 6.077 ( -1.360 0.119 0.379) 1.417 6.124 ( -3.387 -0.551 -0.085) 3.433 7.215 ( 1.234 -0.035 0.326) 1.277 7.318 ( 1.609 -1.917 -1.102) 2.735 7.548 ( -2.215 0.199 -0.119) 2.227 7.554 ( -2.132 0.217 0.070) 2.144 12.015 ( -2.297 -1.250 -0.667) 2.698 12.078 ( -2.784 0.258 0.493) 2.839 12.137 ( -0.409 -0.563 -1.411) 1.574 12.212 ( 0.991 1.934 -1.335) 2.551 12.378 ( 1.474 -5.898 0.966) 6.156 12.549 ( 1.207 2.990 -0.418) 3.251 12.626 ( 0.044 0.216 0.186) 0.288 12.638 ( 1.128 0.316 -0.114) 1.177 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -3.328 1.829 -2.683) 4.649 0.735 ( -4.753 4.713 3.315) 7.470 0.832 ( -7.708 3.068 3.356) 8.949 0.985 ( -3.840 0.462 -1.348) 4.096 1.059 ( -5.018 2.269 -3.543) 6.548 1.135 ( 2.154 2.095 -2.005) 3.612 1.289 ( -3.474 -1.192 6.579) 7.535 1.392 ( 0.955 -0.897 0.657) 1.466 1.487 ( 5.883 0.118 1.314) 6.029 1.641 ( 6.914 -2.301 0.387) 7.297 1.793 ( 5.822 -1.826 -3.111) 6.849 1.827 ( 2.539 0.023 -0.958) 2.714 1.977 ( -2.478 1.834 -4.015) 5.062 1.989 ( -6.428 1.089 2.446) 6.963 2.036 ( -2.854 -0.312 -0.661) 2.946 2.166 ( -2.415 2.480 -2.124) 4.061 2.264 ( -5.200 -3.119 1.473) 6.240 2.331 ( -3.314 0.260 1.481) 3.639 2.422 ( 1.042 0.387 -0.176) 1.125 2.441 ( -1.437 1.514 0.475) 2.141 2.483 ( -9.240 -0.011 0.591) 9.259 2.558 ( -10.621 0.865 -0.144) 10.657 2.580 ( -15.685 -0.762 0.718) 15.720 2.613 ( -8.100 1.859 0.427) 8.321 4.086 ( 13.341 -0.187 -0.117) 13.343 4.090 ( 13.415 -0.048 0.175) 13.416 4.283 ( 0.327 -0.910 -0.007) 0.967 4.287 ( 0.231 -0.492 0.005) 0.543 4.431 ( 0.427 -0.150 -0.312) 0.550 4.458 ( 2.018 0.260 0.249) 2.050 4.788 ( 3.248 -0.367 0.389) 3.291 4.840 ( 3.272 -1.016 -0.443) 3.454 6.002 ( -3.064 0.715 -0.374) 3.169 6.027 ( -2.075 1.767 0.578) 2.786 6.100 ( -0.936 -0.250 0.600) 1.140 6.165 ( -2.162 -1.336 -0.463) 2.583 7.196 ( 1.077 -0.106 0.559) 1.218 7.271 ( 1.775 -1.339 -0.882) 2.392 7.586 ( -1.896 0.312 -0.149) 1.928 7.590 ( -1.656 0.322 0.100) 1.690 12.044 ( -1.672 0.006 0.266) 1.693 12.110 ( -0.893 -1.086 -0.623) 1.538 12.142 ( -0.702 0.380 -0.160) 0.814 12.209 ( 0.147 2.301 -1.739) 2.888 12.321 ( 0.983 -5.021 1.559) 5.348 12.541 ( 1.221 1.338 -0.479) 1.874 12.623 ( 1.019 0.688 0.068) 1.231 12.627 ( 0.174 0.351 0.198) 0.439 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 1.266 2.587 -0.845) 3.002 0.821 ( -2.372 -0.769 -1.386) 2.852 0.990 ( -6.389 2.493 -0.829) 6.908 1.072 ( -2.060 0.633 0.223) 2.167 1.092 ( -3.422 1.005 0.377) 3.587 1.178 ( -5.155 1.345 -1.484) 5.531 1.341 ( 1.591 -1.461 4.436) 4.934 1.368 ( 3.394 1.075 1.648) 3.923 1.404 ( 1.733 -0.626 3.486) 3.943 1.519 ( 5.710 -0.441 0.599) 5.758 1.663 ( 5.414 -1.129 -3.518) 6.554 1.761 ( 3.191 0.413 -1.209) 3.437 1.927 ( 1.680 -0.983 -3.073) 3.637 2.031 ( 1.139 -0.186 -0.048) 1.155 2.096 ( -2.730 -0.302 1.056) 2.943 2.171 ( 1.973 2.871 -0.165) 3.487 2.314 ( -1.438 -1.457 1.676) 2.646 2.358 ( 0.196 -0.358 -0.905) 0.993 2.406 ( 0.407 0.511 0.038) 0.654 2.458 ( -0.671 -0.265 0.981) 1.218 2.638 ( -5.813 1.358 0.666) 6.006 2.692 ( -4.127 0.847 -0.498) 4.242 2.934 ( -24.184 0.634 0.209) 24.193 2.968 ( -24.838 -0.300 -0.141) 24.840 3.819 ( 17.235 -0.150 -0.061) 17.235 3.826 ( 17.221 -0.063 0.095) 17.221 4.274 ( 0.100 -0.546 0.019) 0.555 4.281 ( 0.082 -0.293 -0.041) 0.307 4.411 ( 0.956 -0.332 -0.649) 1.202 4.444 ( 0.472 0.351 0.512) 0.780 4.739 ( 2.229 -0.239 0.324) 2.265 4.785 ( 2.050 -0.605 -0.277) 2.156 6.051 ( -2.116 1.014 -0.628) 2.429 6.080 ( -1.993 1.687 0.452) 2.650 6.108 ( -0.012 -0.546 0.953) 1.099 6.174 ( -0.624 -1.672 -0.710) 1.920 7.183 ( 0.589 -0.044 0.519) 0.786 7.235 ( 1.100 -0.771 -0.639) 1.488 7.612 ( -0.909 0.233 0.003) 0.938 7.615 ( -1.000 0.192 -0.054) 1.020 12.069 ( -0.782 0.410 0.325) 0.941 12.107 ( -0.126 -0.724 0.366) 0.821 12.145 ( 0.071 -0.166 -1.348) 1.360 12.229 ( -0.814 2.740 -1.540) 3.246 12.284 ( 0.511 -3.909 2.107) 4.470 12.528 ( 0.747 0.421 -0.354) 0.927 12.614 ( 0.589 0.579 0.186) 0.846 12.626 ( 0.196 0.202 0.045) 0.285 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 0.000 0.000) 0.000 0.826 ( -0.000 0.000 0.000) 0.000 1.054 ( -0.000 -0.000 -0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.205 ( -0.000 0.000 -0.000) 0.000 1.223 ( -0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.304 ( -0.000 -0.000 -0.000) 0.000 1.433 ( -0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 -0.000) 0.000 1.595 ( -0.000 0.000 -0.000) 0.000 1.731 ( -0.000 0.000 0.000) 0.000 1.901 ( -0.000 0.000 0.000) 0.000 2.019 ( -0.000 0.000 0.000) 0.000 2.117 ( -0.000 0.000 0.000) 0.000 2.163 ( -0.000 0.000 -0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.347 ( -0.000 0.000 0.000) 0.000 2.407 ( -0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 2.698 ( -0.000 0.000 0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 3.232 ( -0.000 0.000 0.000) 0.000 3.272 ( -0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.591 ( -0.000 0.000 0.000) 0.000 4.271 ( -0.000 0.000 0.000) 0.000 4.279 ( -0.000 0.000 0.000) 0.000 4.400 ( -0.000 0.000 0.000) 0.000 4.442 ( -0.000 0.000 0.000) 0.000 4.718 ( -0.000 0.000 0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 6.076 ( -0.000 0.000 -0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.114 ( -0.000 0.000 0.000) 0.000 6.166 ( -0.000 0.000 0.000) 0.000 7.180 ( -0.000 0.000 0.000) 0.000 7.220 ( -0.000 0.000 0.000) 0.000 7.620 ( -0.000 0.000 0.000) 0.000 7.624 ( -0.000 0.000 0.000) 0.000 12.077 ( -0.000 0.000 0.000) 0.000 12.109 ( -0.000 0.000 0.000) 0.000 12.138 ( -0.000 0.000 0.000) 0.000 12.252 ( -0.000 0.000 -0.000) 0.000 12.262 ( -0.000 -0.000 0.000) 0.000 12.522 ( -0.000 0.000 0.000) 0.000 12.612 ( -0.000 0.000 0.000) 0.000 12.625 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.095 ( -0.000 -0.000 11.229) 11.229 0.105 ( -0.000 -0.000 12.137) 12.137 0.204 ( -0.000 -0.000 23.829) 23.829 0.314 ( -0.000 -0.000 9.690) 9.690 0.745 ( 0.000 0.000 -2.176) 2.176 0.753 ( 0.000 0.000 -3.142) 3.142 1.196 ( 0.000 0.000 -4.678) 4.678 1.219 ( -0.000 -0.000 1.781) 1.781 1.265 ( 0.000 0.000 -2.413) 2.413 1.369 ( 0.000 0.000 -0.285) 0.285 1.712 ( -0.000 -0.000 0.541) 0.541 1.930 ( -0.000 -0.000 1.605) 1.605 1.948 ( 0.000 0.000 -0.421) 0.421 1.993 ( 0.000 0.000 -0.114) 0.114 2.057 ( -0.000 -0.000 0.757) 0.757 2.142 ( 0.000 0.000 -1.596) 1.596 2.163 ( 0.000 0.000 -8.273) 8.273 2.272 ( -0.000 -0.000 0.833) 0.833 2.337 ( 0.000 0.000 -4.467) 4.467 2.373 ( 0.000 0.000 -0.368) 0.368 2.408 ( -0.000 -0.000 3.290) 3.290 2.461 ( -0.000 -0.000 6.789) 6.789 2.500 ( 0.000 0.000 -0.143) 0.143 2.781 ( 0.000 0.000 -0.880) 0.880 4.308 ( -0.000 -0.000 0.139) 0.139 4.335 ( 0.000 0.000 -0.184) 0.184 4.399 ( -0.000 -0.000 0.031) 0.031 4.421 ( 0.000 0.000 -0.747) 0.747 4.440 ( -0.000 -0.000 1.200) 1.200 4.547 ( 0.000 0.000 -0.592) 0.592 4.903 ( -0.000 -0.000 0.492) 0.492 4.983 ( 0.000 0.000 -0.471) 0.471 5.961 ( -0.000 -0.000 0.118) 0.118 5.970 ( -0.000 -0.000 0.012) 0.012 6.024 ( -0.000 -0.000 0.171) 0.171 6.043 ( 0.000 0.000 -0.052) 0.052 7.235 ( -0.000 -0.000 0.070) 0.070 7.241 ( -0.000 -0.000 0.007) 0.007 7.499 ( -0.000 -0.000 0.073) 0.073 7.504 ( -0.000 -0.000 0.012) 0.012 11.832 ( -0.000 -0.000 0.386) 0.386 11.976 ( 0.000 0.000 -3.359) 3.359 12.040 ( -0.000 -0.000 3.441) 3.441 12.221 ( 0.000 0.000 -0.750) 0.750 12.508 ( 0.000 0.000 -0.039) 0.039 12.516 ( 0.000 0.000 -0.148) 0.148 12.625 ( -0.000 -0.000 0.147) 0.147 12.661 ( 0.000 0.000 -0.286) 0.286 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -9.334 2.059 10.035) 13.859 0.367 ( -9.579 8.261 9.926) 16.079 0.475 ( -9.466 3.308 9.072) 13.523 0.709 ( -27.919 4.253 0.822) 28.253 0.816 ( -11.809 2.097 -0.911) 12.028 1.029 ( -24.292 1.549 -4.294) 24.717 1.171 ( 1.780 -0.030 -3.988) 4.367 1.178 ( 1.731 0.857 -1.852) 2.676 1.326 ( -6.777 -4.667 -0.028) 8.229 1.427 ( -2.589 4.574 -2.123) 5.669 1.666 ( 3.510 -0.482 2.039) 4.087 1.892 ( 3.745 -2.762 -0.762) 4.715 1.987 ( 1.386 -0.352 -0.717) 1.599 2.028 ( 1.312 -1.038 -0.883) 1.892 2.056 ( -3.984 1.476 -5.266) 6.766 2.093 ( -0.969 -3.673 -0.408) 3.820 2.125 ( 0.258 0.586 -7.131) 7.159 2.298 ( -2.066 -0.112 0.867) 2.244 2.343 ( -0.108 0.750 -1.886) 2.033 2.357 ( 0.601 -0.795 0.290) 1.038 2.413 ( -1.715 -0.830 3.151) 3.682 2.472 ( -0.674 -3.093 3.995) 5.097 2.502 ( 3.422 3.812 3.037) 5.955 2.554 ( 10.063 7.425 7.679) 14.676 4.304 ( 0.287 -0.448 0.108) 0.543 4.316 ( 0.762 -0.598 0.197) 0.989 4.377 ( 3.702 -0.145 -0.187) 3.709 4.392 ( 3.927 0.075 -0.477) 3.956 4.437 ( 0.486 0.383 1.223) 1.370 4.531 ( 1.514 -0.031 -0.667) 1.655 4.888 ( 1.685 -0.296 0.482) 1.777 4.959 ( 2.072 -0.721 -0.694) 2.301 5.914 ( -0.600 -0.740 1.957) 2.176 5.967 ( 0.227 1.078 0.044) 1.102 6.055 ( -1.545 -0.237 0.211) 1.577 6.068 ( -2.620 0.909 0.337) 2.793 7.234 ( 0.750 0.022 0.207) 0.779 7.330 ( -2.142 -2.235 -3.940) 5.011 7.513 ( -1.613 0.012 -0.045) 1.613 7.519 ( -1.639 0.088 -0.022) 1.642 11.971 ( -3.731 -2.854 -2.763) 5.450 12.032 ( -4.959 -2.363 -2.196) 5.916 12.094 ( -2.252 3.706 -3.279) 5.437 12.213 ( 0.872 1.063 -1.142) 1.787 12.455 ( 2.107 -5.271 1.346) 5.834 12.534 ( 0.247 3.925 -0.717) 3.998 12.626 ( 0.027 0.088 0.188) 0.209 12.652 ( 0.751 0.019 -0.352) 0.829 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -8.115 2.583 5.650) 10.221 0.616 ( -7.679 7.113 5.261) 11.715 0.695 ( -8.702 3.018 6.747) 11.417 0.886 ( -6.696 1.879 -6.292) 9.378 1.014 ( 4.706 1.436 -2.230) 5.401 1.137 ( -0.047 1.515 -4.494) 4.743 1.217 ( -11.149 -0.209 4.637) 12.076 1.389 ( -2.975 -1.633 -1.039) 3.549 1.564 ( -5.292 -0.357 0.947) 5.388 1.599 ( -24.706 2.789 1.058) 24.885 1.641 ( -11.617 2.531 0.663) 11.908 1.790 ( 4.598 -1.836 0.069) 4.952 1.919 ( 4.517 -2.093 -1.445) 5.184 1.961 ( 3.770 0.576 -0.630) 3.865 2.020 ( 0.925 -2.355 -5.500) 6.054 2.103 ( -0.195 1.207 -5.618) 5.750 2.207 ( -8.866 -0.292 -0.039) 8.871 2.284 ( 1.670 -3.026 1.329) 3.703 2.363 ( -2.035 1.237 0.905) 2.548 2.397 ( -3.387 3.320 -1.311) 4.921 2.459 ( 0.428 -0.725 4.281) 4.363 2.481 ( -0.084 1.705 1.102) 2.032 2.498 ( -3.569 0.630 1.414) 3.890 2.510 ( 2.102 0.515 2.266) 3.134 4.271 ( 8.060 -0.210 -0.122) 8.064 4.280 ( 8.383 -0.043 -0.060) 8.383 4.296 ( 0.869 -0.599 0.067) 1.057 4.300 ( 0.909 -0.813 0.151) 1.229 4.438 ( 0.383 0.221 0.750) 0.870 4.494 ( 2.272 0.017 -0.563) 2.341 4.847 ( 2.892 -0.427 0.557) 2.976 4.902 ( 3.239 -1.030 -0.799) 3.492 5.948 ( -2.665 -0.064 0.437) 2.701 5.986 ( -1.306 1.519 0.258) 2.020 6.082 ( -1.515 -0.104 0.668) 1.659 6.123 ( -3.130 -0.436 -0.176) 3.165 7.219 ( 1.100 -0.128 0.652) 1.285 7.305 ( 1.236 -1.560 -1.833) 2.706 7.547 ( -2.190 0.193 -0.098) 2.201 7.555 ( -2.131 0.335 0.029) 2.158 12.008 ( -3.016 -1.000 -0.763) 3.268 12.078 ( -2.875 -0.967 -0.864) 3.154 12.125 ( -1.095 0.791 -0.819) 1.580 12.199 ( 1.192 1.847 -1.607) 2.723 12.387 ( 1.625 -5.415 1.163) 5.772 12.545 ( 0.998 2.599 -0.603) 2.849 12.628 ( 0.117 0.434 0.234) 0.507 12.637 ( 1.046 0.410 -0.177) 1.137 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -2.711 -0.239 -2.260) 3.538 0.762 ( -2.846 4.521 2.847) 6.054 0.866 ( -6.301 2.870 4.393) 8.200 0.970 ( -6.203 -0.131 -2.062) 6.538 1.035 ( -4.002 3.176 -1.983) 5.480 1.117 ( 1.052 2.841 -2.192) 3.740 1.342 ( -3.821 -0.913 5.482) 6.744 1.399 ( 0.165 -0.727 0.847) 1.128 1.502 ( 5.783 -0.095 2.335) 6.238 1.642 ( 6.402 -2.004 -0.389) 6.720 1.769 ( 6.279 -2.003 -2.217) 6.954 1.818 ( 3.145 0.438 -0.923) 3.307 1.934 ( -0.844 -0.059 -5.460) 5.525 2.008 ( -4.655 2.073 1.273) 5.252 2.035 ( -5.543 -0.648 0.755) 5.631 2.146 ( -6.879 1.892 -2.442) 7.540 2.271 ( -3.358 -2.434 0.192) 4.152 2.350 ( -2.353 1.034 2.743) 3.759 2.421 ( -0.879 0.400 0.049) 0.966 2.443 ( -2.503 1.749 -0.034) 3.053 2.489 ( -8.118 -1.258 0.656) 8.241 2.556 ( -9.549 0.836 -0.263) 9.589 2.588 ( -13.265 -0.532 1.093) 13.320 2.617 ( -9.079 1.979 0.476) 9.304 4.085 ( 13.319 -0.221 -0.079) 13.321 4.091 ( 13.434 -0.006 0.149) 13.435 4.282 ( 0.292 -0.922 -0.008) 0.967 4.287 ( 0.271 -0.532 0.002) 0.598 4.428 ( 0.901 -0.468 -0.333) 1.069 4.460 ( 1.608 0.523 0.260) 1.710 4.792 ( 3.237 -0.503 0.594) 3.329 4.835 ( 3.206 -0.851 -0.662) 3.382 5.999 ( -2.876 0.495 -0.293) 2.933 6.032 ( -2.153 1.865 0.484) 2.889 6.106 ( -1.054 -0.411 0.972) 1.492 6.160 ( -1.944 -1.170 -0.748) 2.389 7.202 ( 1.068 -0.210 0.909) 1.418 7.262 ( 1.599 -1.185 -1.305) 2.380 7.584 ( -1.901 0.325 -0.120) 1.932 7.590 ( -1.615 0.385 0.059) 1.661 12.047 ( -2.009 -0.180 0.504) 2.079 12.102 ( -1.420 -1.300 -1.092) 2.213 12.141 ( -0.275 0.141 -0.197) 0.367 12.194 ( 0.153 2.655 -1.591) 3.099 12.335 ( 0.917 -4.475 1.589) 4.836 12.537 ( 1.009 0.954 -0.616) 1.519 12.624 ( 0.885 0.677 0.114) 1.120 12.629 ( 0.380 0.626 0.187) 0.755 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -1.654 -1.563 -2.207) 3.170 0.815 ( -0.864 1.129 0.004) 1.422 0.988 ( -4.292 2.440 0.480) 4.960 1.069 ( 0.274 2.047 -1.133) 2.356 1.096 ( -7.887 -0.071 0.520) 7.904 1.172 ( -4.294 2.047 -0.166) 4.760 1.367 ( 3.323 -1.477 2.139) 4.219 1.384 ( 4.409 1.771 2.004) 5.157 1.437 ( 0.180 -1.434 3.631) 3.908 1.521 ( 5.906 -0.537 -0.340) 5.940 1.639 ( 4.802 -1.876 -1.738) 5.441 1.754 ( 3.225 1.083 -0.155) 3.405 1.898 ( 0.121 -1.181 -3.756) 3.939 2.017 ( 0.679 0.695 -2.457) 2.642 2.110 ( -2.136 -1.402 1.663) 3.048 2.180 ( 1.479 1.350 2.229) 2.996 2.310 ( -1.889 -1.234 -2.518) 3.382 2.359 ( 1.318 0.719 1.162) 1.898 2.413 ( 0.747 0.323 1.322) 1.552 2.464 ( -0.591 -0.332 0.236) 0.718 2.645 ( -5.663 1.100 0.957) 5.848 2.686 ( -4.427 0.831 -0.788) 4.573 2.936 ( -24.211 0.282 0.278) 24.214 2.967 ( -24.608 0.173 -0.204) 24.609 3.818 ( 17.217 -0.189 -0.048) 17.218 3.827 ( 17.268 -0.011 0.083) 17.269 4.274 ( 0.088 -0.574 0.020) 0.581 4.281 ( 0.069 -0.310 -0.043) 0.321 4.406 ( 0.655 -0.570 -0.514) 1.009 4.447 ( 0.735 0.563 0.378) 1.000 4.742 ( 2.262 -0.519 0.371) 2.350 4.782 ( 2.013 -0.306 -0.323) 2.062 6.046 ( -2.203 0.849 -0.397) 2.394 6.082 ( -1.693 1.455 0.079) 2.234 6.118 ( -0.181 -0.440 1.419) 1.497 6.167 ( -0.574 -1.356 -1.033) 1.799 7.189 ( 0.761 -0.208 0.685) 1.045 7.228 ( 0.855 -0.591 -0.805) 1.315 7.612 ( -0.973 0.281 0.008) 1.013 7.614 ( -0.923 0.211 -0.059) 0.948 12.073 ( -0.723 -0.064 0.570) 0.923 12.107 ( -0.674 -1.034 -0.459) 1.317 12.137 ( 0.056 -0.095 -0.286) 0.307 12.215 ( -0.432 3.268 -1.686) 3.702 12.301 ( 0.528 -3.645 1.839) 4.117 12.525 ( 0.441 0.097 -0.436) 0.628 12.616 ( 0.635 0.594 0.314) 0.924 12.626 ( 0.281 0.281 -0.068) 0.403 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -2.707 -5.063 -1.603) 5.961 0.836 ( 0.131 2.354 1.955) 3.063 1.056 ( -1.951 0.223 0.327) 1.991 1.069 ( 1.487 2.974 0.438) 3.354 1.206 ( 2.138 -0.500 0.224) 2.207 1.223 ( -1.214 -0.753 -0.015) 1.429 1.276 ( -1.622 -1.848 -3.045) 3.914 1.328 ( 3.759 0.966 2.895) 4.842 1.416 ( 3.349 0.289 -3.276) 4.694 1.461 ( -0.563 -0.287 -0.306) 0.702 1.608 ( -2.355 -1.116 2.511) 3.619 1.736 ( -0.056 0.749 1.065) 1.303 1.898 ( -1.915 -0.132 -0.449) 1.971 2.007 ( -0.228 0.659 -2.331) 2.433 2.116 ( 0.365 -0.421 -0.056) 0.560 2.178 ( -0.363 -2.328 3.032) 3.840 2.309 ( 0.137 0.614 -2.874) 2.942 2.351 ( 0.165 0.487 0.518) 0.730 2.414 ( 0.341 0.313 1.390) 1.465 2.463 ( 0.379 -0.059 -0.531) 0.655 2.698 ( 0.392 -0.254 0.072) 0.473 2.728 ( -0.370 0.018 -0.073) 0.378 3.232 ( 0.045 -0.315 0.024) 0.320 3.272 ( -0.026 0.367 -0.023) 0.369 3.588 ( -0.098 0.003 -0.001) 0.098 3.591 ( 0.135 0.037 0.001) 0.140 4.271 ( 0.000 -0.033 -0.001) 0.033 4.279 ( -0.031 -0.006 0.002) 0.031 4.400 ( -0.447 -0.286 0.007) 0.530 4.442 ( 0.351 0.274 -0.009) 0.446 4.718 ( 0.050 -0.308 0.009) 0.312 4.764 ( -0.004 0.315 -0.007) 0.315 6.077 ( -0.494 0.250 0.208) 0.591 6.097 ( -0.186 -0.324 -0.560) 0.673 6.116 ( 1.074 -0.769 0.405) 1.381 6.166 ( -0.351 0.916 -0.053) 0.983 7.180 ( 0.233 -0.209 0.000) 0.313 7.220 ( -0.277 0.226 0.000) 0.357 7.620 ( 0.019 -0.017 -0.004) 0.026 7.624 ( -0.023 0.080 0.003) 0.083 12.079 ( -0.021 -0.413 0.384) 0.564 12.103 ( -0.066 -0.580 -1.158) 1.297 12.145 ( -0.416 0.324 1.430) 1.524 12.238 ( -0.124 3.825 -2.014) 4.324 12.273 ( 0.662 -3.132 1.409) 3.498 12.522 ( -0.341 -0.293 -0.076) 0.456 12.612 ( 0.157 -0.028 0.099) 0.188 12.625 ( -0.011 0.061 -0.073) 0.096 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -3.844 -5.488 -0.134) 6.702 0.835 ( 4.061 1.797 1.453) 4.673 1.000 ( 9.101 -3.392 1.431) 9.817 1.068 ( 4.370 1.365 -0.506) 4.606 1.088 ( -1.126 -1.882 -0.564) 2.265 1.199 ( 4.662 -0.551 3.539) 5.879 1.292 ( 0.962 0.989 -6.455) 6.601 1.356 ( -1.512 0.562 -1.118) 1.962 1.384 ( -5.261 -0.796 -1.199) 5.454 1.514 ( -5.545 0.333 -0.489) 5.577 1.692 ( -5.829 0.224 2.888) 6.509 1.770 ( -2.707 0.612 0.823) 2.895 1.951 ( -3.033 0.677 2.634) 4.073 2.016 ( -1.153 1.250 -2.917) 3.376 2.096 ( 1.952 -1.308 0.672) 2.443 2.179 ( -1.466 -4.102 1.289) 4.543 2.293 ( 1.407 1.774 -2.463) 3.346 2.364 ( -0.200 1.368 0.377) 1.433 2.414 ( 0.436 -0.449 1.683) 1.796 2.447 ( 0.786 0.108 -1.662) 1.842 2.634 ( 5.895 -1.546 -0.334) 6.104 2.695 ( 3.925 -0.878 0.230) 4.028 2.932 ( 24.161 -0.867 -0.103) 24.177 2.969 ( 25.018 0.631 0.064) 25.026 3.819 ( -17.260 0.104 0.049) 17.260 3.825 ( -17.171 0.118 -0.070) 17.172 4.273 ( -0.109 0.524 -0.012) 0.535 4.282 ( -0.093 0.278 0.025) 0.294 4.417 ( -1.414 0.028 0.567) 1.524 4.439 ( -0.046 -0.067 -0.482) 0.489 4.736 ( -2.207 0.054 -0.183) 2.215 4.787 ( -2.075 0.806 0.155) 2.232 6.057 ( 2.013 -1.237 0.846) 2.510 6.074 ( 2.160 -1.657 -0.891) 2.865 6.102 ( -0.014 0.541 -0.357) 0.649 6.179 ( 0.660 1.890 0.360) 2.034 7.180 ( -0.497 -0.053 -0.274) 0.570 7.239 ( -1.252 0.882 0.349) 1.571 7.612 ( 0.870 -0.198 -0.001) 0.892 7.615 ( 1.049 -0.174 0.032) 1.064 12.067 ( 0.853 -0.808 -0.138) 1.183 12.103 ( -0.367 0.725 -0.336) 0.879 12.157 ( 0.099 -0.207 1.176) 1.198 12.240 ( 0.877 -2.235 1.113) 2.646 12.267 ( -0.407 4.242 -1.729) 4.599 12.531 ( -1.015 -0.704 0.179) 1.248 12.613 ( -0.531 -0.546 -0.062) 0.764 12.626 ( -0.127 -0.141 -0.071) 0.203 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.312 -3.630 2.823) 5.147 0.707 ( 7.076 -4.221 -3.080) 8.796 0.811 ( 8.696 -3.169 -1.269) 9.342 0.992 ( 2.597 -1.251 0.368) 2.906 1.087 ( 4.726 -1.648 2.182) 5.460 1.153 ( -1.415 -1.555 2.057) 2.941 1.237 ( 2.537 1.543 -4.534) 5.420 1.388 ( -1.407 0.989 -0.246) 1.737 1.480 ( -5.882 -0.242 -0.415) 5.902 1.638 ( -7.125 2.433 -0.207) 7.532 1.817 ( -6.020 1.206 2.018) 6.463 1.831 ( -1.984 0.833 -0.090) 2.153 1.972 ( 7.978 -1.498 -1.209) 8.207 1.999 ( 4.010 -1.614 1.093) 4.458 2.044 ( 0.122 -0.678 0.868) 1.108 2.180 ( -1.105 -3.169 0.943) 3.486 2.251 ( 6.229 3.949 -1.162) 7.467 2.324 ( 5.030 0.570 -0.316) 5.072 2.424 ( -1.803 0.036 0.233) 1.819 2.437 ( 0.437 -1.826 -0.412) 1.922 2.480 ( 10.026 -0.717 -0.237) 10.054 2.559 ( 11.002 -1.096 0.010) 11.057 2.576 ( 17.617 1.058 -0.199) 17.650 2.611 ( 7.261 -1.783 -0.176) 7.479 4.087 ( -13.377 0.145 0.152) 13.378 4.088 ( -13.381 0.095 -0.174) 13.383 4.283 ( -0.353 0.904 0.003) 0.970 4.287 ( -0.201 0.464 -0.003) 0.506 4.433 ( -0.007 -0.111 0.135) 0.175 4.456 ( -2.398 -0.032 -0.110) 2.401 4.786 ( -3.262 0.301 -0.134) 3.278 4.842 ( -3.306 1.100 0.155) 3.488 6.004 ( 3.324 -0.907 0.227) 3.452 6.023 ( 1.878 -1.646 -0.318) 2.517 6.096 ( 0.895 0.161 -0.197) 0.931 6.167 ( 2.275 1.420 0.156) 2.687 7.193 ( -1.085 0.054 -0.188) 1.103 7.276 ( -1.884 1.422 0.313) 2.381 7.587 ( 1.896 -0.330 0.117) 1.928 7.589 ( 1.679 -0.255 -0.098) 1.701 12.043 ( 1.479 -0.090 -0.081) 1.484 12.113 ( 0.586 0.911 0.194) 1.101 12.143 ( 0.988 -0.535 0.061) 1.125 12.221 ( -0.262 -2.322 0.842) 2.484 12.310 ( -0.963 5.626 -0.736) 5.755 12.544 ( -1.388 -1.611 0.180) 2.134 12.622 ( -1.049 -0.632 -0.014) 1.225 12.626 ( -0.070 -0.210 -0.094) 0.241 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 12.026 -6.481 0.000) 13.661 0.582 ( 9.069 -6.730 -0.000) 11.293 0.625 ( 10.521 -2.969 0.000) 10.932 0.961 ( 7.288 -2.786 0.000) 7.803 1.028 ( -6.724 -0.073 -0.000) 6.724 1.151 ( 11.144 0.316 0.000) 11.148 1.188 ( -2.295 -1.279 -0.000) 2.627 1.398 ( 2.603 1.794 0.000) 3.162 1.553 ( 5.561 1.837 0.000) 5.857 1.586 ( 17.685 -3.089 0.000) 17.953 1.641 ( 20.605 -3.380 0.000) 20.881 1.787 ( -5.992 2.330 -0.000) 6.429 1.944 ( -5.731 0.521 -0.000) 5.754 1.949 ( -3.618 0.049 -0.000) 3.619 2.074 ( -0.736 2.770 0.000) 2.866 2.185 ( -1.116 -2.945 -0.000) 3.150 2.249 ( -2.815 3.658 0.000) 4.616 2.265 ( 9.321 0.358 0.000) 9.328 2.291 ( 0.695 0.308 0.000) 0.760 2.392 ( 6.760 0.044 0.000) 6.760 2.449 ( 1.587 1.524 0.000) 2.200 2.464 ( -3.494 -5.010 -0.000) 6.108 2.470 ( 0.715 -1.312 -0.000) 1.494 2.497 ( 3.539 -2.025 0.000) 4.077 4.272 ( -8.449 0.061 -0.000) 8.450 4.280 ( -8.737 0.213 -0.000) 8.739 4.295 ( -0.324 0.489 0.000) 0.586 4.298 ( -0.791 0.895 0.000) 1.194 4.431 ( -0.025 -0.368 -0.000) 0.369 4.499 ( -2.473 0.035 -0.000) 2.473 4.843 ( -2.933 0.337 -0.000) 2.952 4.909 ( -3.292 1.115 -0.000) 3.476 5.943 ( 3.135 -0.384 0.000) 3.158 5.984 ( 1.188 -1.369 -0.000) 1.813 6.076 ( 1.318 -0.195 0.000) 1.332 6.125 ( 3.473 0.588 0.000) 3.523 7.214 ( -1.279 0.006 -0.000) 1.279 7.323 ( -1.782 2.053 0.000) 2.719 7.549 ( 2.217 -0.213 0.000) 2.227 7.554 ( 2.139 -0.155 0.000) 2.144 12.018 ( 1.943 1.436 0.000) 2.416 12.075 ( 2.994 -0.752 0.000) 3.087 12.144 ( -0.145 0.960 0.000) 0.971 12.218 ( -0.913 -1.937 -0.000) 2.142 12.373 ( -1.356 6.142 0.000) 6.290 12.551 ( -1.315 -3.167 -0.000) 3.429 12.625 ( -0.007 -0.101 -0.000) 0.101 12.638 ( -1.155 -0.284 -0.000) 1.190 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.191 ( -0.000 -0.000 11.195) 11.195 0.206 ( -0.000 -0.000 11.623) 11.623 0.406 ( -0.000 -0.000 23.311) 23.311 0.417 ( -0.000 -0.000 13.645) 13.645 0.715 ( 0.000 0.000 -5.599) 5.599 0.719 ( 0.000 0.000 -3.867) 3.867 1.138 ( 0.000 0.000 -8.546) 8.546 1.233 ( 0.000 0.000 -5.324) 5.324 1.240 ( -0.000 -0.000 2.947) 2.947 1.365 ( 0.000 0.000 -0.705) 0.705 1.720 ( -0.000 -0.000 1.208) 1.208 1.940 ( 0.000 0.000 -1.899) 1.899 1.948 ( -0.000 -0.000 2.197) 2.197 1.992 ( 0.000 0.000 -0.211) 0.211 2.068 ( -0.000 -0.000 1.863) 1.863 2.086 ( 0.000 0.000 -8.669) 8.669 2.123 ( 0.000 0.000 -2.833) 2.833 2.282 ( -0.000 -0.000 1.522) 1.522 2.296 ( 0.000 0.000 -4.957) 4.957 2.368 ( 0.000 0.000 -0.762) 0.762 2.434 ( -0.000 -0.000 2.711) 2.711 2.498 ( 0.000 0.000 -0.305) 0.305 2.525 ( -0.000 -0.000 7.696) 7.696 2.770 ( 0.000 0.000 -1.781) 1.781 4.310 ( -0.000 -0.000 0.270) 0.270 4.333 ( 0.000 0.000 -0.343) 0.343 4.400 ( -0.000 -0.000 0.069) 0.069 4.415 ( 0.000 0.000 -0.625) 0.625 4.452 ( -0.000 -0.000 1.504) 1.504 4.540 ( 0.000 0.000 -1.122) 1.122 4.909 ( -0.000 -0.000 0.932) 0.932 4.977 ( 0.000 0.000 -0.897) 0.897 5.962 ( -0.000 -0.000 0.207) 0.207 5.970 ( -0.000 -0.000 0.002) 0.002 6.027 ( -0.000 -0.000 0.308) 0.308 6.042 ( 0.000 0.000 -0.116) 0.116 7.236 ( -0.000 -0.000 0.123) 0.123 7.241 ( -0.000 -0.000 0.003) 0.003 7.500 ( -0.000 -0.000 0.126) 0.126 7.504 ( -0.000 -0.000 0.011) 0.011 11.837 ( -0.000 -0.000 0.796) 0.796 11.947 ( 0.000 0.000 -3.286) 3.286 12.070 ( -0.000 -0.000 3.483) 3.483 12.211 ( 0.000 0.000 -1.447) 1.447 12.507 ( 0.000 0.000 -0.049) 0.049 12.515 ( 0.000 0.000 -0.252) 0.252 12.627 ( -0.000 -0.000 0.296) 0.296 12.657 ( 0.000 0.000 -0.522) 0.522 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -10.336 3.491 7.324) 13.140 0.485 ( -5.584 3.845 15.043) 16.500 0.565 ( -7.768 2.582 11.509) 14.123 0.704 ( -12.622 3.968 -2.404) 13.448 0.824 ( -23.433 2.188 3.464) 23.788 0.986 ( -20.440 1.531 -5.616) 21.253 1.115 ( -0.914 0.381 -8.029) 8.090 1.164 ( -1.996 1.059 -2.695) 3.516 1.328 ( -6.726 -2.889 0.582) 7.344 1.409 ( -3.540 3.709 -2.095) 5.539 1.686 ( 3.511 -0.452 2.632) 4.411 1.881 ( 3.615 -2.324 -2.133) 4.798 1.975 ( 1.728 -0.580 -2.654) 3.220 2.001 ( -2.132 0.273 -3.319) 3.954 2.030 ( 2.998 -2.769 -2.404) 4.736 2.069 ( 0.402 1.728 -3.494) 3.918 2.111 ( -3.501 -1.840 2.472) 4.664 2.304 ( -1.839 0.681 -1.376) 2.395 2.314 ( -1.999 1.964 -1.938) 3.407 2.360 ( 0.811 -1.257 0.035) 1.496 2.435 ( -0.281 0.047 2.023) 2.043 2.484 ( 0.430 0.343 0.303) 0.628 2.546 ( 2.213 0.503 5.720) 6.154 2.612 ( 10.133 2.201 5.221) 11.610 4.306 ( 0.348 -0.538 0.221) 0.678 4.317 ( 0.849 -0.581 0.002) 1.029 4.376 ( 3.547 -0.142 -0.129) 3.552 4.387 ( 3.658 0.241 -0.459) 3.694 4.450 ( 0.739 0.326 1.611) 1.802 4.523 ( 1.359 -0.017 -1.180) 1.800 4.894 ( 1.786 -0.408 0.940) 2.059 4.951 ( 2.070 -0.698 -1.083) 2.438 5.930 ( 0.015 -1.220 1.528) 1.955 5.967 ( 0.180 1.126 0.048) 1.142 6.057 ( -2.103 -0.666 0.199) 2.214 6.071 ( -2.369 1.040 0.359) 2.613 7.237 ( 0.478 -0.094 0.347) 0.599 7.298 ( -2.676 -0.813 -3.235) 4.276 7.513 ( -1.503 0.062 0.079) 1.507 7.519 ( -1.609 0.116 -0.067) 1.614 11.949 ( -4.843 -2.444 -2.464) 5.958 11.993 ( -6.765 0.871 -4.910) 8.404 12.096 ( -0.543 1.943 2.251) 3.023 12.201 ( 0.831 0.962 -1.643) 2.078 12.464 ( 2.233 -4.601 0.752) 5.170 12.528 ( 0.006 3.261 -0.573) 3.311 12.628 ( 0.082 0.142 0.287) 0.330 12.649 ( 0.679 0.055 -0.503) 0.847 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -5.476 0.251 5.071) 7.467 0.673 ( -5.226 6.683 7.218) 11.139 0.757 ( -6.972 2.526 7.421) 10.491 0.835 ( -7.151 2.151 -5.159) 9.076 0.989 ( 2.620 1.954 -3.329) 4.665 1.090 ( -0.732 1.973 -6.258) 6.602 1.256 ( -11.977 -0.406 4.451) 12.784 1.378 ( -3.605 -1.215 -1.511) 4.093 1.572 ( -6.791 0.783 0.725) 6.874 1.604 ( -27.903 3.296 0.075) 28.097 1.656 ( -5.113 1.216 2.907) 6.006 1.787 ( 2.852 -1.273 -0.987) 3.275 1.906 ( 3.524 -2.174 -1.767) 4.502 1.938 ( 2.153 -2.656 -3.991) 5.255 1.990 ( 1.713 0.327 -1.468) 2.279 2.059 ( -0.052 1.314 -4.478) 4.667 2.216 ( -7.871 -0.775 1.783) 8.107 2.293 ( 1.237 -3.013 0.692) 3.329 2.353 ( -2.132 1.752 -2.582) 3.779 2.395 ( -3.990 3.064 0.708) 5.080 2.479 ( 1.834 3.007 0.822) 3.617 2.492 ( -3.786 1.683 0.684) 4.200 2.518 ( 1.039 -1.675 3.570) 4.078 2.531 ( 2.222 -1.409 2.400) 3.561 4.270 ( 7.912 -0.284 -0.066) 7.917 4.280 ( 8.049 0.037 -0.098) 8.050 4.296 ( 0.992 -0.724 0.085) 1.231 4.301 ( 1.182 -0.697 0.095) 1.375 4.446 ( 0.797 0.032 0.968) 1.254 4.489 ( 1.977 0.130 -0.788) 2.132 4.853 ( 2.907 -0.539 0.857) 3.079 4.894 ( 3.171 -0.926 -1.078) 3.475 5.951 ( -2.327 -0.368 0.352) 2.382 5.989 ( -1.397 1.608 0.250) 2.144 6.088 ( -1.834 -0.451 0.763) 2.037 6.122 ( -2.712 -0.225 -0.257) 2.734 7.226 ( 0.876 -0.303 0.962) 1.336 7.288 ( 0.944 -1.088 -2.061) 2.514 7.546 ( -2.135 0.193 -0.033) 2.144 7.555 ( -2.147 0.447 -0.026) 2.193 12.003 ( -3.798 -0.966 -0.450) 3.945 12.062 ( -3.678 -1.035 -2.521) 4.578 12.127 ( -0.657 1.306 1.047) 1.798 12.185 ( 1.183 1.729 -1.565) 2.615 12.396 ( 1.644 -4.977 0.895) 5.317 12.540 ( 0.844 2.219 -0.544) 2.436 12.629 ( 0.213 0.556 0.173) 0.620 12.635 ( 0.900 0.578 -0.166) 1.082 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -1.741 -2.209 -1.589) 3.231 0.782 ( -1.080 4.104 1.782) 4.603 0.903 ( -5.109 2.526 4.082) 7.011 0.954 ( -7.777 0.393 -1.428) 7.917 1.024 ( -3.007 3.032 -0.874) 4.359 1.098 ( -1.017 3.816 -2.236) 4.539 1.380 ( -3.476 -0.732 3.372) 4.898 1.406 ( -0.821 -0.468 0.738) 1.200 1.527 ( 5.494 -0.357 3.247) 6.392 1.630 ( 5.880 -1.472 -2.348) 6.500 1.759 ( 6.857 -1.906 -0.144) 7.118 1.814 ( 3.342 0.366 0.078) 3.363 1.889 ( -0.534 -1.383 -4.980) 5.196 2.006 ( -0.396 1.694 -1.222) 2.126 2.052 ( -8.680 0.022 2.652) 9.076 2.126 ( -11.178 1.634 -2.318) 11.532 2.270 ( -0.875 -1.909 -0.347) 2.129 2.374 ( -2.591 1.212 2.683) 3.922 2.423 ( -3.137 0.431 0.230) 3.175 2.440 ( -3.375 2.144 -0.660) 4.052 2.494 ( -7.117 -2.611 0.455) 7.595 2.554 ( -8.087 1.147 -0.214) 8.171 2.597 ( -11.420 -0.481 0.960) 11.470 2.621 ( -9.761 2.094 0.351) 9.990 4.084 ( 13.305 -0.246 -0.045) 13.307 4.092 ( 13.443 0.026 0.101) 13.443 4.282 ( 0.263 -0.936 -0.006) 0.972 4.287 ( 0.304 -0.570 -0.002) 0.646 4.426 ( 1.247 -0.718 -0.242) 1.459 4.462 ( 1.326 0.715 0.187) 1.518 4.798 ( 3.259 -0.724 0.679) 3.407 4.829 ( 3.109 -0.600 -0.734) 3.250 5.997 ( -2.767 0.324 -0.171) 2.791 6.035 ( -2.142 1.902 0.281) 2.878 6.116 ( -1.291 -0.642 1.173) 1.859 6.152 ( -1.621 -0.921 -0.953) 2.094 7.212 ( 1.069 -0.361 1.217) 1.659 7.250 ( 1.418 -0.984 -1.534) 2.309 7.584 ( -1.894 0.345 -0.074) 1.927 7.591 ( -1.586 0.440 0.024) 1.646 12.053 ( -2.416 -0.488 0.754) 2.578 12.092 ( -1.893 -1.302 -1.360) 2.669 12.139 ( 0.082 -0.071 -0.158) 0.191 12.183 ( 0.318 3.067 -0.968) 3.232 12.347 ( 0.787 -4.119 1.159) 4.351 12.532 ( 0.856 0.627 -0.526) 1.184 12.624 ( 0.653 0.573 0.109) 0.876 12.630 ( 0.641 0.944 0.115) 1.147 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -3.312 -4.589 -1.865) 5.959 0.819 ( -0.590 2.294 0.518) 2.425 0.997 ( -2.859 2.816 1.350) 4.234 1.055 ( -0.057 2.368 -1.827) 2.992 1.100 ( -8.949 -0.454 0.452) 8.972 1.172 ( -3.350 2.559 0.157) 4.218 1.383 ( 4.407 -0.733 1.654) 4.764 1.397 ( 3.523 0.941 0.821) 3.738 1.462 ( 2.045 -1.406 2.596) 3.591 1.510 ( 5.507 -0.807 -2.276) 6.013 1.635 ( 4.012 -2.131 0.545) 4.576 1.759 ( 3.141 1.434 1.112) 3.627 1.867 ( -1.366 -1.502 -3.293) 3.869 1.997 ( 0.733 1.035 -2.055) 2.415 2.120 ( -1.329 -1.683 0.698) 2.255 2.207 ( 0.289 -0.188 3.863) 3.879 2.280 ( -1.676 -0.307 -3.932) 4.285 2.369 ( 2.110 1.058 0.879) 2.518 2.425 ( 0.718 0.057 1.403) 1.577 2.463 ( -0.632 -0.300 -0.308) 0.764 2.654 ( -5.431 0.813 1.069) 5.594 2.678 ( -4.782 0.898 -0.963) 4.960 2.938 ( -24.239 -0.107 0.222) 24.240 2.965 ( -24.406 0.657 -0.172) 24.416 3.818 ( 17.207 -0.215 -0.026) 17.209 3.827 ( 17.302 0.024 0.047) 17.302 4.274 ( 0.079 -0.598 0.013) 0.603 4.281 ( 0.057 -0.323 -0.027) 0.329 4.403 ( 0.480 -0.722 -0.279) 0.911 4.450 ( 0.880 0.691 0.195) 1.136 4.745 ( 2.297 -0.817 0.264) 2.452 4.780 ( 1.973 0.009 -0.235) 1.987 6.044 ( -2.267 0.745 -0.188) 2.394 6.082 ( -1.483 1.272 -0.026) 1.954 6.131 ( -0.297 -0.493 1.562) 1.665 6.157 ( -0.529 -0.995 -1.306) 1.725 7.195 ( 1.042 -0.442 0.638) 1.299 7.222 ( 0.516 -0.343 -0.712) 0.944 7.612 ( -1.061 0.327 0.010) 1.110 7.614 ( -0.825 0.217 -0.042) 0.854 12.079 ( -0.697 -0.465 0.819) 1.172 12.099 ( -0.739 -1.251 -1.131) 1.841 12.140 ( -0.576 -0.136 0.525) 0.791 12.202 ( 0.154 3.810 -1.262) 4.017 12.314 ( 0.529 -3.468 1.074) 3.669 12.521 ( 0.213 -0.146 -0.313) 0.405 12.619 ( 0.654 0.572 0.363) 0.941 12.625 ( 0.349 0.360 -0.206) 0.543 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -4.061 -7.410 -0.864) 8.493 0.851 ( -0.201 2.825 1.069) 3.028 1.059 ( -1.322 -0.370 0.334) 1.413 1.072 ( 0.256 6.244 0.227) 6.253 1.210 ( 1.151 -1.184 0.796) 1.834 1.221 ( 2.114 -1.382 -0.651) 2.608 1.255 ( -1.936 -2.131 -1.498) 3.246 1.352 ( 3.302 0.549 2.562) 4.216 1.388 ( 5.494 0.496 -2.916) 6.239 1.458 ( -0.939 -0.434 -0.358) 1.094 1.627 ( -3.285 -1.788 1.432) 4.005 1.745 ( 0.276 1.423 0.624) 1.578 1.895 ( -3.600 -0.445 -0.195) 3.632 1.988 ( 0.136 1.032 -1.415) 1.757 2.116 ( 0.191 -0.951 0.037) 0.971 2.204 ( -0.586 -4.362 2.276) 4.955 2.285 ( 0.380 2.132 -2.112) 3.025 2.354 ( 0.436 0.723 0.128) 0.854 2.425 ( 0.261 0.534 0.959) 1.128 2.458 ( 0.753 -0.173 -0.517) 0.930 2.698 ( 0.662 -0.420 0.046) 0.786 2.727 ( -0.627 0.039 -0.047) 0.630 3.233 ( 0.074 -0.516 0.015) 0.521 3.272 ( -0.043 0.600 -0.015) 0.602 3.588 ( -0.157 0.005 -0.000) 0.157 3.591 ( 0.217 0.060 0.000) 0.226 4.271 ( 0.000 -0.054 -0.001) 0.054 4.279 ( -0.050 -0.009 0.001) 0.051 4.400 ( -0.725 -0.464 0.005) 0.861 4.442 ( 0.570 0.445 -0.006) 0.723 4.718 ( 0.081 -0.499 0.005) 0.506 4.764 ( -0.006 0.511 -0.004) 0.511 6.079 ( -1.055 0.620 0.193) 1.239 6.092 ( 0.228 -0.813 -0.351) 0.915 6.119 ( 1.485 -1.213 0.192) 1.927 6.166 ( -0.589 1.524 -0.034) 1.634 7.180 ( 0.377 -0.338 0.000) 0.507 7.220 ( -0.448 0.366 0.000) 0.578 7.620 ( 0.030 -0.026 -0.002) 0.040 7.624 ( -0.036 0.128 0.002) 0.133 12.083 ( 0.051 -0.956 0.640) 1.152 12.093 ( -0.230 -0.346 -0.966) 1.052 12.156 ( -0.773 -0.111 0.873) 1.171 12.224 ( 0.211 4.566 -1.044) 4.688 12.282 ( 0.800 -3.114 0.530) 3.258 12.521 ( -0.552 -0.474 -0.047) 0.729 12.613 ( 0.265 -0.061 0.068) 0.280 12.624 ( -0.030 0.112 -0.052) 0.127 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -4.761 -6.377 -0.000) 7.959 0.842 ( 4.695 1.947 0.000) 5.082 1.008 ( 10.938 -4.399 0.000) 11.789 1.066 ( 4.867 2.911 0.000) 5.671 1.085 ( -3.044 -2.353 -0.000) 3.847 1.238 ( -0.341 0.357 0.000) 0.494 1.239 ( 6.359 0.277 0.000) 6.365 1.351 ( -1.183 1.096 0.000) 1.613 1.379 ( -6.158 -1.278 -0.000) 6.289 1.512 ( -5.522 0.274 -0.000) 5.528 1.706 ( -6.087 -0.291 -0.000) 6.094 1.774 ( -2.314 1.251 -0.000) 2.631 1.968 ( -4.479 0.002 -0.000) 4.479 1.997 ( -0.128 1.968 0.000) 1.973 2.100 ( 1.303 -1.857 -0.000) 2.268 2.186 ( -1.081 -4.812 -0.000) 4.932 2.281 ( 1.526 2.321 0.000) 2.778 2.366 ( -0.315 1.590 0.000) 1.621 2.431 ( 0.761 -0.124 0.000) 0.771 2.431 ( 0.843 -0.155 0.000) 0.857 2.633 ( 5.922 -1.616 0.000) 6.139 2.696 ( 3.853 -0.892 0.000) 3.955 2.932 ( 24.152 -0.948 0.000) 24.170 2.969 ( 25.087 0.751 0.000) 25.098 3.820 ( -17.275 0.080 -0.000) 17.275 3.825 ( -17.147 0.146 -0.000) 17.147 4.273 ( -0.113 0.515 0.000) 0.527 4.282 ( -0.096 0.272 0.000) 0.289 4.419 ( -1.794 -0.183 -0.000) 1.803 4.437 ( 0.321 0.136 0.000) 0.349 4.736 ( -2.199 -0.011 -0.000) 2.199 4.788 ( -2.084 0.876 -0.000) 2.261 6.064 ( 1.498 -1.657 -0.000) 2.234 6.066 ( 2.643 -1.244 0.000) 2.921 6.101 ( 0.033 0.478 0.000) 0.480 6.180 ( 0.673 1.967 0.000) 2.079 7.179 ( -0.467 -0.085 -0.000) 0.475 7.240 ( -1.304 0.919 0.000) 1.596 7.612 ( 0.857 -0.185 0.000) 0.877 7.615 ( 1.065 -0.167 0.000) 1.078 12.067 ( 0.888 -0.969 -0.000) 1.314 12.102 ( -0.542 0.773 0.000) 0.944 12.162 ( 0.188 -0.521 -0.000) 0.554 12.247 ( 0.762 -2.757 -0.000) 2.861 12.258 ( -0.273 5.217 0.000) 5.224 12.531 ( -1.123 -0.817 -0.000) 1.389 12.613 ( -0.505 -0.530 -0.000) 0.732 12.625 ( -0.100 -0.117 -0.000) 0.154 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.000 -0.000 10.584) 10.584 0.302 ( -0.000 -0.000 10.548) 10.548 0.534 ( -0.000 -0.000 12.570) 12.570 0.601 ( -0.000 -0.000 22.230) 22.230 0.660 ( 0.000 0.000 -7.048) 7.048 0.685 ( 0.000 0.000 -3.002) 3.002 1.052 ( 0.000 0.000 -11.365) 11.365 1.172 ( 0.000 0.000 -9.039) 9.039 1.267 ( -0.000 -0.000 3.373) 3.373 1.356 ( 0.000 0.000 -1.306) 1.306 1.734 ( -0.000 -0.000 2.149) 2.149 1.907 ( 0.000 0.000 -5.898) 5.898 1.965 ( -0.000 -0.000 1.720) 1.720 1.990 ( 0.000 0.000 -0.289) 0.289 2.033 ( 0.000 0.000 -3.318) 3.318 2.090 ( -0.000 -0.000 3.285) 3.285 2.095 ( 0.000 0.000 -3.456) 3.456 2.253 ( 0.000 0.000 -5.207) 5.207 2.298 ( -0.000 -0.000 1.959) 1.959 2.360 ( 0.000 0.000 -1.193) 1.193 2.454 ( -0.000 -0.000 2.097) 2.097 2.494 ( 0.000 0.000 -0.508) 0.508 2.588 ( -0.000 -0.000 6.916) 6.916 2.751 ( 0.000 0.000 -2.715) 2.715 4.313 ( -0.000 -0.000 0.386) 0.386 4.329 ( 0.000 0.000 -0.458) 0.458 4.401 ( -0.000 -0.000 0.122) 0.122 4.410 ( 0.000 0.000 -0.492) 0.492 4.466 ( -0.000 -0.000 1.737) 1.737 4.528 ( 0.000 0.000 -1.541) 1.541 4.918 ( -0.000 -0.000 1.275) 1.275 4.968 ( 0.000 0.000 -1.239) 1.239 5.964 ( -0.000 -0.000 0.247) 0.247 5.970 ( 0.000 0.000 -0.038) 0.038 6.030 ( -0.000 -0.000 0.387) 0.387 6.041 ( 0.000 0.000 -0.196) 0.196 7.237 ( -0.000 -0.000 0.145) 0.145 7.241 ( 0.000 0.000 -0.020) 0.020 7.501 ( -0.000 -0.000 0.148) 0.148 7.504 ( 0.000 0.000 -0.011) 0.011 11.846 ( -0.000 -0.000 1.239) 1.239 11.920 ( 0.000 0.000 -3.016) 3.016 12.099 ( -0.000 -0.000 3.373) 3.373 12.196 ( 0.000 0.000 -2.051) 2.051 12.507 ( 0.000 0.000 -0.014) 0.014 12.512 ( 0.000 0.000 -0.285) 0.285 12.630 ( -0.000 -0.000 0.446) 0.446 12.652 ( 0.000 0.000 -0.673) 0.673 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -9.034 3.398 7.971) 12.518 0.593 ( -8.612 1.916 7.482) 11.568 0.664 ( -6.354 1.810 10.911) 12.756 0.681 ( -4.385 3.647 0.204) 5.707 0.871 ( -23.608 1.501 6.738) 24.597 0.938 ( -16.303 2.193 -5.066) 17.213 1.039 ( -3.905 0.314 -9.487) 10.264 1.128 ( -7.290 2.201 -5.720) 9.524 1.335 ( -5.525 -1.956 0.929) 5.935 1.392 ( -4.351 3.112 -1.659) 5.601 1.712 ( 3.125 -0.336 3.568) 4.755 1.849 ( 3.030 -0.983 -5.429) 6.294 1.948 ( 1.952 -2.505 -2.402) 3.982 1.985 ( 0.449 1.242 -1.049) 1.687 2.012 ( 1.749 -2.602 -1.409) 3.437 2.051 ( 0.802 -0.440 -1.256) 1.553 2.139 ( -3.422 0.025 3.877) 5.172 2.268 ( -2.507 2.839 -4.799) 6.114 2.321 ( -1.406 -0.312 1.454) 2.046 2.357 ( -0.140 -0.684 -0.611) 0.928 2.448 ( 0.536 -0.208 1.095) 1.236 2.485 ( 0.629 1.546 0.016) 1.669 2.590 ( 2.831 -0.115 4.651) 5.447 2.641 ( 7.865 0.144 1.622) 8.031 4.308 ( 0.443 -0.598 0.296) 0.801 4.316 ( 0.783 -0.561 -0.186) 0.981 4.375 ( 3.504 -0.190 -0.034) 3.510 4.384 ( 3.514 0.402 -0.341) 3.553 4.464 ( 0.870 0.251 1.831) 2.042 4.512 ( 1.188 0.036 -1.589) 1.984 4.903 ( 1.905 -0.508 1.301) 2.362 4.941 ( 2.060 -0.665 -1.365) 2.559 5.940 ( 0.162 -1.449 0.867) 1.697 5.968 ( 0.127 1.200 0.032) 1.207 6.058 ( -2.432 -0.921 0.137) 2.604 6.074 ( -2.373 1.065 0.245) 2.613 7.240 ( 0.039 -0.329 0.475) 0.579 7.276 ( -2.022 0.086 -2.059) 2.887 7.514 ( -1.438 0.070 0.144) 1.447 7.518 ( -1.567 0.129 -0.107) 1.576 11.931 ( -5.409 -1.799 -1.609) 5.923 11.960 ( -5.729 1.746 -2.724) 6.579 12.119 ( -0.161 1.104 2.781) 2.997 12.185 ( 0.652 0.886 -2.106) 2.376 12.468 ( 2.156 -4.131 0.337) 4.672 12.524 ( -0.073 2.833 -0.347) 2.856 12.631 ( 0.177 0.159 0.395) 0.461 12.644 ( 0.571 0.091 -0.575) 0.815 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -2.829 -1.198 4.088) 5.114 0.720 ( -4.104 4.682 2.336) 6.650 0.801 ( -5.810 2.387 1.726) 6.514 0.823 ( -5.426 3.112 3.951) 7.398 0.963 ( -0.481 2.532 -1.997) 3.260 1.033 ( -2.149 2.546 -6.922) 7.682 1.290 ( -11.790 -0.997 3.325) 12.290 1.364 ( -4.409 -0.398 -1.737) 4.756 1.577 ( -8.926 1.423 0.400) 9.048 1.602 ( -25.771 3.714 -0.284) 26.039 1.689 ( -3.156 0.373 4.394) 5.423 1.770 ( -0.079 -0.307 -3.199) 3.214 1.883 ( 0.878 -3.360 -2.894) 4.520 1.920 ( 4.207 -3.761 -0.424) 5.659 1.981 ( 1.146 2.108 -0.969) 2.588 2.031 ( 1.155 0.873 -2.068) 2.525 2.232 ( -6.754 -1.327 1.745) 7.101 2.298 ( 0.771 -2.496 0.629) 2.687 2.329 ( -2.899 1.835 -2.646) 4.333 2.402 ( -3.852 2.671 0.666) 4.735 2.484 ( 1.065 3.237 0.489) 3.442 2.493 ( -3.289 2.626 -0.219) 4.214 2.544 ( 3.544 -2.355 1.835) 4.634 2.549 ( 1.217 -1.997 1.804) 2.953 4.270 ( 7.857 -0.336 -0.021) 7.864 4.279 ( 7.805 0.089 -0.074) 7.805 4.297 ( 0.995 -0.857 0.067) 1.315 4.302 ( 1.401 -0.567 0.027) 1.512 4.454 ( 1.345 -0.271 0.915) 1.650 4.482 ( 1.510 0.377 -0.808) 1.754 4.862 ( 2.986 -0.704 1.063) 3.246 4.884 ( 3.068 -0.769 -1.189) 3.379 5.954 ( -2.101 -0.558 0.184) 2.182 5.990 ( -1.456 1.652 0.147) 2.207 6.094 ( -2.299 -0.870 0.562) 2.521 6.119 ( -2.189 0.080 -0.244) 2.204 7.235 ( 0.543 -0.619 1.135) 1.402 7.271 ( 0.938 -0.552 -1.776) 2.083 7.546 ( -2.075 0.187 0.004) 2.083 7.554 ( -2.170 0.529 -0.036) 2.234 12.001 ( -4.564 -1.218 -0.038) 4.724 12.042 ( -3.963 -0.243 -1.885) 4.395 12.139 ( 0.058 0.958 1.435) 1.726 12.172 ( 0.834 1.798 -1.457) 2.460 12.402 ( 1.588 -4.691 0.472) 4.975 12.536 ( 0.779 1.968 -0.317) 2.140 12.630 ( 0.388 0.472 0.080) 0.616 12.634 ( 0.667 0.846 -0.092) 1.081 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -1.043 -3.437 -0.584) 3.639 0.792 ( -0.166 3.823 0.565) 3.868 0.931 ( -5.217 2.009 2.379) 6.075 0.945 ( -7.437 1.216 -0.998) 7.601 1.019 ( -1.756 2.345 -0.227) 2.938 1.082 ( -3.341 4.851 -1.128) 5.998 1.399 ( -2.588 -0.846 1.070) 2.926 1.410 ( -1.925 -0.090 0.332) 1.955 1.555 ( 4.973 -0.716 2.927) 5.815 1.605 ( 6.043 -0.790 -2.811) 6.711 1.762 ( 7.082 -1.874 0.463) 7.340 1.819 ( 2.955 0.623 1.048) 3.196 1.853 ( -0.142 -2.537 -2.899) 3.854 1.996 ( 0.994 1.605 -0.793) 2.048 2.074 ( -7.796 -0.351 2.050) 8.069 2.108 ( -15.113 2.182 -1.781) 15.373 2.267 ( 0.704 -1.688 -0.187) 1.838 2.392 ( -2.919 0.769 1.257) 3.270 2.426 ( -4.129 1.163 0.575) 4.328 2.433 ( -4.400 2.154 -0.994) 4.999 2.496 ( -6.497 -3.522 0.152) 7.392 2.553 ( -7.066 1.477 -0.075) 7.219 2.603 ( -10.464 -0.491 0.376) 10.483 2.623 ( -10.078 2.166 0.127) 10.308 4.084 ( 13.299 -0.259 -0.014) 13.301 4.093 ( 13.446 0.044 0.035) 13.446 4.282 ( 0.248 -0.945 -0.002) 0.977 4.287 ( 0.320 -0.591 -0.002) 0.672 4.424 ( 1.424 -0.852 -0.087) 1.661 4.463 ( 1.190 0.812 0.067) 1.442 4.803 ( 3.333 -1.027 0.398) 3.510 4.823 ( 2.990 -0.279 -0.419) 3.032 5.996 ( -2.716 0.234 -0.055) 2.726 6.037 ( -2.116 1.906 0.088) 2.849 6.125 ( -1.709 -0.996 0.828) 2.145 6.144 ( -1.156 -0.551 -0.736) 1.477 7.223 ( 1.066 -0.552 1.442) 1.876 7.236 ( 1.313 -0.762 -1.563) 2.179 7.583 ( -1.886 0.358 -0.025) 1.920 7.591 ( -1.572 0.472 0.006) 1.642 12.059 ( -2.853 -0.909 0.637) 3.061 12.081 ( -1.983 -0.999 -0.897) 2.395 12.138 ( 0.259 -0.185 -0.059) 0.324 12.178 ( 0.469 3.269 -0.309) 3.317 12.354 ( 0.684 -3.943 0.427) 4.024 12.528 ( 0.788 0.447 -0.209) 0.929 12.625 ( 0.454 0.458 0.046) 0.647 12.631 ( 0.843 1.172 0.036) 1.444 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 -0.70 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -3.779 -5.599 -0.000) 6.755 0.821 ( -0.703 2.567 0.000) 2.661 1.005 ( -2.326 3.172 0.000) 3.933 1.045 ( -0.397 2.246 0.000) 2.281 1.103 ( -9.061 -0.532 -0.000) 9.077 1.173 ( -3.004 2.745 0.000) 4.069 1.393 ( 6.042 0.247 0.000) 6.047 1.398 ( 1.712 -0.281 0.000) 1.735 1.483 ( 3.275 -0.771 0.000) 3.364 1.489 ( 5.211 -1.373 0.000) 5.389 1.639 ( 3.639 -2.154 0.000) 4.229 1.766 ( 3.376 1.687 0.000) 3.774 1.850 ( -2.255 -1.815 -0.000) 2.895 1.987 ( 0.818 1.142 0.000) 1.405 2.123 ( -1.060 -1.783 -0.000) 2.074 2.236 ( 0.255 -3.479 -0.000) 3.489 2.251 ( -2.014 2.792 0.000) 3.442 2.373 ( 2.413 1.207 0.000) 2.698 2.433 ( 0.774 -0.110 0.000) 0.782 2.461 ( -0.749 -0.234 -0.000) 0.785 2.661 ( -5.199 0.519 -0.000) 5.225 2.672 ( -5.060 1.108 -0.000) 5.180 2.939 ( -24.255 -0.302 -0.000) 24.257 2.964 ( -24.322 0.889 -0.000) 24.339 3.818 ( 17.205 -0.223 0.000) 17.206 3.827 ( 17.314 0.037 0.000) 17.314 4.274 ( 0.075 -0.607 -0.000) 0.612 4.280 ( 0.053 -0.328 -0.000) 0.332 4.401 ( 0.422 -0.774 -0.000) 0.882 4.451 ( 0.927 0.735 0.000) 1.183 4.746 ( 2.314 -0.960 0.000) 2.506 4.779 ( 1.954 0.159 0.000) 1.961 6.043 ( -2.292 0.710 -0.000) 2.399 6.082 ( -1.414 1.212 0.000) 1.863 6.144 ( 0.262 -1.005 -0.000) 1.039 6.145 ( -1.105 -0.380 -0.000) 1.169 7.198 ( 1.289 -0.626 0.000) 1.432 7.218 ( 0.246 -0.154 0.000) 0.291 7.612 ( -1.118 0.351 -0.000) 1.172 7.613 ( -0.764 0.213 -0.000) 0.793 12.085 ( -0.703 -0.499 -0.000) 0.862 12.092 ( -0.696 -1.397 -0.000) 1.561 12.142 ( -1.023 -0.333 -0.000) 1.076 12.196 ( 0.533 4.148 0.000) 4.183 12.318 ( 0.530 -3.407 -0.000) 3.448 12.520 ( 0.129 -0.234 -0.000) 0.267 12.622 ( 0.859 0.597 0.000) 1.046 12.623 ( 0.174 0.353 0.000) 0.394 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -0.000 -0.000 8.670) 8.670 0.382 ( -0.000 -0.000 7.838) 7.838 0.584 ( 0.000 0.000 -1.712) 1.712 0.600 ( 0.000 0.000 -6.626) 6.626 0.715 ( -0.000 -0.000 11.149) 11.149 0.784 ( -0.000 -0.000 20.305) 20.305 0.947 ( 0.000 0.000 -13.246) 13.246 1.076 ( 0.000 0.000 -13.307) 13.307 1.296 ( -0.000 -0.000 3.231) 3.231 1.342 ( 0.000 0.000 -2.024) 2.024 1.758 ( -0.000 -0.000 3.524) 3.524 1.849 ( 0.000 0.000 -7.012) 7.012 1.976 ( -0.000 -0.000 1.008) 1.008 1.987 ( 0.000 0.000 -0.382) 0.382 2.025 ( -0.000 -0.000 0.825) 0.825 2.066 ( 0.000 0.000 -3.363) 3.363 2.123 ( -0.000 -0.000 4.439) 4.439 2.208 ( 0.000 0.000 -5.253) 5.253 2.315 ( -0.000 -0.000 2.095) 2.095 2.348 ( 0.000 0.000 -1.619) 1.619 2.470 ( -0.000 -0.000 1.556) 1.556 2.489 ( 0.000 0.000 -0.771) 0.771 2.642 ( -0.000 -0.000 5.817) 5.817 2.723 ( 0.000 0.000 -3.689) 3.689 4.316 ( -0.000 -0.000 0.474) 0.474 4.325 ( 0.000 0.000 -0.519) 0.519 4.402 ( -0.000 -0.000 0.191) 0.191 4.407 ( 0.000 0.000 -0.375) 0.375 4.481 ( -0.000 -0.000 1.890) 1.890 4.514 ( 0.000 0.000 -1.812) 1.812 4.930 ( -0.000 -0.000 1.487) 1.487 4.956 ( 0.000 0.000 -1.465) 1.465 5.966 ( -0.000 -0.000 0.234) 0.234 5.969 ( 0.000 0.000 -0.105) 0.105 6.033 ( -0.000 -0.000 0.401) 0.401 6.039 ( 0.000 0.000 -0.283) 0.283 7.239 ( -0.000 -0.000 0.136) 0.136 7.240 ( 0.000 0.000 -0.058) 0.058 7.502 ( -0.000 -0.000 0.136) 0.136 7.504 ( 0.000 0.000 -0.051) 0.051 11.859 ( -0.000 -0.000 1.712) 1.712 11.896 ( 0.000 0.000 -2.638) 2.638 12.127 ( -0.000 -0.000 3.185) 3.185 12.177 ( 0.000 0.000 -2.540) 2.540 12.507 ( -0.000 -0.000 0.063) 0.063 12.510 ( 0.000 0.000 -0.248) 0.248 12.635 ( -0.000 -0.000 0.584) 0.584 12.646 ( 0.000 0.000 -0.725) 0.725 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -8.138 3.038 7.899) 11.741 0.581 ( -7.879 2.691 -6.340) 10.465 0.726 ( -8.002 1.745 6.903) 10.711 0.744 ( -7.742 1.660 4.734) 9.225 0.893 ( -10.758 0.193 0.091) 10.760 0.928 ( -4.171 2.431 -2.686) 5.525 0.980 ( -16.636 -0.421 0.711) 16.656 1.071 ( -14.517 4.713 -6.678) 16.660 1.342 ( -3.990 -1.771 0.525) 4.397 1.382 ( -5.396 2.993 -0.720) 6.213 1.748 ( 2.692 -0.259 4.909) 5.605 1.796 ( 2.532 -0.281 -6.167) 6.672 1.937 ( 2.692 -3.490 -0.449) 4.431 1.979 ( 1.320 2.264 -0.412) 2.653 2.006 ( 1.971 -3.535 -0.298) 4.059 2.044 ( 0.082 -0.581 -0.442) 0.735 2.173 ( -2.643 0.202 3.458) 4.357 2.229 ( -3.336 3.219 -3.743) 5.959 2.333 ( -0.564 -1.101 1.075) 1.639 2.350 ( -1.170 0.241 -0.755) 1.413 2.454 ( 0.946 -0.703 0.341) 1.226 2.485 ( 0.596 2.193 -0.007) 2.272 2.624 ( 4.075 -0.415 3.041) 5.102 2.642 ( 5.652 -0.390 -1.036) 5.760 4.310 ( 0.567 -0.679 0.268) 0.924 4.314 ( 0.651 -0.497 -0.237) 0.853 4.375 ( 3.517 -0.270 0.009) 3.528 4.382 ( 3.440 0.534 -0.135) 3.484 4.481 ( 0.975 0.161 1.900) 2.141 4.497 ( 1.038 0.117 -1.824) 2.102 4.915 ( 1.996 -0.588 1.484) 2.556 4.929 ( 2.032 -0.616 -1.501) 2.600 5.945 ( 0.180 -1.553 0.278) 1.588 5.968 ( 0.090 1.266 0.010) 1.269 6.059 ( -2.563 -1.033 0.049) 2.764 6.075 ( -2.443 1.060 0.084) 2.664 7.244 ( -0.555 -0.808 0.377) 1.050 7.263 ( -1.126 0.817 -0.867) 1.639 7.515 ( -1.398 0.046 0.126) 1.405 7.517 ( -1.553 0.156 -0.108) 1.564 11.922 ( -5.127 -1.266 -0.508) 5.305 11.945 ( -5.419 1.645 -0.874) 5.731 12.142 ( 0.148 0.832 2.691) 2.820 12.165 ( 0.395 0.873 -2.446) 2.627 12.470 ( 2.090 -3.902 0.094) 4.428 12.522 ( -0.092 2.636 -0.116) 2.640 12.634 ( 0.302 0.150 0.496) 0.600 12.639 ( 0.439 0.124 -0.565) 0.727 ======================= Grid point 48 (30/171) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.763 -2.199 -0.000) 2.328 0.721 ( -6.863 4.039 -0.000) 7.963 0.820 ( -2.265 2.352 0.000) 3.266 0.839 ( -4.157 3.680 0.000) 5.552 0.967 ( -2.732 1.993 0.000) 3.382 0.986 ( -3.293 3.668 0.000) 4.929 1.307 ( -11.771 -1.772 -0.000) 11.904 1.354 ( -4.609 0.464 -0.000) 4.632 1.578 ( -9.998 1.590 -0.000) 10.124 1.601 ( -24.449 3.865 -0.000) 24.752 1.721 ( 0.099 -0.488 -0.000) 0.498 1.742 ( -4.397 0.828 -0.000) 4.475 1.870 ( 0.844 -4.351 -0.000) 4.432 1.919 ( 4.642 -3.597 -0.000) 5.872 1.975 ( 0.506 2.687 0.000) 2.734 2.023 ( 1.918 0.610 0.000) 2.012 2.241 ( -6.113 -1.798 -0.000) 6.372 2.303 ( 1.183 -2.203 -0.000) 2.501 2.314 ( -4.022 1.973 -0.000) 4.480 2.405 ( -3.746 2.586 0.000) 4.552 2.488 ( 1.751 3.338 0.000) 3.770 2.491 ( -3.968 2.695 0.000) 4.797 2.551 ( 3.727 -2.447 -0.000) 4.458 2.557 ( 1.356 -2.096 -0.000) 2.497 4.270 ( 7.848 -0.357 0.000) 7.856 4.278 ( 7.716 0.109 0.000) 7.717 4.297 ( 0.977 -0.923 -0.000) 1.344 4.302 ( 1.487 -0.502 0.000) 1.570 4.459 ( 1.806 -0.591 0.000) 1.900 4.477 ( 1.077 0.677 0.000) 1.273 4.869 ( 3.157 -1.010 0.000) 3.315 4.876 ( 2.889 -0.467 0.000) 2.927 5.955 ( -2.025 -0.619 -0.000) 2.117 5.991 ( -1.475 1.663 0.000) 2.223 6.097 ( -2.593 -1.117 -0.000) 2.824 6.118 ( -1.878 0.284 -0.000) 1.899 7.242 ( 0.143 -1.062 -0.000) 1.072 7.262 ( 1.225 -0.030 0.000) 1.225 7.546 ( -2.048 0.181 -0.000) 2.056 7.554 ( -2.183 0.561 -0.000) 2.253 12.001 ( -5.001 -1.497 -0.000) 5.221 12.034 ( -3.856 0.242 -0.000) 3.864 12.147 ( 0.675 0.409 0.000) 0.790 12.164 ( 0.331 2.230 0.000) 2.255 12.404 ( 1.555 -4.593 -0.000) 4.849 12.535 ( 0.765 1.882 0.000) 2.031 12.631 ( 0.526 0.351 0.000) 0.633 12.633 ( 0.505 1.029 0.000) 1.146 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 0.000 0.000 -1.132) 1.132 0.417 ( -0.000 -0.000 1.132) 1.132 0.565 ( 0.000 0.000 -0.145) 0.145 0.565 ( -0.000 -0.000 0.145) 0.145 0.829 ( 0.000 0.000 -14.108) 14.108 0.829 ( -0.000 -0.000 14.108) 14.108 0.945 ( 0.000 0.000 -17.295) 17.295 0.945 ( -0.000 -0.000 17.295) 17.295 1.322 ( 0.000 0.000 -2.721) 2.721 1.322 ( -0.000 -0.000 2.721) 2.721 1.795 ( 0.000 0.000 -5.362) 5.362 1.795 ( -0.000 -0.000 5.362) 5.362 1.983 ( 0.000 0.000 -0.576) 0.576 1.983 ( -0.000 -0.000 0.576) 0.576 2.040 ( 0.000 0.000 -2.555) 2.555 2.040 ( -0.000 -0.000 2.555) 2.555 2.164 ( 0.000 0.000 -5.046) 5.046 2.164 ( -0.000 -0.000 5.046) 5.046 2.333 ( 0.000 0.000 -1.954) 1.954 2.333 ( -0.000 -0.000 1.954) 1.954 2.481 ( 0.000 0.000 -1.114) 1.114 2.481 ( -0.000 -0.000 1.114) 1.114 2.687 ( 0.000 0.000 -4.721) 4.721 2.687 ( -0.000 -0.000 4.721) 4.721 4.321 ( 0.000 0.000 -0.522) 0.522 4.321 ( -0.000 -0.000 0.522) 0.522 4.404 ( 0.000 0.000 -0.275) 0.275 4.404 ( -0.000 -0.000 0.275) 0.275 4.498 ( 0.000 0.000 -1.925) 1.925 4.498 ( -0.000 -0.000 1.925) 1.925 4.943 ( 0.000 0.000 -1.551) 1.551 4.943 ( -0.000 -0.000 1.551) 1.551 5.968 ( 0.000 0.000 -0.179) 0.179 5.968 ( -0.000 -0.000 0.179) 0.179 6.036 ( 0.000 0.000 -0.359) 0.359 6.036 ( -0.000 -0.000 0.359) 0.359 7.240 ( 0.000 0.000 -0.102) 0.102 7.240 ( -0.000 -0.000 0.102) 0.102 7.503 ( 0.000 0.000 -0.098) 0.098 7.503 ( -0.000 -0.000 0.098) 0.098 11.875 ( 0.000 0.000 -2.191) 2.191 11.875 ( -0.000 -0.000 2.191) 2.191 12.153 ( 0.000 0.000 -2.913) 2.913 12.153 ( -0.000 -0.000 2.913) 2.913 12.508 ( 0.000 0.000 -0.162) 0.162 12.508 ( -0.000 -0.000 0.162) 0.162 12.640 ( 0.000 0.000 -0.687) 0.687 12.640 ( -0.000 -0.000 0.687) 0.687 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( 0.000 12.075 0.000) 12.075 0.224 ( 0.000 14.716 0.000) 14.716 0.354 ( 0.000 9.083 0.000) 9.083 0.381 ( 0.000 25.175 0.000) 25.175 0.781 ( 0.000 3.394 0.000) 3.394 0.828 ( 0.000 7.808 0.000) 7.808 1.189 ( -0.000 -2.864 -0.000) 2.864 1.227 ( 0.000 1.491 0.000) 1.491 1.273 ( -0.000 -0.424 -0.000) 0.424 1.468 ( -0.000 -0.173 -0.000) 0.173 1.669 ( -0.000 -0.934 -0.000) 0.934 1.851 ( -0.000 -6.084 -0.000) 6.084 1.998 ( 0.000 0.369 0.000) 0.369 2.015 ( 0.000 5.056 0.000) 5.056 2.054 ( -0.000 -0.030 -0.000) 0.030 2.133 ( -0.000 -2.052 -0.000) 2.052 2.200 ( -0.000 -0.492 -0.000) 0.492 2.276 ( -0.000 -0.692 -0.000) 0.692 2.281 ( 0.000 1.557 0.000) 1.557 2.361 ( -0.000 -1.178 -0.000) 1.178 2.377 ( 0.000 0.873 0.000) 0.873 2.381 ( -0.000 -4.615 -0.000) 4.615 2.530 ( 0.000 2.518 0.000) 2.518 2.871 ( -0.000 -1.981 -0.000) 1.981 4.298 ( -0.000 -1.256 -0.000) 1.256 4.311 ( -0.000 -1.307 -0.000) 1.307 4.403 ( 0.000 0.453 0.000) 0.453 4.432 ( -0.000 -0.137 -0.000) 0.137 4.439 ( 0.000 0.596 0.000) 0.596 4.550 ( -0.000 -0.004 -0.000) 0.004 4.898 ( -0.000 -0.260 -0.000) 0.260 4.973 ( -0.000 -1.474 -0.000) 1.474 5.880 ( -0.000 -0.155 -0.000) 0.155 5.963 ( -0.000 -0.899 -0.000) 0.899 6.048 ( 0.000 0.587 0.000) 0.587 6.090 ( 0.000 0.119 0.000) 0.119 7.240 ( 0.000 0.615 0.000) 0.615 7.243 ( 0.000 0.265 0.000) 0.265 7.499 ( 0.000 0.050 0.000) 0.050 7.504 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.975 0.000) 0.975 12.010 ( 0.000 1.519 0.000) 1.519 12.143 ( -0.000 -1.260 -0.000) 1.260 12.240 ( 0.000 2.148 0.000) 2.148 12.496 ( -0.000 -0.045 -0.000) 0.045 12.500 ( -0.000 -2.191 -0.000) 2.191 12.624 ( -0.000 -0.048 -0.000) 0.048 12.661 ( -0.000 -0.178 -0.000) 0.178 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -8.657 10.702 3.666) 14.245 0.495 ( -8.334 10.305 -0.148) 13.253 0.515 ( -8.508 10.344 4.256) 14.054 0.813 ( -24.867 10.245 0.779) 26.906 0.888 ( -5.549 5.856 -1.070) 8.138 1.102 ( -20.926 3.589 -3.537) 21.524 1.154 ( 0.649 -1.933 2.451) 3.189 1.228 ( 0.649 2.141 -1.802) 2.873 1.276 ( -4.668 -0.780 0.585) 4.769 1.481 ( -1.855 0.690 -0.548) 2.054 1.643 ( 2.152 -0.980 0.664) 2.456 1.820 ( 0.620 -6.667 0.206) 6.699 1.990 ( 1.616 0.119 -0.608) 1.731 2.017 ( 2.730 -0.650 -1.462) 3.164 2.052 ( 0.406 -0.871 1.499) 1.781 2.138 ( -4.171 0.956 -5.715) 7.139 2.193 ( -0.243 0.371 -5.245) 5.263 2.274 ( 1.654 -2.930 1.273) 3.597 2.307 ( 0.829 -1.822 7.135) 7.410 2.318 ( -2.226 1.361 1.025) 2.803 2.395 ( -2.506 -1.680 0.235) 3.026 2.421 ( -3.458 0.722 0.456) 3.562 2.531 ( 1.859 1.822 0.614) 2.674 2.664 ( 13.403 6.148 -0.256) 14.748 4.291 ( -0.117 -1.415 -0.149) 1.428 4.297 ( 0.329 -1.662 0.236) 1.711 4.377 ( 3.858 0.054 -0.063) 3.859 4.393 ( 4.336 -0.166 -0.088) 4.340 4.440 ( 0.396 0.937 0.431) 1.105 4.535 ( 1.600 -0.057 -0.221) 1.616 4.880 ( 1.725 -0.425 0.031) 1.777 4.943 ( 1.908 -1.827 -0.214) 2.651 5.899 ( -2.095 -0.035 0.414) 2.136 5.974 ( -1.317 -0.309 0.015) 1.353 6.060 ( -0.798 0.644 -0.167) 1.040 6.081 ( -0.788 1.019 0.154) 1.297 7.235 ( 1.032 0.213 -0.000) 1.053 7.300 ( -2.504 -3.008 -0.482) 3.943 7.514 ( -1.736 0.204 0.005) 1.748 7.520 ( -1.749 0.097 0.037) 1.752 11.930 ( -6.008 -2.750 -0.362) 6.618 12.041 ( -1.990 1.800 -0.265) 2.697 12.130 ( -0.173 -1.458 -1.080) 1.823 12.251 ( 0.795 2.920 -0.658) 3.097 12.386 ( 4.410 -2.511 0.816) 5.140 12.564 ( -1.726 -0.531 -0.458) 1.863 12.625 ( -0.100 0.023 0.179) 0.207 12.654 ( 0.506 -0.033 -0.097) 0.516 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -7.533 7.799 0.572) 10.858 0.693 ( -7.596 6.263 2.248) 10.098 0.725 ( -4.888 8.040 3.871) 10.174 0.970 ( -2.118 1.530 -6.208) 6.735 1.046 ( 0.617 2.461 1.563) 2.980 1.172 ( -5.936 1.415 2.673) 6.662 1.205 ( 1.061 1.722 -1.554) 2.550 1.372 ( -3.108 -1.532 -0.269) 3.475 1.541 ( -3.677 -0.525 1.140) 3.885 1.635 ( -13.906 2.423 1.287) 14.174 1.684 ( -20.143 2.556 -0.976) 20.328 1.749 ( -0.711 -2.597 1.057) 2.893 1.912 ( 4.814 -1.387 -2.975) 5.826 1.964 ( 3.425 0.239 2.289) 4.126 2.028 ( -0.005 -1.526 -3.586) 3.897 2.145 ( 0.151 -1.989 -6.230) 6.542 2.215 ( -2.711 -3.358 -1.472) 4.560 2.250 ( -2.747 2.337 0.347) 3.624 2.336 ( -1.218 -1.090 7.523) 7.698 2.405 ( -5.427 0.640 -0.057) 5.465 2.427 ( -2.632 -0.861 1.245) 3.036 2.493 ( -0.462 1.800 -0.641) 1.966 2.523 ( -1.635 1.689 -0.122) 2.354 2.537 ( 4.307 3.135 0.812) 5.389 4.269 ( 6.711 -0.444 -0.377) 6.736 4.276 ( 6.211 -0.545 0.251) 6.239 4.283 ( 3.077 -0.968 -0.071) 3.226 4.284 ( 1.591 -0.913 0.231) 1.849 4.440 ( 0.526 0.601 0.203) 0.824 4.497 ( 2.365 -0.067 -0.187) 2.373 4.837 ( 2.861 -0.537 0.155) 2.915 4.886 ( 2.954 -1.708 -0.307) 3.426 5.950 ( -3.445 0.482 -0.050) 3.479 6.004 ( -1.905 0.977 0.274) 2.158 6.080 ( -1.081 0.249 -0.006) 1.110 6.115 ( -2.347 -0.579 0.120) 2.421 7.215 ( 1.347 -0.002 0.194) 1.361 7.286 ( 0.843 -2.183 -0.614) 2.420 7.553 ( -2.282 0.438 -0.125) 2.327 7.558 ( -2.225 0.296 0.197) 2.253 11.994 ( -3.764 -1.304 -0.244) 3.991 12.085 ( -1.765 0.291 -1.081) 2.090 12.126 ( -0.885 -0.691 0.156) 1.133 12.249 ( 1.244 2.705 -1.887) 3.525 12.313 ( 2.562 -2.592 2.020) 4.167 12.564 ( 0.516 -0.684 -0.755) 1.142 12.629 ( -0.042 0.176 0.391) 0.431 12.645 ( 0.775 0.518 0.045) 0.933 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -2.065 2.410 -5.868) 6.671 0.808 ( -0.315 4.933 2.947) 5.755 0.891 ( -7.563 4.492 2.468) 9.136 0.982 ( -3.100 -0.634 -1.698) 3.591 1.104 ( -2.558 3.614 -1.969) 4.846 1.172 ( 2.024 2.609 -0.451) 3.332 1.274 ( -3.242 -0.802 6.039) 6.901 1.370 ( 0.575 -1.974 1.314) 2.440 1.496 ( 4.894 1.189 0.871) 5.111 1.606 ( 5.306 -2.073 1.058) 5.794 1.771 ( 5.989 -1.158 -3.754) 7.163 1.831 ( 2.802 0.590 0.010) 2.863 1.955 ( 0.116 -2.430 -1.548) 2.884 2.023 ( -2.017 1.196 0.023) 2.345 2.056 ( -4.398 2.336 -3.560) 6.121 2.188 ( -12.260 -0.748 -0.415) 12.290 2.223 ( -0.233 -0.809 0.224) 0.871 2.335 ( -2.313 0.285 3.406) 4.127 2.418 ( -0.232 -1.375 -0.145) 1.402 2.435 ( -2.429 -2.747 0.339) 3.683 2.496 ( -11.580 2.911 -0.617) 11.956 2.579 ( -10.473 1.774 -0.057) 10.622 2.586 ( -11.240 1.342 0.608) 11.337 2.639 ( -7.907 1.385 0.697) 8.058 4.083 ( 13.341 -0.161 -0.165) 13.343 4.088 ( 13.383 -0.106 0.229) 13.385 4.268 ( -0.106 -0.957 -0.053) 0.965 4.278 ( -0.108 -0.652 -0.019) 0.661 4.429 ( 0.930 -0.125 -0.877) 1.284 4.462 ( 1.704 0.325 0.733) 1.883 4.781 ( 3.057 -0.529 0.128) 3.105 4.822 ( 2.875 -1.276 -0.136) 3.148 6.014 ( -3.390 0.905 -0.729) 3.583 6.054 ( -2.300 1.726 0.783) 2.980 6.096 ( -0.645 -0.226 0.261) 0.731 6.142 ( -1.638 -1.586 -0.149) 2.285 7.195 ( 1.035 -0.046 0.401) 1.111 7.249 ( 1.223 -1.563 -0.641) 2.085 7.591 ( -1.777 0.427 -0.095) 1.830 7.595 ( -1.593 0.335 0.145) 1.634 12.042 ( -2.582 -0.356 0.039) 2.606 12.090 ( -0.605 -1.507 -0.632) 1.743 12.144 ( -0.804 -0.171 -1.151) 1.414 12.239 ( 0.345 0.230 -0.132) 0.435 12.282 ( 1.491 1.259 1.547) 2.490 12.541 ( 0.716 -1.175 -0.876) 1.631 12.630 ( 0.293 0.246 0.073) 0.389 12.636 ( 0.937 0.647 0.406) 1.209 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.113 -0.217 -7.933) 7.936 0.838 ( 0.410 2.715 1.167) 2.984 0.995 ( -3.094 -1.628 0.694) 3.565 1.088 ( -7.159 2.452 0.644) 7.594 1.120 ( 1.882 1.736 0.197) 2.568 1.199 ( -2.976 0.978 -0.543) 3.180 1.315 ( 1.167 -1.172 3.869) 4.207 1.374 ( -1.981 -0.756 4.210) 4.714 1.416 ( 6.212 2.309 0.734) 6.668 1.512 ( 4.841 -0.439 0.570) 4.894 1.650 ( 4.549 -0.478 -4.663) 6.532 1.772 ( 3.690 1.087 0.084) 3.848 1.913 ( 0.893 -0.983 -3.100) 3.372 2.016 ( 0.627 -1.694 1.660) 2.453 2.092 ( -1.605 -0.126 -2.109) 2.653 2.198 ( 1.731 0.146 -2.213) 2.813 2.304 ( -2.199 0.743 1.490) 2.758 2.357 ( 0.624 0.192 1.195) 1.362 2.409 ( 0.309 -0.246 0.253) 0.469 2.449 ( -1.265 -0.907 0.797) 1.748 2.659 ( -4.871 1.356 0.201) 5.060 2.703 ( -3.497 0.554 -0.536) 3.581 2.941 ( -24.015 0.350 -0.347) 24.020 2.970 ( -24.318 0.431 0.620) 24.330 3.817 ( 17.190 -0.105 -0.130) 17.191 3.825 ( 17.194 -0.046 0.184) 17.195 4.267 ( -0.314 -0.260 -0.048) 0.411 4.278 ( -0.178 -0.204 -0.042) 0.274 4.407 ( 0.675 -0.270 -1.062) 1.287 4.449 ( 0.808 0.333 0.890) 1.247 4.734 ( 1.864 -0.414 -0.182) 1.918 4.775 ( 1.632 -0.670 0.255) 1.782 6.065 ( -1.973 0.844 -0.851) 2.308 6.095 ( -0.549 0.081 -0.421) 0.697 6.108 ( -0.694 0.708 1.299) 1.634 6.151 ( -1.144 -1.215 0.089) 1.671 7.183 ( 0.492 0.041 0.252) 0.554 7.222 ( 0.495 -0.896 -0.337) 1.078 7.615 ( -0.694 0.201 0.045) 0.724 7.618 ( -0.841 0.219 0.007) 0.869 12.069 ( -0.942 -0.620 -0.498) 1.233 12.095 ( -1.185 -0.835 0.061) 1.451 12.137 ( -0.029 -0.672 -1.351) 1.509 12.235 ( 0.610 -1.367 2.774) 3.152 12.291 ( 0.131 4.251 -0.958) 4.359 12.519 ( 0.147 -1.551 -0.787) 1.746 12.622 ( 0.861 0.432 0.160) 0.976 12.628 ( 0.370 0.058 0.108) 0.390 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.687 -2.967 -7.579) 8.168 0.865 ( 0.828 4.298 2.688) 5.136 1.015 ( -1.109 -3.103 1.819) 3.764 1.072 ( 4.954 -0.969 3.246) 6.002 1.207 ( -0.481 0.278 -0.916) 1.071 1.231 ( -0.459 0.611 -0.930) 1.204 1.294 ( -1.710 0.375 -3.055) 3.521 1.324 ( 4.328 1.312 1.897) 4.904 1.436 ( -1.932 0.325 0.645) 2.063 1.460 ( 0.276 -0.192 -0.572) 0.663 1.594 ( -1.141 -0.182 -1.938) 2.256 1.738 ( 1.170 0.778 1.113) 1.793 1.903 ( -0.950 0.337 -0.111) 1.014 2.009 ( -0.417 -1.192 1.393) 1.880 2.108 ( -1.686 -0.926 -1.303) 2.323 2.157 ( 1.385 -0.671 -3.106) 3.466 2.338 ( -0.358 1.592 -0.112) 1.635 2.352 ( 0.300 0.658 1.203) 1.404 2.402 ( 0.415 -0.658 0.631) 1.002 2.461 ( -0.509 -0.537 -0.019) 0.740 2.696 ( 1.129 -0.197 -0.464) 1.236 2.726 ( 0.580 -0.207 0.045) 0.617 3.232 ( 0.470 -0.064 -0.505) 0.693 3.274 ( 0.127 0.250 0.596) 0.659 3.589 ( -0.313 0.041 0.006) 0.316 3.591 ( -0.012 0.057 0.064) 0.086 4.273 ( -0.341 0.259 -0.064) 0.434 4.280 ( -0.194 0.117 -0.005) 0.227 4.399 ( -0.409 -0.014 -0.491) 0.639 4.443 ( 0.427 0.035 0.472) 0.637 4.717 ( -0.437 -0.164 -0.524) 0.702 4.763 ( -0.419 -0.068 0.536) 0.684 6.070 ( 1.045 -0.554 0.088) 1.186 6.100 ( 1.418 -1.158 0.084) 1.833 6.109 ( -1.021 0.592 -1.190) 1.676 6.178 ( -1.012 1.113 1.143) 1.889 7.180 ( -0.080 0.021 -0.372) 0.381 7.220 ( -0.641 -0.096 0.401) 0.762 7.620 ( 0.182 -0.037 -0.018) 0.186 7.624 ( 0.219 0.042 0.127) 0.257 12.072 ( -0.287 -0.463 -0.588) 0.801 12.101 ( -0.862 -1.244 -1.374) 2.044 12.139 ( -0.232 0.466 1.096) 1.213 12.221 ( 1.141 -1.449 2.533) 3.134 12.321 ( -0.168 4.832 -1.631) 5.103 12.508 ( -0.616 -1.928 -0.490) 2.082 12.612 ( 0.484 -0.046 -0.062) 0.490 12.624 ( 0.130 -0.101 0.105) 0.195 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.166 -2.511 -3.619) 5.424 0.850 ( 6.853 2.642 2.760) 7.846 0.945 ( 7.455 -3.034 0.163) 8.051 1.043 ( -3.230 -2.127 0.826) 3.955 1.095 ( 7.895 0.199 -0.904) 7.949 1.168 ( 7.442 -0.044 2.777) 7.943 1.339 ( -3.218 -0.722 -3.338) 4.693 1.371 ( -3.039 0.628 -1.140) 3.306 1.419 ( -0.519 1.177 -4.947) 5.111 1.524 ( -7.130 0.238 -0.997) 7.204 1.679 ( -6.948 0.835 1.949) 7.264 1.760 ( -2.355 0.213 2.825) 3.684 1.944 ( -2.127 1.287 2.416) 3.466 2.020 ( -0.674 -1.523 2.184) 2.747 2.100 ( 3.094 0.220 -3.100) 4.385 2.132 ( -2.184 -2.029 -2.119) 3.658 2.334 ( 0.887 1.160 -1.820) 2.334 2.366 ( 1.234 0.540 3.053) 3.337 2.397 ( -0.976 -0.600 -0.417) 1.219 2.458 ( 0.314 -0.167 -1.099) 1.155 2.620 ( 6.433 -1.052 -1.030) 6.600 2.680 ( 4.522 -0.602 0.452) 4.584 2.925 ( 24.742 -0.467 -0.558) 24.753 2.976 ( 24.528 0.537 0.659) 24.543 3.821 ( -17.282 0.121 -0.021) 17.282 3.827 ( -17.193 0.040 0.003) 17.193 4.282 ( -0.382 0.470 -0.054) 0.607 4.285 ( -0.236 0.236 0.002) 0.334 4.416 ( -1.403 0.273 0.133) 1.435 4.439 ( -0.000 -0.269 -0.036) 0.271 4.741 ( -2.538 0.067 -0.626) 2.615 4.792 ( -2.434 0.338 0.610) 2.532 6.039 ( 2.046 -0.521 0.231) 2.124 6.056 ( 2.305 -1.337 -0.358) 2.688 6.116 ( 0.173 0.459 -0.945) 1.065 6.195 ( 0.609 1.065 1.035) 1.605 7.184 ( -0.692 0.046 -0.697) 0.983 7.244 ( -1.642 0.435 0.835) 1.892 7.609 ( 1.020 -0.126 0.052) 1.029 7.612 ( 1.208 -0.138 0.099) 1.220 12.062 ( 0.579 -0.395 -0.945) 1.177 12.110 ( -1.337 -0.379 -0.578) 1.505 12.147 ( 0.538 0.276 1.112) 1.266 12.200 ( 1.228 -1.198 2.145) 2.747 12.355 ( -0.439 5.233 -1.517) 5.466 12.505 ( -1.099 -2.665 -0.205) 2.890 12.607 ( -0.262 -0.298 -0.110) 0.411 12.623 ( -0.040 -0.217 0.112) 0.247 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 1.405 -0.210 -0.314) 1.455 0.679 ( 10.631 -2.515 -2.833) 11.286 0.803 ( 7.584 -0.938 -3.352) 8.344 0.975 ( 3.671 -0.566 -0.123) 3.716 1.039 ( 7.267 -0.608 4.927) 8.801 1.113 ( -2.454 -0.793 2.724) 3.752 1.305 ( 3.007 0.785 -5.745) 6.532 1.398 ( -1.248 0.023 -0.672) 1.418 1.489 ( -6.174 0.164 -1.592) 6.379 1.666 ( -8.298 0.962 -0.234) 8.357 1.818 ( -6.510 1.033 1.912) 6.863 1.831 ( -2.379 0.656 3.197) 4.039 1.928 ( 11.272 -2.543 -0.602) 11.571 1.987 ( 3.345 -0.217 -0.135) 3.355 2.057 ( 0.423 1.685 1.193) 2.107 2.127 ( 1.604 -2.272 0.630) 2.852 2.303 ( 4.675 2.101 -0.270) 5.132 2.325 ( 3.071 -0.717 -0.680) 3.226 2.414 ( 0.402 -0.812 1.196) 1.500 2.424 ( 4.009 -0.320 -0.512) 4.054 2.474 ( 6.679 -0.664 -2.125) 7.040 2.552 ( 10.245 -0.110 -0.678) 10.268 2.588 ( 7.742 -0.648 0.095) 7.770 2.600 ( 16.422 0.659 -0.435) 16.441 4.088 ( -13.329 0.144 0.030) 13.330 4.090 ( -13.439 -0.050 -0.076) 13.439 4.292 ( -0.341 0.217 -0.021) 0.404 4.293 ( -0.567 0.342 -0.046) 0.664 4.433 ( 0.020 0.075 -0.140) 0.160 4.455 ( -2.358 -0.108 0.141) 2.365 4.792 ( -3.398 0.128 -0.497) 3.436 4.850 ( -3.559 0.384 0.583) 3.627 5.996 ( 2.911 -0.059 -0.090) 2.913 6.006 ( 2.096 -0.979 -0.256) 2.328 6.102 ( 1.161 0.114 -0.741) 1.382 6.179 ( 2.386 0.517 0.604) 2.515 7.197 ( -1.110 0.051 -0.657) 1.290 7.286 ( -2.279 0.539 1.033) 2.560 7.583 ( 1.968 -0.076 0.098) 1.972 7.586 ( 1.705 -0.168 0.051) 1.714 12.043 ( 1.013 -0.042 -0.467) 1.116 12.122 ( 1.582 0.560 0.034) 1.679 12.134 ( -0.354 -0.570 0.131) 0.684 12.187 ( 0.344 -0.678 2.209) 2.336 12.405 ( -1.276 5.564 -0.821) 5.767 12.499 ( -1.067 -3.994 -0.114) 4.136 12.616 ( -0.958 -0.157 0.072) 0.973 12.623 ( -0.107 -0.171 0.059) 0.210 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 12.111 0.000 -6.677) 13.829 0.533 ( 11.334 0.000 -1.239) 11.401 0.622 ( 10.969 0.000 -4.361) 11.804 0.919 ( 8.186 0.000 4.602) 9.391 1.020 ( -7.465 -0.000 1.297) 7.576 1.156 ( 3.857 0.000 1.758) 4.239 1.184 ( 8.171 0.000 -2.772) 8.629 1.414 ( -0.302 -0.000 0.654) 0.720 1.556 ( 16.559 0.000 0.119) 16.560 1.591 ( -1.335 -0.000 -2.025) 2.426 1.599 ( 30.939 0.000 0.605) 30.945 1.805 ( -6.868 -0.000 -0.045) 6.868 1.947 ( -3.784 -0.000 0.526) 3.821 1.949 ( -5.942 -0.000 -0.345) 5.952 2.095 ( -1.339 -0.000 3.245) 3.510 2.124 ( -1.154 -0.000 5.329) 5.453 2.233 ( 8.720 0.000 3.625) 9.444 2.294 ( -3.009 -0.000 -2.624) 3.992 2.328 ( 2.219 0.000 -3.688) 4.304 2.386 ( 1.567 0.000 2.911) 3.306 2.427 ( 3.973 0.000 -3.231) 5.122 2.465 ( -1.628 -0.000 -1.319) 2.095 2.478 ( 5.459 0.000 -0.047) 5.459 2.480 ( 1.180 0.000 -3.399) 3.598 4.273 ( -8.371 -0.000 0.037) 8.372 4.282 ( -8.866 -0.000 0.107) 8.867 4.299 ( -0.457 -0.000 -0.087) 0.465 4.306 ( -0.785 -0.000 -0.098) 0.791 4.431 ( 0.037 0.000 -0.467) 0.468 4.498 ( -2.445 -0.000 0.299) 2.463 4.847 ( -2.964 -0.000 -0.302) 2.979 4.916 ( -3.423 -0.000 0.461) 3.453 5.943 ( 2.789 0.000 -0.653) 2.865 5.972 ( 1.305 0.000 -0.008) 1.305 6.076 ( 1.470 0.000 -0.508) 1.555 6.129 ( 3.714 0.000 0.146) 3.717 7.216 ( -1.191 -0.000 -0.381) 1.251 7.334 ( -2.301 -0.000 1.360) 2.673 7.547 ( 2.138 0.000 0.085) 2.140 7.552 ( 2.110 0.000 0.068) 2.111 12.024 ( 1.376 0.000 1.006) 1.704 12.077 ( 2.551 0.000 -1.530) 2.975 12.141 ( 0.527 -0.000 2.269) 2.329 12.197 ( -0.821 -0.000 1.397) 1.621 12.468 ( -2.293 -0.000 -0.142) 2.297 12.482 ( -0.266 -0.000 -0.289) 0.392 12.624 ( -0.069 -0.000 -0.009) 0.070 12.636 ( -1.203 -0.000 0.180) 1.217 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 13.757 -0.000 0.000) 13.757 0.528 ( 11.708 -0.000 0.000) 11.708 0.603 ( 11.497 -0.000 0.000) 11.497 0.940 ( 8.134 -0.000 0.000) 8.134 1.026 ( -7.913 0.000 -0.000) 7.913 1.156 ( 13.908 -0.000 0.000) 13.908 1.178 ( -2.292 0.000 -0.000) 2.292 1.417 ( -0.723 0.000 -0.000) 0.723 1.557 ( 20.399 -0.000 0.000) 20.399 1.581 ( -5.225 0.000 -0.000) 5.225 1.601 ( 31.709 -0.000 0.000) 31.709 1.805 ( -7.103 0.000 -0.000) 7.103 1.948 ( -5.763 0.000 -0.000) 5.763 1.949 ( -4.008 0.000 -0.000) 4.008 2.108 ( -1.549 0.000 -0.000) 1.549 2.150 ( -1.881 0.000 -0.000) 1.881 2.268 ( 9.490 -0.000 0.000) 9.490 2.280 ( -2.683 0.000 -0.000) 2.683 2.293 ( 0.548 -0.000 0.000) 0.548 2.402 ( 0.778 -0.000 0.000) 0.778 2.412 ( 5.999 -0.000 0.000) 5.999 2.460 ( -1.972 0.000 -0.000) 1.972 2.461 ( 1.880 -0.000 0.000) 1.880 2.478 ( 5.752 -0.000 0.000) 5.752 4.273 ( -8.461 0.000 -0.000) 8.461 4.282 ( -8.959 0.000 -0.000) 8.959 4.298 ( -0.394 0.000 -0.000) 0.394 4.305 ( -0.696 0.000 -0.000) 0.696 4.429 ( 0.120 -0.000 0.000) 0.120 4.500 ( -2.472 0.000 -0.000) 2.472 4.845 ( -2.974 0.000 -0.000) 2.974 4.918 ( -3.433 0.000 -0.000) 3.433 5.940 ( 2.965 -0.000 0.000) 2.965 5.972 ( 1.302 -0.000 0.000) 1.302 6.074 ( 1.469 -0.000 0.000) 1.469 6.130 ( 3.785 -0.000 0.000) 3.785 7.214 ( -1.231 0.000 -0.000) 1.231 7.340 ( -2.602 0.000 -0.000) 2.602 7.547 ( 2.112 -0.000 0.000) 2.112 7.553 ( 2.116 -0.000 0.000) 2.116 12.030 ( 0.614 -0.000 0.000) 0.614 12.070 ( 3.285 -0.000 0.000) 3.285 12.150 ( -0.458 0.000 -0.000) 0.458 12.204 ( -0.689 0.000 -0.000) 0.689 12.467 ( -2.367 0.000 -0.000) 2.367 12.481 ( -0.190 0.000 -0.000) 0.190 12.624 ( -0.046 0.000 -0.000) 0.046 12.637 ( -1.230 0.000 -0.000) 1.230 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( -0.000 8.603 11.901) 14.685 0.247 ( -0.000 13.308 5.111) 14.255 0.367 ( -0.000 12.311 4.991) 13.285 0.431 ( -0.000 18.535 9.703) 20.921 0.775 ( -0.000 3.672 -1.402) 3.930 0.814 ( -0.000 7.642 -3.324) 8.334 1.194 ( 0.000 -2.786 0.300) 2.803 1.208 ( -0.000 1.376 -3.793) 4.034 1.268 ( 0.000 0.063 -1.097) 1.099 1.443 ( -0.000 2.532 -4.526) 5.186 1.682 ( 0.000 -1.928 2.320) 3.017 1.857 ( 0.000 -5.995 1.298) 6.134 1.997 ( -0.000 0.433 -0.154) 0.460 2.008 ( -0.000 3.766 -1.422) 4.026 2.063 ( -0.000 1.138 1.995) 2.297 2.087 ( 0.000 -2.841 -6.558) 7.147 2.163 ( 0.000 -0.007 -7.622) 7.622 2.280 ( -0.000 0.895 0.267) 0.934 2.337 ( 0.000 -2.185 7.843) 8.141 2.355 ( 0.000 -0.706 -1.462) 1.624 2.378 ( -0.000 0.408 1.238) 1.303 2.409 ( 0.000 -4.477 4.937) 6.664 2.538 ( -0.000 2.668 1.805) 3.221 2.842 ( 0.000 0.239 -5.500) 5.505 4.298 ( 0.000 -1.254 0.145) 1.262 4.314 ( 0.000 -1.645 0.594) 1.749 4.403 ( -0.000 0.451 0.027) 0.452 4.424 ( -0.000 0.180 -1.040) 1.055 4.449 ( -0.000 0.506 1.363) 1.453 4.547 ( 0.000 0.016 -0.557) 0.557 4.898 ( 0.000 -0.332 0.072) 0.339 4.972 ( 0.000 -1.465 -0.458) 1.535 5.894 ( 0.000 -1.644 2.687) 3.150 5.963 ( 0.000 -0.934 -0.061) 0.936 6.048 ( -0.000 0.604 -0.012) 0.604 6.080 ( -0.000 1.238 -1.906) 2.273 7.240 ( -0.000 0.616 0.075) 0.620 7.244 ( -0.000 0.298 0.265) 0.399 7.499 ( -0.000 0.043 0.060) 0.073 7.504 ( 0.000 -0.005 0.004) 0.006 11.840 ( -0.000 0.998 0.429) 1.086 12.004 ( -0.000 1.681 -1.781) 2.449 12.117 ( -0.000 2.004 -3.881) 4.368 12.237 ( -0.000 2.088 -0.837) 2.249 12.498 ( 0.000 -0.404 0.339) 0.528 12.500 ( 0.000 -2.120 -0.039) 2.120 12.625 ( 0.000 -0.044 0.154) 0.160 12.660 ( 0.000 -0.168 -0.270) 0.318 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -6.793 8.592 7.427) 13.234 0.516 ( -8.263 10.040 5.326) 14.051 0.564 ( -8.183 8.489 7.080) 13.753 0.820 ( -15.336 9.745 0.014) 18.170 0.876 ( -13.439 6.001 -0.609) 14.730 1.064 ( -15.265 2.308 -4.946) 16.211 1.168 ( -3.136 0.252 -0.660) 3.215 1.203 ( -1.980 2.456 -2.688) 4.144 1.285 ( -4.777 -0.825 1.496) 5.074 1.472 ( -2.984 1.409 -1.546) 3.644 1.654 ( 2.430 -1.122 1.847) 3.252 1.823 ( 1.054 -5.947 0.352) 6.050 1.979 ( 2.779 -0.721 -1.798) 3.388 2.006 ( 0.708 -1.220 -1.149) 1.819 2.045 ( 0.433 -1.709 -5.300) 5.585 2.095 ( -1.869 1.666 -1.550) 2.945 2.141 ( -1.332 2.098 -5.217) 5.778 2.283 ( 1.130 -2.555 0.750) 2.893 2.329 ( -1.252 0.164 1.277) 1.796 2.369 ( -0.911 0.403 3.015) 3.175 2.400 ( -1.879 -1.588 3.294) 4.112 2.434 ( -2.925 -1.027 2.425) 3.936 2.542 ( 2.325 1.680 1.963) 3.476 2.660 ( 12.207 4.667 -0.662) 13.085 4.290 ( -0.003 -1.500 -0.081) 1.502 4.299 ( 0.380 -1.615 0.256) 1.679 4.376 ( 3.845 0.065 -0.144) 3.848 4.392 ( 4.019 -0.029 -0.157) 4.022 4.447 ( 0.734 0.832 1.081) 1.549 4.531 ( 1.537 -0.044 -0.660) 1.674 4.881 ( 1.647 -0.519 0.227) 1.741 4.940 ( 1.894 -1.781 -0.622) 2.673 5.905 ( -1.674 -0.423 0.940) 1.966 5.974 ( -1.407 -0.320 0.038) 1.443 6.057 ( -0.884 0.570 -0.331) 1.103 6.083 ( -1.069 0.920 0.300) 1.442 7.235 ( 0.896 0.118 -0.002) 0.903 7.293 ( -2.168 -2.081 -1.063) 3.187 7.514 ( -1.676 0.222 0.044) 1.691 7.520 ( -1.805 0.106 0.048) 1.809 11.925 ( -5.706 -2.013 -0.770) 6.100 12.033 ( -2.487 1.354 -1.859) 3.387 12.120 ( -0.431 0.103 -0.780) 0.897 12.241 ( 0.933 2.649 -1.525) 3.196 12.397 ( 4.211 -2.656 1.499) 5.199 12.558 ( -1.669 -0.333 -0.941) 1.945 12.627 ( -0.201 0.082 0.364) 0.424 12.653 ( 0.447 0.006 -0.272) 0.524 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -4.945 5.287 0.702) 7.274 0.727 ( -6.178 6.873 5.441) 10.725 0.765 ( -5.123 6.687 5.220) 9.910 0.918 ( -2.847 2.061 -5.841) 6.817 1.048 ( 1.070 3.317 -0.971) 3.618 1.170 ( 0.530 2.847 -3.570) 4.597 1.216 ( -8.096 0.131 4.166) 9.106 1.369 ( -3.375 -1.123 -0.498) 3.592 1.555 ( -3.057 -0.576 2.098) 3.752 1.650 ( -15.167 2.902 2.171) 15.595 1.674 ( -16.884 1.959 -1.252) 17.043 1.760 ( -2.195 -1.800 1.298) 3.121 1.889 ( 4.648 -1.805 -2.327) 5.502 1.971 ( 1.131 0.757 -4.597) 4.795 1.989 ( 2.485 -1.662 -1.227) 3.232 2.098 ( -1.298 -1.294 -4.903) 5.234 2.201 ( -4.869 -2.417 -1.167) 5.560 2.260 ( -0.934 0.936 1.455) 1.966 2.383 ( -1.539 1.324 1.523) 2.538 2.417 ( -2.846 -2.770 4.321) 5.869 2.435 ( -3.363 1.015 0.578) 3.561 2.492 ( 0.889 0.120 0.661) 1.114 2.523 ( -1.388 1.794 0.118) 2.272 2.542 ( 2.867 3.030 0.489) 4.200 4.266 ( 6.205 -0.546 -0.267) 6.235 4.277 ( 5.677 -0.498 0.028) 5.699 4.282 ( 3.114 -1.010 -0.105) 3.275 4.287 ( 2.600 -0.811 0.383) 2.750 4.443 ( 0.885 0.360 0.355) 1.019 4.495 ( 2.093 0.094 -0.328) 2.120 4.839 ( 2.824 -0.657 0.338) 2.919 4.882 ( 2.890 -1.569 -0.572) 3.337 5.950 ( -3.182 0.253 -0.064) 3.193 6.007 ( -2.063 1.061 0.397) 2.354 6.080 ( -1.398 -0.109 0.004) 1.403 6.117 ( -2.060 -0.381 0.188) 2.104 7.217 ( 1.171 -0.133 0.376) 1.237 7.278 ( 0.899 -1.822 -1.026) 2.276 7.552 ( -2.225 0.451 -0.078) 2.272 7.560 ( -2.243 0.337 0.184) 2.276 11.991 ( -3.972 -1.070 -0.369) 4.130 12.071 ( -2.020 -0.210 -1.965) 2.826 12.129 ( -0.746 -0.251 0.590) 0.984 12.233 ( 1.150 2.409 -1.851) 3.248 12.331 ( 2.468 -1.922 2.019) 3.723 12.556 ( 0.495 -0.737 -1.038) 1.366 12.632 ( 0.078 0.156 0.356) 0.397 12.646 ( 0.605 0.644 0.154) 0.897 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.931 0.554 -5.856) 5.955 0.827 ( 0.099 3.894 1.463) 4.161 0.917 ( -5.442 3.657 3.563) 7.462 0.971 ( -5.126 0.691 -0.780) 5.230 1.088 ( -1.515 3.863 -1.805) 4.525 1.168 ( 0.443 3.738 -0.422) 3.788 1.323 ( -3.644 -1.478 5.312) 6.609 1.383 ( -0.240 -1.345 1.595) 2.100 1.508 ( 5.135 0.783 1.898) 5.531 1.614 ( 5.373 -1.425 0.524) 5.584 1.744 ( 6.846 -1.300 -2.262) 7.327 1.827 ( 2.552 0.885 -0.767) 2.808 1.921 ( 1.164 -1.564 -5.782) 6.102 2.029 ( -3.145 -0.373 0.796) 3.266 2.036 ( -3.746 1.414 -0.953) 4.115 2.177 ( -12.596 2.069 -1.848) 12.898 2.228 ( -1.664 -3.215 0.673) 3.682 2.366 ( -2.245 1.027 3.392) 4.195 2.415 ( -0.963 -2.022 -0.214) 2.250 2.439 ( -1.035 -1.958 0.545) 2.280 2.490 ( -12.298 2.315 -0.866) 12.544 2.579 ( -8.931 1.808 0.005) 9.112 2.592 ( -10.730 1.102 0.741) 10.812 2.645 ( -8.679 1.581 0.772) 8.856 4.082 ( 13.325 -0.177 -0.117) 13.326 4.090 ( 13.409 -0.090 0.196) 13.411 4.268 ( -0.145 -1.008 -0.063) 1.020 4.278 ( -0.064 -0.637 -0.027) 0.641 4.422 ( 1.250 -0.406 -0.800) 1.538 4.468 ( 1.415 0.556 0.623) 1.643 4.783 ( 3.082 -0.788 0.178) 3.186 4.821 ( 2.778 -0.988 -0.188) 2.954 6.008 ( -3.233 0.711 -0.626) 3.369 6.060 ( -2.278 1.822 0.564) 2.971 6.099 ( -1.028 -0.539 0.524) 1.273 6.141 ( -1.386 -1.279 -0.259) 1.904 7.199 ( 1.001 -0.176 0.653) 1.209 7.242 ( 1.151 -1.375 -0.946) 2.028 7.591 ( -1.808 0.478 -0.057) 1.871 7.596 ( -1.520 0.335 0.117) 1.561 12.042 ( -2.642 -0.544 0.108) 2.699 12.083 ( -1.142 -1.289 -1.017) 2.000 12.134 ( -0.307 -0.890 -0.947) 1.336 12.237 ( -0.128 2.573 -0.268) 2.590 12.297 ( 1.787 -0.179 1.786) 2.533 12.532 ( 0.600 -1.297 -1.060) 1.779 12.630 ( 0.375 0.257 0.041) 0.457 12.640 ( 0.941 0.627 0.467) 1.223 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.593 -2.920 -7.480) 8.052 0.846 ( -0.216 2.290 0.759) 2.422 1.008 ( -2.824 0.299 2.216) 3.602 1.090 ( -4.877 1.845 -0.193) 5.218 1.116 ( -2.227 1.914 -1.022) 3.109 1.203 ( -0.744 1.674 1.247) 2.216 1.344 ( 2.600 -1.163 2.929) 4.085 1.403 ( -0.542 -0.165 2.058) 2.135 1.428 ( 4.782 1.029 2.093) 5.320 1.513 ( 5.052 -0.708 -0.818) 5.167 1.620 ( 4.859 -0.475 -1.866) 5.227 1.773 ( 3.409 1.437 0.305) 3.712 1.883 ( -0.532 -0.873 -3.960) 4.090 2.017 ( 0.477 -0.744 -1.231) 1.515 2.085 ( -2.166 -1.786 0.175) 2.813 2.184 ( 2.072 -0.961 -0.835) 2.432 2.305 ( -2.336 0.799 -0.956) 2.647 2.370 ( 1.709 0.757 1.781) 2.582 2.416 ( 0.298 0.070 1.300) 1.336 2.454 ( -1.243 -0.934 0.177) 1.565 2.661 ( -4.845 1.000 0.395) 4.963 2.697 ( -3.788 0.579 -0.733) 3.901 2.939 ( -24.062 0.152 -0.224) 24.063 2.974 ( -23.960 0.742 0.498) 23.977 3.816 ( 17.176 -0.132 -0.094) 17.177 3.826 ( 17.211 -0.007 0.149) 17.212 4.267 ( -0.334 -0.315 -0.049) 0.462 4.277 ( -0.182 -0.182 -0.041) 0.261 4.398 ( 0.471 -0.440 -0.807) 1.032 4.455 ( 0.957 0.488 0.632) 1.247 4.732 ( 1.912 -0.725 -0.156) 2.051 4.777 ( 1.593 -0.349 0.231) 1.647 6.059 ( -2.205 0.783 -0.581) 2.411 6.092 ( -0.380 -0.136 -0.393) 0.564 6.118 ( -0.231 0.199 1.111) 1.152 6.151 ( -1.532 -0.396 -0.021) 1.582 7.186 ( 0.708 -0.173 0.300) 0.788 7.219 ( 0.215 -0.659 -0.384) 0.792 7.616 ( -0.647 0.184 0.041) 0.674 7.618 ( -0.880 0.291 0.011) 0.927 12.066 ( -0.904 -0.938 -0.136) 1.310 12.090 ( -1.048 -1.298 -1.049) 1.971 12.132 ( -0.677 -0.261 0.096) 0.732 12.256 ( 0.377 0.036 1.848) 1.886 12.284 ( 0.819 3.283 -0.650) 3.446 12.512 ( -0.085 -1.734 -0.853) 1.934 12.624 ( 0.832 0.366 0.218) 0.934 12.629 ( 0.508 0.073 0.036) 0.515 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -2.609 -5.039 -5.807) 8.119 0.885 ( -0.392 3.615 1.855) 4.082 1.028 ( -0.197 -2.471 1.127) 2.723 1.108 ( 5.072 0.932 5.062) 7.227 1.201 ( 0.627 -0.252 -0.506) 0.844 1.224 ( -2.045 0.451 -0.808) 2.245 1.262 ( 0.929 0.651 -4.329) 4.476 1.340 ( 3.531 0.351 1.774) 3.967 1.423 ( 2.186 0.620 -2.850) 3.645 1.456 ( -0.223 -0.390 -0.599) 0.749 1.593 ( -3.236 -0.831 1.381) 3.615 1.752 ( 0.684 1.187 2.051) 2.466 1.898 ( -2.754 0.121 -1.026) 2.941 2.010 ( -0.709 -0.176 -1.090) 1.312 2.101 ( -1.609 -1.845 -0.409) 2.482 2.141 ( 1.388 -1.934 -0.685) 2.477 2.327 ( 0.038 1.472 -1.701) 2.249 2.362 ( 0.134 0.980 0.917) 1.349 2.415 ( 0.767 -0.204 2.035) 2.185 2.458 ( -0.122 -0.517 -0.701) 0.880 2.693 ( 1.417 -0.434 -0.298) 1.511 2.726 ( 0.287 -0.181 -0.045) 0.342 3.228 ( 0.523 -0.237 -0.322) 0.658 3.278 ( 0.087 0.467 0.395) 0.618 3.589 ( -0.376 0.046 0.008) 0.379 3.591 ( 0.094 0.084 0.049) 0.135 4.272 ( -0.352 0.223 -0.051) 0.420 4.280 ( -0.209 0.119 -0.004) 0.241 4.396 ( -0.746 -0.212 -0.339) 0.846 4.446 ( 0.672 0.226 0.322) 0.779 4.713 ( -0.401 -0.370 -0.357) 0.652 4.767 ( -0.413 0.143 0.368) 0.571 6.071 ( 0.901 -0.716 0.274) 1.183 6.094 ( 0.242 -0.784 -1.031) 1.317 6.105 ( 0.382 0.168 0.126) 0.436 6.186 ( -1.051 1.384 0.732) 1.886 7.177 ( 0.097 -0.138 -0.261) 0.311 7.223 ( -0.858 0.077 0.285) 0.907 7.620 ( 0.183 -0.032 -0.006) 0.186 7.625 ( 0.212 0.089 0.094) 0.248 12.068 ( -0.120 -0.752 -0.296) 0.817 12.090 ( -1.105 -1.255 -1.103) 2.003 12.150 ( -0.484 0.433 1.135) 1.307 12.240 ( 1.343 -1.279 1.830) 2.605 12.307 ( -0.006 5.017 -1.468) 5.227 12.503 ( -0.888 -2.144 -0.476) 2.369 12.611 ( 0.573 -0.104 0.014) 0.582 12.625 ( 0.114 -0.041 0.033) 0.126 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -5.291 -3.580 -2.162) 6.744 0.868 ( 7.590 2.504 1.396) 8.113 0.949 ( 10.624 -3.222 0.418) 11.109 1.048 ( -3.881 -2.079 0.388) 4.419 1.089 ( 7.571 0.206 -0.587) 7.596 1.200 ( 5.887 0.380 4.596) 7.478 1.302 ( -0.393 0.430 -5.414) 5.445 1.363 ( -2.527 0.481 -0.580) 2.637 1.384 ( -3.132 0.473 -2.753) 4.197 1.516 ( -7.323 -0.041 -0.796) 7.366 1.696 ( -7.102 0.244 1.767) 7.322 1.784 ( -2.291 0.980 2.333) 3.413 1.960 ( -3.576 0.504 1.305) 3.840 2.027 ( -1.516 0.237 -0.425) 1.592 2.080 ( 3.950 -0.687 -1.322) 4.222 2.121 ( -2.214 -3.259 -0.430) 3.963 2.317 ( 1.143 1.385 -1.724) 2.489 2.385 ( -0.560 1.195 0.965) 1.635 2.403 ( 0.988 -0.880 1.964) 2.367 2.446 ( 0.637 -0.170 -1.813) 1.929 2.613 ( 6.613 -1.206 -0.554) 6.745 2.683 ( 4.339 -0.620 0.193) 4.387 2.921 ( 24.796 -0.555 -0.274) 24.804 2.980 ( 24.562 0.683 0.341) 24.574 3.821 ( -17.291 0.085 -0.011) 17.291 3.827 ( -17.145 0.082 0.000) 17.145 4.281 ( -0.397 0.457 -0.033) 0.606 4.285 ( -0.234 0.218 0.000) 0.320 4.417 ( -1.786 0.008 0.092) 1.788 4.439 ( 0.368 -0.019 -0.031) 0.369 4.737 ( -2.542 -0.014 -0.335) 2.564 4.796 ( -2.444 0.432 0.325) 2.503 6.041 ( 1.908 -0.822 0.301) 2.099 6.053 ( 2.468 -1.091 -0.422) 2.731 6.110 ( 0.208 0.432 -0.441) 0.651 6.202 ( 0.685 1.156 0.539) 1.448 7.180 ( -0.618 -0.008 -0.362) 0.716 7.249 ( -1.779 0.493 0.447) 1.900 7.610 ( 0.968 -0.113 0.033) 0.975 7.613 ( 1.264 -0.113 0.060) 1.270 12.056 ( 0.544 -0.595 -0.488) 0.942 12.106 ( -1.588 -0.327 -0.295) 1.648 12.155 ( 0.769 0.031 0.655) 1.010 12.215 ( 1.206 -0.973 1.307) 2.027 12.344 ( -0.525 5.459 -0.995) 5.573 12.503 ( -1.287 -2.888 -0.189) 3.168 12.607 ( -0.278 -0.283 -0.023) 0.397 12.623 ( -0.009 -0.135 0.037) 0.140 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.074 -1.426 0.208) 1.443 0.659 ( 13.594 -1.895 -1.399) 13.797 0.782 ( 8.614 -0.894 -1.249) 8.750 0.974 ( 3.119 -0.817 -0.076) 3.225 1.071 ( 5.616 -0.505 2.168) 6.041 1.135 ( -1.100 -0.723 2.042) 2.430 1.262 ( 2.368 1.218 -3.560) 4.446 1.394 ( -1.705 -0.028 -0.259) 1.725 1.480 ( -6.450 0.084 -0.511) 6.471 1.664 ( -8.677 0.963 -0.169) 8.732 1.831 ( -7.084 0.497 0.875) 7.155 1.854 ( -1.780 2.083 1.605) 3.175 1.923 ( 11.865 -3.375 -0.425) 12.342 1.983 ( 6.239 -0.662 -0.498) 6.294 2.065 ( -1.555 2.205 0.586) 2.761 2.132 ( -1.605 -2.931 0.280) 3.353 2.297 ( 2.816 2.153 -0.615) 3.597 2.326 ( 6.933 -0.351 0.377) 6.952 2.419 ( 1.539 -0.270 -0.290) 1.589 2.424 ( -1.105 -0.219 0.769) 1.364 2.459 ( 8.885 -1.241 -1.180) 9.049 2.548 ( 11.522 -0.427 -0.310) 11.534 2.589 ( 7.003 -0.751 0.118) 7.044 2.597 ( 17.813 0.960 -0.211) 17.840 4.088 ( -13.262 0.074 0.042) 13.262 4.089 ( -13.518 0.023 -0.060) 13.518 4.292 ( -0.319 0.170 -0.005) 0.362 4.293 ( -0.576 0.370 -0.022) 0.685 4.432 ( 0.224 -0.033 -0.051) 0.232 4.456 ( -2.506 -0.014 0.052) 2.507 4.789 ( -3.419 0.108 -0.170) 3.425 4.854 ( -3.585 0.411 0.202) 3.614 5.995 ( 3.146 -0.332 -0.044) 3.163 6.004 ( 1.963 -0.741 -0.099) 2.101 6.098 ( 1.164 0.087 -0.247) 1.193 6.182 ( 2.503 0.543 0.203) 2.569 7.194 ( -1.107 0.030 -0.221) 1.129 7.292 ( -2.443 0.571 0.365) 2.536 7.583 ( 1.978 -0.121 0.043) 1.982 7.586 ( 1.696 -0.096 0.016) 1.699 12.041 ( 0.731 -0.091 -0.143) 0.751 12.122 ( 1.989 0.339 -0.017) 2.017 12.135 ( -0.790 -0.497 0.048) 0.935 12.201 ( 0.285 -0.541 0.879) 1.071 12.400 ( -1.392 5.776 -0.323) 5.950 12.498 ( -1.157 -4.186 -0.070) 4.344 12.617 ( -1.017 -0.145 0.041) 1.029 12.623 ( -0.060 -0.091 0.013) 0.110 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -0.000 10.750 7.901) 13.341 0.311 ( -0.000 9.200 9.906) 13.519 0.446 ( -0.000 7.690 12.663) 14.815 0.532 ( -0.000 13.155 13.491) 18.843 0.758 ( -0.000 4.989 -2.134) 5.426 0.774 ( -0.000 7.307 -5.800) 9.329 1.148 ( 0.000 1.053 -8.401) 8.467 1.202 ( 0.000 -2.175 -1.162) 2.466 1.260 ( -0.000 1.022 0.009) 1.022 1.407 ( -0.000 3.360 -3.525) 4.870 1.702 ( 0.000 -1.864 2.290) 2.953 1.870 ( 0.000 -5.637 1.478) 5.828 1.991 ( -0.000 2.041 -2.590) 3.298 1.996 ( -0.000 0.499 -0.194) 0.535 2.043 ( 0.000 -5.587 -3.910) 6.820 2.081 ( -0.000 1.438 -1.075) 1.795 2.094 ( -0.000 1.568 -4.066) 4.358 2.287 ( -0.000 0.476 1.352) 1.433 2.330 ( -0.000 1.913 -3.803) 4.257 2.361 ( 0.000 -1.554 -0.129) 1.559 2.419 ( 0.000 -1.000 5.510) 5.600 2.446 ( 0.000 -4.132 3.303) 5.290 2.563 ( -0.000 2.357 4.040) 4.677 2.795 ( -0.000 0.972 -5.160) 5.251 4.300 ( 0.000 -1.250 0.278) 1.280 4.318 ( 0.000 -1.683 0.167) 1.691 4.403 ( -0.000 0.447 0.064) 0.451 4.417 ( -0.000 0.201 -0.604) 0.637 4.460 ( -0.000 0.728 1.344) 1.528 4.540 ( 0.000 0.072 -1.055) 1.057 4.901 ( 0.000 -0.664 0.657) 0.934 4.966 ( 0.000 -1.439 -0.874) 1.684 5.917 ( 0.000 -2.656 2.355) 3.549 5.962 ( 0.000 -1.036 -0.147) 1.046 6.048 ( -0.000 0.659 -0.023) 0.659 6.064 ( -0.000 2.029 -1.527) 2.540 7.241 ( -0.000 0.620 0.134) 0.635 7.246 ( -0.000 0.476 0.141) 0.496 7.500 ( -0.000 0.023 0.105) 0.107 7.504 ( 0.000 -0.017 -0.002) 0.017 11.845 ( -0.000 1.066 0.882) 1.384 11.977 ( -0.000 2.468 -4.023) 4.719 12.103 ( -0.000 2.468 0.471) 2.513 12.226 ( -0.000 1.925 -1.596) 2.501 12.500 ( 0.000 -1.923 -0.058) 1.924 12.500 ( 0.000 -0.601 0.095) 0.609 12.627 ( -0.000 -0.035 0.307) 0.308 12.656 ( 0.000 -0.141 -0.493) 0.513 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -5.124 7.000 7.156) 11.246 0.582 ( -8.360 8.284 9.256) 14.973 0.633 ( -7.268 6.310 9.053) 13.214 0.800 ( -3.356 7.683 -4.245) 9.397 0.891 ( -22.668 6.717 3.422) 23.889 1.022 ( -12.747 2.961 -4.604) 13.872 1.127 ( -1.316 1.551 -7.445) 7.718 1.196 ( -8.023 3.217 -0.406) 8.653 1.300 ( -4.395 -0.752 1.922) 4.855 1.456 ( -4.521 2.185 -2.086) 5.438 1.674 ( 2.625 -1.105 2.856) 4.033 1.824 ( 1.812 -4.874 -0.192) 5.204 1.964 ( 2.675 -1.036 -2.493) 3.801 1.975 ( 1.372 -2.992 -5.951) 6.801 2.010 ( -0.967 -0.149 -0.932) 1.351 2.067 ( -0.306 0.141 -5.083) 5.095 2.136 ( -1.696 3.168 2.917) 4.629 2.288 ( 0.962 -2.391 0.402) 2.608 2.336 ( -1.534 0.185 -0.075) 1.547 2.360 ( -1.918 1.965 -2.068) 3.438 2.441 ( -1.251 0.155 3.565) 3.782 2.459 ( -2.078 -2.697 3.447) 4.845 2.564 ( 3.003 0.955 3.069) 4.399 2.653 ( 10.284 2.409 -0.877) 10.599 4.290 ( 0.138 -1.581 0.072) 1.588 4.300 ( 0.426 -1.568 0.065) 1.626 4.375 ( 3.828 0.072 -0.134) 3.831 4.391 ( 3.754 0.147 -0.133) 3.759 4.458 ( 1.024 0.696 1.426) 1.889 4.523 ( 1.422 0.020 -1.067) 1.778 4.885 ( 1.614 -0.720 0.603) 1.867 4.933 ( 1.865 -1.689 -0.966) 2.696 5.913 ( -1.150 -0.845 0.946) 1.713 5.975 ( -1.556 -0.338 0.046) 1.593 6.055 ( -1.024 0.424 -0.293) 1.146 6.086 ( -1.447 0.809 0.264) 1.678 7.235 ( 0.660 -0.044 -0.003) 0.662 7.283 ( -1.532 -0.943 -1.022) 2.069 7.515 ( -1.617 0.225 0.098) 1.635 7.521 ( -1.860 0.137 -0.006) 1.865 11.919 ( -5.097 -1.036 -0.638) 5.240 12.009 ( -3.193 1.388 -3.198) 4.728 12.122 ( -0.332 0.921 1.287) 1.617 12.226 ( 0.895 2.260 -2.029) 3.166 12.409 ( 3.936 -2.599 1.226) 4.873 12.550 ( -1.556 -0.182 -0.861) 1.787 12.631 ( -0.255 0.166 0.394) 0.498 12.650 ( 0.332 0.075 -0.399) 0.525 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -2.017 2.551 1.057) 3.420 0.775 ( -3.558 6.458 4.713) 8.750 0.812 ( -5.423 4.857 5.501) 9.125 0.878 ( -3.668 3.476 -2.747) 5.752 1.033 ( 0.188 4.055 -2.149) 4.593 1.131 ( -0.547 3.386 -5.132) 6.173 1.252 ( -9.613 0.002 4.019) 10.419 1.364 ( -3.513 -0.702 -0.630) 3.637 1.575 ( -2.921 -0.138 2.490) 3.840 1.663 ( -22.431 3.012 -0.849) 22.648 1.673 ( -7.585 1.431 2.607) 8.147 1.769 ( -3.902 -0.765 0.575) 4.017 1.874 ( 4.951 -1.987 -1.393) 5.514 1.908 ( 0.956 -1.183 -7.444) 7.598 1.997 ( 1.784 0.418 1.068) 2.121 2.057 ( -1.347 -0.988 -4.606) 4.900 2.197 ( -4.606 -2.842 0.084) 5.413 2.274 ( -0.985 0.924 1.940) 2.364 2.375 ( -1.949 1.301 -2.361) 3.326 2.437 ( -5.497 2.622 0.361) 6.100 2.463 ( 0.670 -3.457 4.828) 5.976 2.502 ( 1.647 -1.659 1.367) 2.708 2.525 ( -1.457 1.939 0.349) 2.451 2.545 ( 2.153 3.062 0.014) 3.743 4.264 ( 6.015 -0.592 -0.148) 6.046 4.277 ( 5.207 -0.503 -0.065) 5.232 4.281 ( 2.864 -1.076 -0.090) 3.061 4.290 ( 3.505 -0.682 0.326) 3.586 4.446 ( 1.414 -0.000 0.402) 1.470 4.492 ( 1.667 0.357 -0.372) 1.745 4.843 ( 2.823 -0.867 0.517) 2.998 4.876 ( 2.781 -1.341 -0.736) 3.174 5.949 ( -2.914 0.010 -0.047) 2.914 6.010 ( -2.197 1.150 0.346) 2.504 6.080 ( -1.784 -0.524 0.021) 1.859 6.118 ( -1.735 -0.168 0.182) 1.753 7.221 ( 0.869 -0.355 0.506) 1.067 7.269 ( 1.080 -1.337 -1.123) 2.053 7.552 ( -2.169 0.464 -0.023) 2.218 7.561 ( -2.260 0.390 0.117) 2.296 11.988 ( -4.217 -0.831 -0.341) 4.311 12.054 ( -2.451 -0.239 -1.971) 3.154 12.135 ( -0.158 -0.372 0.797) 0.894 12.219 ( 0.751 2.580 -1.440) 3.049 12.346 ( 2.386 -1.563 1.497) 3.221 12.547 ( 0.526 -0.833 -0.911) 1.342 12.634 ( 0.236 0.156 0.137) 0.315 12.648 ( 0.355 0.783 0.231) 0.890 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.169 -1.247 -4.457) 4.631 0.835 ( 0.342 2.651 0.455) 2.711 0.948 ( -3.749 3.320 3.471) 6.093 0.969 ( -6.114 1.846 0.126) 6.388 1.073 ( -0.830 3.547 -1.769) 4.050 1.164 ( -1.386 4.844 -0.359) 5.051 1.361 ( -3.334 -1.575 3.445) 5.046 1.396 ( -1.376 -1.016 1.216) 2.099 1.529 ( 5.382 0.559 2.866) 6.123 1.611 ( 5.737 -0.906 -1.268) 5.945 1.736 ( 7.480 -0.985 0.289) 7.550 1.819 ( 1.898 0.239 -1.244) 2.282 1.872 ( 0.667 -0.858 -5.117) 5.231 2.019 ( -0.492 0.124 -1.768) 1.839 2.047 ( -4.639 -0.812 1.653) 4.991 2.162 ( -14.457 3.123 -1.393) 14.856 2.233 ( -1.042 -3.486 0.453) 3.667 2.385 ( -4.371 -0.007 0.920) 4.467 2.421 ( 0.079 -1.052 1.691) 1.993 2.443 ( -0.298 -1.606 0.349) 1.670 2.481 ( -12.877 1.938 -1.171) 13.075 2.579 ( -7.597 1.823 0.027) 7.813 2.598 ( -10.309 0.794 0.620) 10.358 2.651 ( -9.262 1.747 0.571) 9.442 4.081 ( 13.318 -0.189 -0.069) 13.320 4.092 ( 13.423 -0.077 0.133) 13.424 4.267 ( -0.179 -1.055 -0.049) 1.072 4.278 ( -0.025 -0.624 -0.025) 0.625 4.416 ( 1.434 -0.605 -0.544) 1.649 4.472 ( 1.262 0.706 0.402) 1.500 4.784 ( 3.124 -1.090 0.164) 3.313 4.819 ( 2.666 -0.655 -0.171) 2.750 6.004 ( -3.153 0.552 -0.397) 3.226 6.063 ( -2.098 1.803 0.255) 2.778 6.104 ( -1.622 -0.846 0.623) 1.932 6.138 ( -1.004 -0.896 -0.318) 1.383 7.206 ( 0.959 -0.364 0.876) 1.349 7.233 ( 1.092 -1.131 -1.110) 1.925 7.590 ( -1.820 0.518 -0.027) 1.892 7.597 ( -1.467 0.345 0.074) 1.509 12.044 ( -2.795 -0.799 0.198) 2.913 12.074 ( -1.433 -1.078 -1.040) 2.073 12.128 ( -0.148 -1.236 -0.508) 1.345 12.234 ( -0.085 3.669 -0.242) 3.678 12.311 ( 1.753 -0.659 1.385) 2.330 12.524 ( 0.523 -1.443 -0.867) 1.763 12.630 ( 0.369 0.251 0.024) 0.447 12.643 ( 1.001 0.631 0.336) 1.230 ======================= Grid point 134 (54/171) ======================= q-point: ( 0.70 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.991 -4.662 -4.570) 6.603 0.851 ( -0.950 1.609 0.336) 1.899 1.031 ( -2.654 1.603 3.012) 4.323 1.081 ( -1.852 1.682 -1.954) 3.174 1.109 ( -6.044 1.368 -0.423) 6.211 1.215 ( 0.173 2.834 1.195) 3.081 1.367 ( 3.374 -1.081 2.564) 4.374 1.407 ( 2.725 0.089 -0.933) 2.882 1.449 ( 3.489 -0.295 2.589) 4.355 1.497 ( 4.339 -0.886 -2.381) 5.028 1.619 ( 5.211 -0.016 0.820) 5.276 1.780 ( 2.748 1.428 1.474) 3.430 1.848 ( -1.869 -0.966 -3.957) 4.481 2.003 ( 0.438 -0.092 -1.561) 1.624 2.088 ( -2.075 -2.500 0.380) 3.271 2.183 ( 1.796 -2.559 0.300) 3.141 2.295 ( -1.977 1.642 -1.240) 2.853 2.383 ( 2.385 0.869 1.108) 2.770 2.428 ( 0.119 0.281 1.339) 1.373 2.453 ( -1.301 -0.991 -0.355) 1.674 2.665 ( -4.768 0.610 0.471) 4.830 2.691 ( -4.078 0.698 -0.681) 4.193 2.937 ( -24.052 0.039 -0.102) 24.052 2.978 ( -23.720 0.944 0.272) 23.740 3.815 ( 17.167 -0.147 -0.049) 17.168 3.827 ( 17.223 0.018 0.082) 17.223 4.267 ( -0.350 -0.359 -0.031) 0.502 4.277 ( -0.187 -0.166 -0.025) 0.251 4.393 ( 0.348 -0.549 -0.433) 0.781 4.459 ( 1.036 0.584 0.325) 1.232 4.731 ( 1.945 -0.944 -0.086) 2.164 4.779 ( 1.566 -0.121 0.133) 1.577 6.056 ( -2.364 0.717 -0.292) 2.487 6.089 ( -0.241 -0.277 -0.232) 0.434 6.126 ( 0.297 -0.441 0.702) 0.880 6.150 ( -2.030 0.476 -0.106) 2.088 7.188 ( 0.966 -0.410 0.225) 1.073 7.216 ( -0.094 -0.402 -0.277) 0.497 7.616 ( -0.601 0.160 0.023) 0.622 7.618 ( -0.920 0.359 0.010) 0.988 12.067 ( -0.942 -1.220 0.303) 1.571 12.080 ( -0.845 -1.409 -1.163) 2.013 12.135 ( -1.283 -0.156 0.393) 1.351 12.264 ( 0.100 3.750 0.049) 3.752 12.283 ( 1.533 -0.073 0.535) 1.625 12.506 ( -0.265 -1.894 -0.569) 1.995 12.626 ( 0.688 0.271 0.215) 0.770 12.629 ( 0.725 0.122 -0.065) 0.738 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -3.744 -6.142 -2.197) 7.521 0.896 ( -1.255 2.924 0.614) 3.240 1.034 ( 0.815 -2.204 0.437) 2.390 1.156 ( 2.756 3.391 5.661) 7.151 1.198 ( 1.809 -0.476 -0.186) 1.880 1.209 ( 4.784 0.931 -3.957) 6.278 1.229 ( -3.911 -1.088 -1.655) 4.384 1.353 ( 1.748 -0.740 1.019) 2.155 1.401 ( 5.296 1.161 -1.719) 5.688 1.451 ( -0.414 -0.403 -0.445) 0.729 1.606 ( -3.828 -1.070 1.033) 4.107 1.767 ( 0.614 1.554 1.237) 2.079 1.889 ( -4.324 -0.371 -0.812) 4.415 1.999 ( -0.536 0.547 -0.872) 1.160 2.099 ( -1.138 -1.797 -0.222) 2.138 2.141 ( 0.741 -3.425 0.310) 3.518 2.316 ( 0.323 1.767 -0.810) 1.971 2.367 ( 0.339 1.085 0.278) 1.170 2.432 ( 0.496 0.233 1.717) 1.803 2.450 ( 0.328 -0.750 -1.151) 1.413 2.691 ( 1.580 -0.576 -0.099) 1.684 2.726 ( 0.120 -0.170 -0.033) 0.211 3.226 ( 0.549 -0.323 -0.109) 0.646 3.281 ( 0.067 0.580 0.137) 0.600 3.589 ( -0.407 0.051 0.004) 0.410 3.592 ( 0.150 0.100 0.018) 0.181 4.272 ( -0.360 0.202 -0.020) 0.413 4.280 ( -0.218 0.120 -0.002) 0.248 4.394 ( -0.926 -0.313 -0.120) 0.985 4.448 ( 0.795 0.323 0.113) 0.866 4.711 ( -0.379 -0.475 -0.125) 0.620 4.769 ( -0.408 0.251 0.130) 0.496 6.074 ( 0.908 -1.006 0.285) 1.385 6.087 ( -0.144 -0.291 -0.585) 0.669 6.106 ( 0.803 -0.142 0.086) 0.820 6.190 ( -1.067 1.528 0.252) 1.880 7.176 ( 0.187 -0.219 -0.093) 0.302 7.224 ( -0.972 0.166 0.102) 0.992 7.620 ( 0.182 -0.027 -0.001) 0.184 7.626 ( 0.208 0.114 0.034) 0.240 12.067 ( 0.097 -1.006 -0.066) 1.013 12.083 ( -1.399 -1.102 -0.423) 1.830 12.157 ( -0.618 0.266 0.474) 0.823 12.251 ( 1.481 -1.189 0.701) 2.024 12.298 ( 0.094 5.221 -0.631) 5.260 12.500 ( -1.055 -2.285 -0.201) 2.524 12.612 ( 0.617 -0.153 0.018) 0.636 12.625 ( 0.108 0.004 0.003) 0.109 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -6.059 -3.927 -0.000) 7.220 0.874 ( 7.779 2.325 0.000) 8.119 0.951 ( 11.987 -3.285 0.000) 12.429 1.050 ( -4.138 -2.108 -0.000) 4.644 1.086 ( 7.537 0.273 0.000) 7.542 1.237 ( 6.037 -0.396 0.000) 6.050 1.260 ( -0.070 1.984 0.000) 1.985 1.361 ( -1.799 0.379 -0.000) 1.838 1.373 ( -4.891 0.100 -0.000) 4.892 1.512 ( -7.439 -0.150 -0.000) 7.440 1.704 ( -7.091 0.034 -0.000) 7.091 1.794 ( -2.201 1.349 -0.000) 2.581 1.966 ( -4.430 -0.207 -0.000) 4.435 2.023 ( -1.467 1.508 0.000) 2.104 2.075 ( 3.979 -1.268 0.000) 4.176 2.120 ( -2.059 -3.820 -0.000) 4.340 2.309 ( 1.280 1.515 0.000) 1.983 2.388 ( -1.175 1.218 0.000) 1.693 2.418 ( 1.888 -0.987 0.000) 2.130 2.432 ( 0.514 0.073 0.000) 0.519 2.611 ( 6.677 -1.266 0.000) 6.796 2.684 ( 4.275 -0.628 0.000) 4.321 2.920 ( 24.812 -0.583 0.000) 24.819 2.981 ( 24.577 0.734 0.000) 24.588 3.821 ( -17.294 0.072 -0.000) 17.294 3.827 ( -17.127 0.098 -0.000) 17.127 4.281 ( -0.403 0.452 0.000) 0.605 4.285 ( -0.233 0.212 0.000) 0.315 4.417 ( -1.947 -0.102 -0.000) 1.950 4.438 ( 0.523 0.086 0.000) 0.530 4.735 ( -2.544 -0.041 -0.000) 2.544 4.798 ( -2.448 0.463 -0.000) 2.492 6.043 ( 1.726 -1.085 0.000) 2.039 6.050 ( 2.653 -0.841 0.000) 2.783 6.108 ( 0.230 0.417 0.000) 0.476 6.204 ( 0.712 1.189 0.000) 1.386 7.178 ( -0.594 -0.026 -0.000) 0.594 7.251 ( -1.827 0.513 -0.000) 1.898 7.610 ( 0.950 -0.108 0.000) 0.956 7.613 ( 1.283 -0.103 0.000) 1.287 12.054 ( 0.526 -0.660 -0.000) 0.844 12.105 ( -1.669 -0.305 -0.000) 1.696 12.157 ( 0.868 -0.081 0.000) 0.871 12.220 ( 1.176 -0.907 -0.000) 1.485 12.340 ( -0.557 5.579 0.000) 5.607 12.502 ( -1.360 -2.979 -0.000) 3.275 12.607 ( -0.286 -0.282 -0.000) 0.402 12.624 ( 0.004 -0.100 -0.000) 0.101 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 8.459 0.000 10.388) 13.397 0.551 ( 10.300 0.000 2.979) 10.722 0.672 ( 9.561 0.000 7.056) 11.882 0.871 ( 8.266 0.000 -6.192) 10.328 1.003 ( -6.118 -0.000 -2.663) 6.673 1.126 ( 0.186 0.000 -4.914) 4.917 1.219 ( 12.795 0.000 4.743) 13.645 1.406 ( 0.961 0.000 -1.388) 1.688 1.556 ( 13.635 0.000 0.154) 13.636 1.592 ( 28.789 0.000 -0.998) 28.807 1.614 ( 1.961 0.000 3.281) 3.822 1.805 ( -6.105 -0.000 -0.298) 6.112 1.939 ( -3.038 -0.000 -1.262) 3.290 1.954 ( -6.188 -0.000 0.621) 6.219 2.054 ( -0.001 0.000 -5.743) 5.743 2.072 ( -0.278 0.000 -6.214) 6.220 2.220 ( 8.547 0.000 0.259) 8.551 2.316 ( -3.094 -0.000 2.409) 3.921 2.348 ( 2.592 0.000 1.373) 2.933 2.359 ( 2.566 0.000 -3.294) 4.175 2.447 ( 0.298 -0.000 1.052) 1.093 2.478 ( 5.114 0.000 -0.144) 5.116 2.493 ( -0.954 -0.000 5.032) 5.122 2.512 ( -0.024 -0.000 3.863) 3.864 4.273 ( -8.198 -0.000 -0.017) 8.198 4.280 ( -8.646 -0.000 -0.187) 8.648 4.300 ( -0.601 -0.000 0.160) 0.622 4.307 ( -0.947 -0.000 0.089) 0.951 4.437 ( -0.194 -0.000 0.875) 0.896 4.494 ( -2.340 -0.000 -0.616) 2.420 4.851 ( -2.958 -0.000 0.637) 3.025 4.910 ( -3.392 -0.000 -0.871) 3.502 5.950 ( 2.398 0.000 0.944) 2.577 5.972 ( 1.320 0.000 -0.006) 1.320 6.083 ( 1.506 0.000 0.921) 1.765 6.127 ( 3.507 0.000 -0.314) 3.521 7.220 ( -1.079 -0.000 0.772) 1.326 7.318 ( -1.622 -0.000 -2.258) 2.780 7.546 ( 2.172 0.000 -0.076) 2.173 7.551 ( 2.096 0.000 -0.126) 2.100 12.016 ( 2.437 0.000 -0.892) 2.595 12.093 ( 1.569 0.000 2.001) 2.543 12.113 ( 2.697 0.000 -4.070) 4.883 12.184 ( -1.213 -0.000 -1.482) 1.915 12.470 ( -2.081 -0.000 0.279) 2.099 12.485 ( -0.396 -0.000 0.206) 0.446 12.624 ( -0.141 -0.000 0.029) 0.144 12.634 ( -1.127 -0.000 -0.284) 1.162 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -0.000 8.727 8.693) 12.318 0.390 ( -0.000 10.130 8.907) 13.489 0.558 ( -0.000 4.446 11.700) 12.516 0.643 ( -0.000 5.060 10.473) 11.632 0.717 ( -0.000 6.960 -7.301) 10.087 0.758 ( -0.000 9.086 4.702) 10.231 1.064 ( -0.000 1.449 -11.104) 11.198 1.167 ( 0.000 -0.336 -6.757) 6.765 1.275 ( -0.000 0.769 2.899) 3.000 1.381 ( -0.000 2.537 -2.830) 3.800 1.723 ( 0.000 -1.289 2.757) 3.043 1.874 ( 0.000 -4.140 -1.323) 4.346 1.964 ( 0.000 -0.241 -3.235) 3.244 1.994 ( -0.000 0.363 -0.393) 0.535 2.016 ( 0.000 -6.558 -2.517) 7.024 2.034 ( -0.000 0.746 -4.034) 4.102 2.118 ( -0.000 3.133 4.106) 5.165 2.292 ( -0.000 2.777 -4.981) 5.703 2.301 ( -0.000 0.268 1.881) 1.900 2.356 ( 0.000 -1.071 -0.797) 1.335 2.454 ( -0.000 -0.026 2.757) 2.757 2.465 ( 0.000 -2.925 1.405) 3.245 2.603 ( -0.000 1.186 5.085) 5.221 2.755 ( 0.000 0.042 -4.210) 4.211 4.303 ( 0.000 -1.250 0.386) 1.308 4.317 ( 0.000 -1.507 -0.217) 1.523 4.404 ( -0.000 0.440 0.116) 0.455 4.413 ( -0.000 0.257 -0.400) 0.475 4.473 ( -0.000 0.729 1.513) 1.680 4.529 ( 0.000 0.164 -1.442) 1.451 4.909 ( 0.000 -0.969 1.141) 1.496 4.957 ( 0.000 -1.398 -1.210) 1.849 5.933 ( 0.000 -2.531 1.596) 2.992 5.960 ( 0.000 -1.205 -0.275) 1.236 6.047 ( -0.000 0.764 -0.024) 0.765 6.054 ( -0.000 1.904 -0.815) 2.071 7.242 ( -0.000 0.630 0.167) 0.652 7.247 ( -0.000 0.616 0.007) 0.616 7.501 ( -0.000 -0.003 0.125) 0.125 7.504 ( 0.000 -0.032 -0.022) 0.039 11.855 ( -0.000 1.183 1.380) 1.818 11.942 ( -0.000 2.400 -3.855) 4.541 12.117 ( -0.000 1.715 2.398) 2.948 12.210 ( -0.000 1.707 -2.217) 2.798 12.499 ( 0.000 -1.647 -0.047) 1.647 12.500 ( 0.000 -0.696 -0.042) 0.697 12.630 ( -0.000 -0.026 0.453) 0.454 12.651 ( 0.000 -0.104 -0.640) 0.648 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -4.012 6.145 7.240) 10.309 0.651 ( -8.772 5.853 5.130) 11.727 0.717 ( -5.006 4.981 9.966) 12.214 0.765 ( -3.718 6.683 -2.253) 7.972 0.913 ( -19.565 3.479 0.431) 19.876 0.998 ( -10.537 6.035 0.021) 12.143 1.054 ( -2.803 2.086 -9.412) 10.039 1.186 ( -12.047 5.177 -1.900) 13.249 1.316 ( -3.309 -0.569 1.657) 3.744 1.438 ( -5.993 2.621 -1.849) 6.797 1.703 ( 2.580 -0.877 3.916) 4.771 1.816 ( 2.456 -3.371 -1.976) 4.615 1.911 ( 1.933 -2.146 -6.157) 6.801 1.963 ( 2.446 -2.537 0.209) 3.530 2.006 ( -1.691 -1.435 -0.522) 2.279 2.029 ( 0.005 0.828 -3.448) 3.546 2.167 ( -0.788 2.457 3.921) 4.694 2.288 ( 0.464 -1.642 -0.602) 1.809 2.320 ( -1.730 1.532 -2.718) 3.568 2.354 ( -1.855 0.729 0.381) 2.030 2.460 ( -1.215 1.158 1.307) 2.127 2.485 ( -1.669 -1.670 2.189) 3.219 2.591 ( 3.737 -0.182 3.096) 4.856 2.645 ( 8.139 0.451 -1.077) 8.223 4.291 ( 0.292 -1.667 0.152) 1.700 4.300 ( 0.393 -1.500 -0.086) 1.553 4.374 ( 3.826 0.072 -0.076) 3.828 4.390 ( 3.616 0.301 -0.095) 3.630 4.471 ( 1.200 0.525 1.586) 2.057 4.513 ( 1.269 0.159 -1.375) 1.878 4.891 ( 1.665 -0.984 0.978) 2.167 4.924 ( 1.815 -1.551 -1.199) 2.672 5.920 ( -0.743 -1.105 0.641) 1.478 5.975 ( -1.712 -0.356 0.037) 1.749 6.053 ( -1.148 0.270 -0.183) 1.193 6.087 ( -1.762 0.728 0.165) 1.914 7.235 ( 0.404 -0.217 -0.003) 0.459 7.276 ( -0.847 -0.095 -0.659) 1.077 7.516 ( -1.571 0.209 0.122) 1.590 7.520 ( -1.901 0.174 -0.059) 1.910 11.915 ( -4.245 -0.198 -0.233) 4.256 11.984 ( -3.824 1.512 -2.603) 4.866 12.138 ( -0.028 0.970 2.242) 2.443 12.207 ( 0.632 1.954 -2.348) 3.119 12.418 ( 3.703 -2.418 0.731) 4.482 12.544 ( -1.431 -0.129 -0.553) 1.539 12.634 ( -0.197 0.211 0.411) 0.502 12.646 ( 0.165 0.164 -0.462) 0.517 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.779 0.166 0.998) 1.277 0.791 ( -3.872 4.679 -0.577) 6.101 0.850 ( -3.546 3.949 3.291) 6.245 0.887 ( -3.287 5.236 3.957) 7.340 1.016 ( -1.361 4.433 -1.644) 4.920 1.086 ( -2.372 4.457 -5.036) 7.131 1.281 ( -10.317 -0.109 2.429) 10.600 1.358 ( -3.419 -0.341 -0.553) 3.480 1.595 ( -3.558 0.871 1.823) 4.091 1.655 ( -18.575 1.884 -0.691) 18.683 1.700 ( -8.889 1.583 3.550) 9.702 1.767 ( -6.093 0.239 -1.163) 6.207 1.840 ( 1.416 -1.765 -5.261) 5.726 1.880 ( 5.221 -1.591 0.191) 5.462 2.004 ( 1.000 0.586 0.549) 1.282 2.022 ( -1.281 -1.078 -3.328) 3.726 2.199 ( -3.787 -3.477 0.309) 5.151 2.294 ( -1.177 1.551 2.537) 3.198 2.350 ( -1.812 1.115 -3.155) 3.805 2.440 ( -5.752 2.670 0.320) 6.349 2.495 ( 1.673 -3.254 2.577) 4.475 2.512 ( 1.186 -2.648 0.821) 3.015 2.529 ( -1.852 2.225 0.572) 2.951 2.543 ( 2.385 3.006 -0.352) 3.853 4.263 ( 5.953 -0.615 -0.060) 5.985 4.276 ( 5.022 -0.507 -0.058) 5.048 4.281 ( 2.671 -1.127 -0.049) 2.900 4.292 ( 3.932 -0.593 0.174) 3.980 4.449 ( 1.960 -0.375 0.284) 2.016 4.489 ( 1.202 0.655 -0.264) 1.394 4.847 ( 2.907 -1.176 0.543) 3.182 4.870 ( 2.620 -1.021 -0.672) 2.891 5.949 ( -2.730 -0.161 -0.023) 2.735 6.013 ( -2.267 1.214 0.192) 2.579 6.080 ( -2.094 -0.841 0.020) 2.257 6.120 ( -1.492 -0.017 0.110) 1.496 7.225 ( 0.456 -0.655 0.458) 0.920 7.260 ( 1.417 -0.841 -0.824) 1.842 7.552 ( -2.125 0.469 0.002) 2.176 7.562 ( -2.278 0.437 0.051) 2.320 11.986 ( -4.418 -0.675 -0.198) 4.473 12.040 ( -2.749 -0.088 -1.183) 2.994 12.141 ( 0.584 -0.804 0.595) 1.158 12.209 ( 0.176 2.948 -0.851) 3.074 12.356 ( 2.300 -1.341 0.793) 2.778 12.541 ( 0.581 -0.929 -0.526) 1.215 12.635 ( 0.329 0.181 0.024) 0.376 12.649 ( 0.179 0.871 0.155) 0.903 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.855 -2.352 -1.682) 3.015 0.837 ( 0.311 1.989 0.078) 2.014 0.969 ( -6.220 2.835 0.640) 6.865 0.973 ( -2.852 2.812 1.199) 4.181 1.060 ( -0.488 3.101 -0.986) 3.290 1.162 ( -2.629 5.578 -0.148) 6.168 1.381 ( -2.625 -1.266 1.192) 3.148 1.403 ( -2.462 -1.147 0.432) 2.750 1.553 ( 5.216 0.354 2.284) 5.705 1.596 ( 6.822 -0.306 -1.696) 7.037 1.742 ( 7.392 -0.604 0.649) 7.445 1.807 ( -0.288 -2.056 -1.145) 2.370 1.843 ( 2.140 0.924 -1.496) 2.769 2.006 ( 0.243 -0.085 -0.915) 0.950 2.057 ( -4.238 -1.593 0.669) 4.577 2.154 ( -16.166 3.694 -0.473) 16.590 2.235 ( 0.058 -3.330 0.156) 3.335 2.387 ( -5.813 -1.383 -0.101) 5.976 2.438 ( 2.341 -0.050 1.767) 2.933 2.445 ( 0.599 -1.342 -0.014) 1.470 2.471 ( -15.508 1.894 -1.069) 15.660 2.580 ( -6.847 1.819 0.013) 7.085 2.602 ( -10.052 0.583 0.244) 10.072 2.654 ( -9.565 1.839 0.208) 9.742 4.081 ( 13.316 -0.196 -0.023) 13.318 4.093 ( 13.430 -0.069 0.047) 13.430 4.267 ( -0.198 -1.084 -0.018) 1.102 4.278 ( -0.003 -0.617 -0.010) 0.617 4.413 ( 1.521 -0.710 -0.192) 1.689 4.475 ( 1.194 0.778 0.138) 1.432 4.785 ( 3.162 -1.309 0.069) 3.423 4.818 ( 2.585 -0.416 -0.071) 2.619 6.002 ( -3.120 0.464 -0.135) 3.157 6.064 ( -1.961 1.747 0.063) 2.627 6.109 ( -2.171 -1.101 0.305) 2.453 6.136 ( -0.598 -0.558 -0.172) 0.836 7.214 ( 0.870 -0.596 1.037) 1.479 7.224 ( 1.120 -0.864 -1.126) 1.808 7.590 ( -1.823 0.540 -0.007) 1.901 7.597 ( -1.440 0.354 0.025) 1.484 12.045 ( -3.041 -1.051 0.148) 3.221 12.067 ( -1.385 -0.883 -0.486) 1.713 12.125 ( -0.176 -1.339 -0.151) 1.359 12.233 ( 0.047 4.082 -0.095) 4.083 12.319 ( 1.675 -0.762 0.523) 1.913 12.519 ( 0.491 -1.548 -0.339) 1.659 12.630 ( 0.350 0.244 0.008) 0.426 12.645 ( 1.043 0.639 0.120) 1.229 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 -0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -1.132 -5.303 -0.000) 5.423 0.852 ( -1.223 1.334 0.000) 1.810 1.053 ( -4.629 3.117 0.000) 5.581 1.063 ( 0.796 0.598 0.000) 0.995 1.107 ( -6.843 1.094 -0.000) 6.930 1.220 ( 0.314 3.382 0.000) 3.397 1.386 ( 0.804 -1.159 -0.000) 1.411 1.394 ( 6.831 -0.084 0.000) 6.831 1.466 ( 3.509 -1.852 0.000) 3.967 1.481 ( 3.849 0.497 0.000) 3.880 1.624 ( 5.280 0.123 0.000) 5.281 1.791 ( 3.214 1.773 0.000) 3.671 1.826 ( -3.233 -1.464 -0.000) 3.549 1.995 ( 0.445 0.097 0.000) 0.456 2.090 ( -1.951 -2.621 -0.000) 3.268 2.185 ( 1.549 -3.418 -0.000) 3.752 2.289 ( -1.793 2.206 0.000) 2.842 2.388 ( 2.634 0.886 0.000) 2.779 2.435 ( 0.212 0.539 0.000) 0.579 2.450 ( -1.507 -1.209 -0.000) 1.932 2.668 ( -4.700 0.368 -0.000) 4.714 2.687 ( -4.227 0.834 -0.000) 4.308 2.937 ( -24.042 0.001 -0.000) 24.042 2.979 ( -23.635 1.015 -0.000) 23.657 3.815 ( 17.164 -0.152 0.000) 17.165 3.828 ( 17.227 0.026 0.000) 17.227 4.266 ( -0.356 -0.375 -0.000) 0.517 4.277 ( -0.189 -0.159 -0.000) 0.247 4.391 ( 0.306 -0.586 -0.000) 0.661 4.461 ( 1.061 0.616 0.000) 1.227 4.731 ( 1.957 -1.021 0.000) 2.208 4.780 ( 1.557 -0.040 0.000) 1.557 6.054 ( -2.421 0.690 -0.000) 2.517 6.088 ( -0.188 -0.323 -0.000) 0.374 6.129 ( 0.627 -0.842 -0.000) 1.050 6.150 ( -2.352 0.960 -0.000) 2.541 7.189 ( 1.103 -0.529 0.000) 1.223 7.215 ( -0.249 -0.276 -0.000) 0.372 7.616 ( -0.582 0.149 -0.000) 0.601 7.618 ( -0.937 0.387 -0.000) 1.014 12.070 ( -1.314 -1.595 -0.000) 2.066 12.073 ( -0.440 -1.139 -0.000) 1.221 12.137 ( -1.506 -0.170 -0.000) 1.516 12.263 ( 0.270 4.836 0.000) 4.843 12.287 ( 1.553 -1.007 -0.000) 1.851 12.503 ( -0.334 -1.960 -0.000) 1.988 12.627 ( 0.234 0.171 0.000) 0.290 12.628 ( 1.204 0.204 0.000) 1.221 ======================= Grid point 150 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 1.639 1.154 0.996) 2.238 0.704 ( 7.386 -2.900 2.823) 8.422 0.837 ( 6.198 -0.971 4.560) 7.756 0.974 ( 5.568 0.428 -0.801) 5.642 0.999 ( 7.158 -1.616 -3.641) 8.192 1.088 ( -1.737 -1.037 -3.207) 3.792 1.351 ( 3.044 0.401 4.782) 5.683 1.404 ( -0.478 0.091 0.796) 0.933 1.507 ( -5.593 0.310 2.740) 6.236 1.665 ( -7.381 0.907 -0.846) 7.484 1.795 ( -4.255 1.175 -2.856) 5.257 1.814 ( -4.890 -0.171 -0.913) 4.978 1.928 ( 7.280 -0.519 -0.940) 7.359 1.984 ( 1.265 -1.003 -0.908) 1.852 2.049 ( 4.061 0.865 -0.419) 4.173 2.121 ( 6.799 -1.307 -0.990) 6.994 2.301 ( 2.772 1.454 -0.402) 3.156 2.338 ( 1.916 -0.401 2.007) 2.803 2.405 ( 1.888 -1.641 -0.854) 2.643 2.426 ( 6.113 -0.122 0.062) 6.115 2.493 ( 5.684 -0.241 2.277) 6.128 2.557 ( 8.118 0.408 0.201) 8.131 2.589 ( 8.487 -0.807 0.417) 8.535 2.604 ( 14.795 0.444 0.434) 14.808 4.088 ( -13.334 0.198 -0.013) 13.336 4.090 ( -13.414 -0.109 0.070) 13.415 4.292 ( -0.371 0.270 0.038) 0.460 4.293 ( -0.553 0.316 0.037) 0.638 4.434 ( -0.367 0.291 0.192) 0.507 4.453 ( -2.062 -0.300 -0.185) 2.092 4.797 ( -3.372 0.168 0.787) 3.466 4.844 ( -3.511 0.332 -0.894) 3.638 5.996 ( 2.647 0.236 0.083) 2.658 6.008 ( 2.203 -1.217 0.290) 2.533 6.111 ( 1.184 0.164 1.192) 1.688 6.172 ( 2.173 0.464 -0.980) 2.429 7.205 ( -1.125 0.092 1.070) 1.555 7.275 ( -2.008 0.479 -1.532) 2.571 7.582 ( 1.948 -0.026 -0.102) 1.950 7.585 ( 1.719 -0.260 -0.078) 1.740 12.049 ( 1.484 0.069 0.885) 1.730 12.120 ( 1.229 1.039 -0.498) 1.684 12.133 ( 0.384 -0.738 -0.112) 0.840 12.166 ( 0.027 -1.046 -2.468) 2.680 12.413 ( -1.043 5.354 1.013) 5.548 12.500 ( -0.946 -3.767 -0.004) 3.884 12.616 ( -0.862 -0.208 -0.015) 0.887 12.622 ( -0.179 -0.270 -0.124) 0.347 ======================= Grid point 151 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 8.845 0.000 4.435) 9.895 0.600 ( 4.336 0.000 10.615) 11.466 0.738 ( 7.521 0.000 7.964) 10.954 0.818 ( 8.651 0.000 -5.742) 10.383 0.975 ( -3.821 -0.000 -3.832) 5.411 1.075 ( 0.902 0.000 -6.711) 6.772 1.260 ( 12.746 0.000 4.831) 13.631 1.390 ( 3.034 0.000 -2.238) 3.770 1.558 ( 13.565 0.000 0.339) 13.569 1.582 ( 25.650 0.000 -1.088) 25.673 1.646 ( 3.016 0.000 4.242) 5.205 1.797 ( -4.414 -0.000 -1.732) 4.742 1.926 ( -1.755 -0.000 -1.620) 2.388 1.959 ( -5.937 -0.000 0.623) 5.970 2.005 ( 0.594 0.000 -5.374) 5.407 2.026 ( -0.713 0.000 -4.389) 4.447 2.231 ( 7.711 0.000 2.028) 7.973 2.328 ( 2.407 0.000 -2.025) 3.145 2.337 ( -1.468 -0.000 0.469) 1.541 2.356 ( 2.038 0.000 0.523) 2.104 2.453 ( 0.269 0.000 0.525) 0.590 2.475 ( 4.437 0.000 -0.404) 4.455 2.535 ( -2.123 -0.000 4.277) 4.775 2.542 ( -1.006 -0.000 3.158) 3.314 4.273 ( -8.068 -0.000 0.048) 8.069 4.278 ( -8.402 -0.000 -0.226) 8.405 4.301 ( -0.757 -0.000 0.209) 0.785 4.307 ( -1.045 -0.000 -0.009) 1.045 4.445 ( -0.537 -0.000 1.174) 1.292 4.488 ( -2.121 -0.000 -0.932) 2.316 4.857 ( -2.992 -0.000 0.975) 3.147 4.901 ( -3.339 -0.000 -1.184) 3.543 5.958 ( 2.012 0.000 0.861) 2.188 5.972 ( 1.356 0.000 -0.063) 1.357 6.092 ( 1.646 0.000 1.145) 2.005 6.123 ( 3.182 0.000 -0.517) 3.223 7.229 ( -0.910 -0.000 1.180) 1.491 7.297 ( -0.988 -0.000 -2.554) 2.738 7.546 ( 2.165 0.000 0.005) 2.165 7.550 ( 2.082 0.000 -0.165) 2.089 12.011 ( 3.347 0.000 -0.259) 3.357 12.077 ( 4.290 0.000 -4.169) 5.982 12.110 ( 0.765 0.000 2.070) 2.207 12.172 ( -1.281 -0.000 -1.478) 1.956 12.473 ( -1.764 -0.000 0.397) 1.808 12.485 ( -0.531 -0.000 -0.074) 0.537 12.625 ( -0.263 -0.000 0.068) 0.271 12.631 ( -0.999 -0.000 -0.303) 1.044 ======================= Grid point 153 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.000 7.739 7.802) 10.989 0.463 ( -0.000 10.226 7.576) 12.726 0.602 ( -0.000 2.585 -1.162) 2.834 0.652 ( -0.000 6.371 -7.651) 9.957 0.730 ( -0.000 2.704 12.618) 12.904 0.854 ( -0.000 8.434 14.953) 17.168 0.961 ( -0.000 1.912 -12.865) 13.007 1.091 ( -0.000 2.003 -10.986) 11.167 1.302 ( -0.000 0.771 3.414) 3.500 1.357 ( -0.000 1.698 -2.879) 3.343 1.751 ( 0.000 -0.812 3.885) 3.969 1.840 ( 0.000 -1.308 -5.753) 5.900 1.953 ( 0.000 -3.296 0.715) 3.373 1.984 ( 0.000 -2.916 -1.895) 3.478 2.003 ( 0.000 -2.999 -0.375) 3.022 2.013 ( -0.000 0.198 -1.483) 1.496 2.157 ( -0.000 3.386 4.888) 5.946 2.247 ( -0.000 3.245 -5.427) 6.324 2.318 ( -0.000 0.050 1.985) 1.986 2.347 ( 0.000 -0.656 -1.294) 1.451 2.469 ( -0.000 0.112 1.074) 1.080 2.473 ( 0.000 -1.640 0.493) 1.712 2.646 ( -0.000 0.136 4.861) 4.863 2.720 ( 0.000 -0.562 -3.997) 4.036 4.307 ( 0.000 -1.264 0.456) 1.344 4.315 ( 0.000 -1.375 -0.408) 1.434 4.405 ( -0.000 0.427 0.179) 0.463 4.410 ( -0.000 0.339 -0.311) 0.460 4.486 ( -0.000 0.596 1.690) 1.792 4.516 ( -0.000 0.287 -1.682) 1.707 4.920 ( 0.000 -1.155 1.418) 1.829 4.945 ( 0.000 -1.343 -1.431) 1.962 5.945 ( 0.000 -2.133 1.067) 2.385 5.957 ( 0.000 -1.442 -0.458) 1.513 6.047 ( -0.000 0.938 0.007) 0.938 6.050 ( -0.000 1.537 -0.354) 1.578 7.244 ( -0.000 0.648 0.169) 0.669 7.246 ( -0.000 0.666 -0.082) 0.671 7.502 ( 0.000 -0.026 0.118) 0.121 7.503 ( 0.000 -0.041 -0.055) 0.069 11.869 ( -0.000 1.360 1.927) 2.359 11.912 ( -0.000 1.976 -3.178) 3.743 12.140 ( -0.000 1.391 2.893) 3.210 12.189 ( -0.000 1.496 -2.662) 3.054 12.499 ( 0.000 -1.345 -0.008) 1.345 12.500 ( 0.000 -0.846 -0.070) 0.849 12.634 ( -0.000 -0.026 0.581) 0.581 12.646 ( 0.000 -0.067 -0.697) 0.700 ======================= Grid point 154 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -2.830 5.234 6.891) 9.104 0.647 ( -5.455 6.121 -4.721) 9.461 0.771 ( -7.428 3.787 3.806) 9.165 0.793 ( -7.883 4.976 4.039) 10.159 0.911 ( -11.101 2.173 1.959) 11.480 0.972 ( -5.405 2.636 -9.172) 10.968 1.015 ( -8.819 6.295 2.219) 11.060 1.168 ( -16.394 7.503 -1.602) 18.100 1.326 ( -2.170 -0.439 0.680) 2.316 1.427 ( -7.116 2.763 -0.764) 7.672 1.741 ( 2.428 -0.723 4.848) 5.470 1.786 ( 2.406 -1.204 -4.701) 5.416 1.876 ( 2.643 -4.036 -1.821) 5.156 1.969 ( 2.771 -1.443 0.905) 3.252 1.995 ( -2.623 -3.990 -1.541) 5.017 2.013 ( 0.480 2.042 -0.461) 2.148 2.197 ( 0.404 1.643 2.544) 3.055 2.274 ( -2.645 2.064 -1.943) 3.877 2.306 ( 0.569 -1.079 -0.512) 1.323 2.358 ( -2.171 0.601 0.255) 2.267 2.467 ( -0.970 1.707 0.408) 2.005 2.496 ( -1.632 -0.862 0.586) 1.937 2.614 ( 4.821 -1.289 2.127) 5.424 2.635 ( 6.134 -0.206 -1.330) 6.280 4.292 ( 0.427 -1.753 0.092) 1.806 4.299 ( 0.314 -1.422 -0.074) 1.458 4.373 ( 3.833 0.068 -0.022) 3.834 4.389 ( 3.560 0.391 -0.036) 3.581 4.484 ( 1.440 0.248 1.442) 2.053 4.501 ( 1.007 0.425 -1.375) 1.757 4.901 ( 1.788 -1.276 1.120) 2.466 4.913 ( 1.709 -1.337 -1.191) 2.475 5.924 ( -0.527 -1.212 0.222) 1.340 5.975 ( -1.812 -0.367 0.014) 1.849 6.051 ( -1.216 0.175 -0.061) 1.230 6.088 ( -1.934 0.687 0.055) 2.053 7.235 ( 0.235 -0.330 -0.002) 0.405 7.272 ( -0.415 0.333 -0.221) 0.576 7.517 ( -1.517 0.186 0.072) 1.530 7.520 ( -1.952 0.206 -0.050) 1.963 11.914 ( -3.468 0.312 0.010) 3.482 11.968 ( -4.380 1.447 -1.006) 4.721 12.158 ( 0.507 0.740 2.051) 2.238 12.187 ( 0.108 1.967 -2.048) 2.841 12.422 ( 3.575 -2.284 0.239) 4.249 12.540 ( -1.352 -0.122 -0.188) 1.371 12.638 ( -0.000 0.163 0.391) 0.423 12.642 ( -0.082 0.285 -0.417) 0.512 ======================= Grid point 155 (67/171) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 2.113 -0.901 0.000) 2.297 0.786 ( -5.126 4.563 0.000) 6.862 0.866 ( -1.885 3.541 0.000) 4.012 0.909 ( -2.277 5.546 0.000) 5.995 1.010 ( -2.258 3.661 0.000) 4.302 1.059 ( -3.747 5.803 0.000) 6.907 1.292 ( -10.644 -0.193 -0.000) 10.646 1.356 ( -3.261 -0.164 -0.000) 3.265 1.603 ( -3.965 1.544 -0.000) 4.255 1.652 ( -18.536 1.572 -0.000) 18.603 1.724 ( -6.542 1.249 -0.000) 6.661 1.753 ( -8.049 0.610 -0.000) 8.072 1.816 ( 0.858 -1.953 -0.000) 2.133 1.883 ( 5.957 -1.244 0.000) 6.085 2.005 ( -0.649 -1.846 -0.000) 1.957 2.007 ( 0.057 1.119 0.000) 1.120 2.201 ( -3.423 -3.723 -0.000) 5.057 2.312 ( -0.676 2.969 0.000) 3.045 2.329 ( -2.426 -0.074 -0.000) 2.427 2.442 ( -5.800 2.609 -0.000) 6.360 2.506 ( 3.395 -3.105 -0.000) 4.600 2.516 ( -0.772 -2.970 -0.000) 3.068 2.532 ( -3.213 2.397 0.000) 4.009 2.540 ( 4.089 2.870 0.000) 4.995 4.263 ( 5.941 -0.623 0.000) 5.974 4.276 ( 4.971 -0.509 0.000) 4.997 4.280 ( 2.607 -1.144 0.000) 2.847 4.293 ( 4.054 -0.561 0.000) 4.092 4.450 ( 2.214 -0.551 0.000) 2.282 4.488 ( 0.979 0.802 0.000) 1.265 4.850 ( 3.018 -1.435 0.000) 3.342 4.867 ( 2.482 -0.759 0.000) 2.596 5.949 ( -2.667 -0.221 -0.000) 2.676 6.014 ( -2.286 1.237 -0.000) 2.599 6.080 ( -2.213 -0.958 -0.000) 2.411 6.120 ( -1.403 0.036 -0.000) 1.404 7.228 ( 0.179 -0.850 -0.000) 0.868 7.257 ( 1.668 -0.574 0.000) 1.764 7.552 ( -2.108 0.469 -0.000) 2.160 7.562 ( -2.286 0.455 -0.000) 2.331 11.985 ( -4.498 -0.626 -0.000) 4.541 12.034 ( -2.843 -0.011 -0.000) 2.843 12.144 ( 0.961 -1.065 -0.000) 1.435 12.205 ( -0.140 3.173 0.000) 3.176 12.359 ( 2.262 -1.262 0.000) 2.590 12.539 ( 0.608 -0.969 -0.000) 1.144 12.635 ( 0.353 0.194 0.000) 0.403 12.650 ( 0.123 0.900 0.000) 0.909 ======================= Grid point 161 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -0.109 -0.580 3.960) 4.003 0.823 ( 5.394 1.840 -3.365) 6.618 0.948 ( 4.216 -2.659 0.751) 5.040 1.033 ( -2.188 -2.281 -1.687) 3.583 1.103 ( 8.527 0.369 0.978) 8.590 1.152 ( 7.889 -0.646 -1.268) 8.016 1.363 ( -4.348 -0.959 2.477) 5.095 1.382 ( -3.223 0.490 1.278) 3.501 1.459 ( -0.336 1.340 3.907) 4.144 1.529 ( -6.975 0.526 0.012) 6.995 1.668 ( -5.976 1.731 -0.381) 6.233 1.741 ( -2.455 -0.643 -1.303) 2.853 1.919 ( -0.695 1.742 -3.225) 3.731 1.995 ( -0.481 -2.170 -3.168) 3.870 2.125 ( 1.853 0.682 2.447) 3.144 2.158 ( -0.782 -1.289 3.805) 4.093 2.332 ( 1.988 1.459 -3.159) 4.007 2.350 ( -0.356 -0.427 0.275) 0.620 2.407 ( -1.145 -0.403 1.887) 2.243 2.464 ( 0.007 -0.177 0.204) 0.270 2.630 ( 6.166 -0.864 1.362) 6.373 2.675 ( 4.802 -0.589 -0.791) 4.902 2.931 ( 24.644 -0.311 0.821) 24.659 2.969 ( 24.505 0.308 -0.913) 24.524 3.821 ( -17.268 0.171 0.024) 17.268 3.827 ( -17.255 -0.017 -0.006) 17.255 4.282 ( -0.359 0.485 0.054) 0.606 4.285 ( -0.241 0.257 -0.004) 0.353 4.415 ( -0.983 0.567 -0.115) 1.141 4.439 ( -0.403 -0.543 0.021) 0.676 4.747 ( -2.536 0.214 0.819) 2.674 4.786 ( -2.418 0.176 -0.805) 2.555 6.037 ( 2.130 -0.300 -0.124) 2.155 6.058 ( 2.158 -1.462 0.179) 2.613 6.126 ( 0.176 0.486 1.425) 1.516 6.184 ( 0.502 0.930 -1.444) 1.789 7.191 ( -0.825 0.141 0.968) 1.280 7.235 ( -1.431 0.334 -1.107) 1.840 7.609 ( 1.099 -0.141 -0.050) 1.109 7.611 ( 1.125 -0.170 -0.101) 1.142 12.072 ( 0.568 -0.059 1.310) 1.429 12.115 ( -0.830 -0.297 0.739) 1.151 12.137 ( 0.267 0.323 -1.204) 1.275 12.180 ( 1.107 -1.530 -2.427) 3.075 12.369 ( -0.337 5.071 1.470) 5.290 12.506 ( -0.868 -2.424 0.074) 2.576 12.609 ( -0.252 -0.337 0.245) 0.487 12.621 ( -0.075 -0.307 -0.219) 0.385 ======================= Grid point 162 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 1.594 2.710 1.277) 3.393 0.723 ( 3.745 -3.469 1.566) 5.339 0.877 ( 5.209 -0.899 4.616) 7.018 0.954 ( 8.944 0.333 -2.776) 9.371 0.988 ( 5.018 -1.598 0.296) 5.274 1.058 ( 0.039 -1.423 -3.707) 3.971 1.385 ( 2.578 0.134 3.073) 4.013 1.410 ( 0.402 0.121 0.504) 0.656 1.535 ( -4.950 0.492 3.734) 6.220 1.647 ( -5.980 0.663 -3.281) 6.853 1.781 ( -4.499 0.809 -0.233) 4.577 1.810 ( -5.037 -0.107 -0.131) 5.040 1.914 ( 2.366 1.903 -1.997) 3.634 1.972 ( -0.297 -2.462 -1.799) 3.064 2.053 ( 8.741 0.167 1.407) 8.855 2.109 ( 10.793 -0.687 -1.748) 10.956 2.300 ( 0.286 2.055 0.124) 2.079 2.353 ( 0.527 -1.536 1.159) 1.995 2.401 ( 4.437 -1.687 0.182) 4.750 2.424 ( 7.606 -0.083 -0.558) 7.627 2.512 ( 5.326 0.106 2.155) 5.746 2.554 ( 6.479 0.595 -0.775) 6.552 2.595 ( 9.285 -0.720 0.874) 9.354 2.607 ( 12.791 0.225 0.223) 12.794 4.088 ( -13.330 0.235 -0.003) 13.332 4.091 ( -13.400 -0.151 0.049) 13.401 4.292 ( -0.411 0.325 0.044) 0.526 4.294 ( -0.524 0.288 0.011) 0.598 4.436 ( -0.866 0.593 0.180) 1.065 4.452 ( -1.654 -0.576 -0.168) 1.760 4.805 ( -3.364 0.240 1.007) 3.519 4.835 ( -3.447 0.249 -1.094) 3.625 5.997 ( 2.480 0.421 0.057) 2.516 6.010 ( 2.221 -1.345 0.205) 2.604 6.122 ( 1.271 0.242 1.503) 1.983 6.162 ( 1.899 0.383 -1.299) 2.333 7.216 ( -1.171 0.152 1.434) 1.858 7.260 ( -1.713 0.400 -1.806) 2.521 7.581 ( 1.917 0.015 -0.070) 1.918 7.585 ( 1.740 -0.340 -0.073) 1.774 12.059 ( 2.013 0.276 1.389) 2.461 12.111 ( 2.025 1.201 -1.684) 2.895 12.133 ( 0.434 -0.735 0.079) 0.857 12.149 ( -0.865 -1.397 -1.453) 2.193 12.421 ( -0.757 5.304 0.857) 5.426 12.499 ( -0.871 -3.665 -0.134) 3.769 12.616 ( -0.735 -0.284 0.087) 0.792 12.621 ( -0.279 -0.341 -0.181) 0.476 ======================= Grid point 163 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 7.101 0.000 5.167) 8.781 0.673 ( 1.232 -0.000 4.632) 4.793 0.784 ( 8.706 0.000 -0.942) 8.757 0.799 ( 4.787 0.000 5.270) 7.119 0.944 ( -0.185 0.000 -2.488) 2.495 1.014 ( 2.229 0.000 -7.482) 7.807 1.300 ( 11.221 0.000 4.519) 12.097 1.367 ( 5.749 0.000 -3.145) 6.553 1.562 ( 15.393 0.000 0.485) 15.401 1.574 ( 22.010 0.000 -0.935) 22.029 1.686 ( 2.718 0.000 5.012) 5.701 1.772 ( -1.434 -0.000 -4.153) 4.393 1.918 ( -1.016 -0.000 0.077) 1.018 1.954 ( -1.796 -0.000 -2.893) 3.405 1.975 ( -3.168 -0.000 -0.325) 3.185 1.998 ( -2.256 -0.000 -2.352) 3.259 2.251 ( 6.876 0.000 2.689) 7.383 2.302 ( 4.873 0.000 -3.173) 5.815 2.347 ( -1.983 -0.000 1.146) 2.291 2.358 ( 0.742 0.000 -0.054) 0.744 2.458 ( 1.291 0.000 0.675) 1.457 2.471 ( 3.573 0.000 -0.669) 3.635 2.563 ( -2.624 -0.000 2.153) 3.394 2.564 ( -1.834 -0.000 1.798) 2.568 4.273 ( -8.027 -0.000 0.124) 8.028 4.277 ( -8.202 -0.000 -0.224) 8.205 4.303 ( -0.891 -0.000 0.225) 0.919 4.306 ( -1.051 -0.000 -0.121) 1.058 4.456 ( -0.947 -0.000 1.333) 1.635 4.479 ( -1.788 -0.000 -1.190) 2.148 4.867 ( -3.071 -0.000 1.244) 3.313 4.890 ( -3.263 -0.000 -1.362) 3.536 5.964 ( 1.729 0.000 0.613) 1.834 5.971 ( 1.424 0.000 -0.179) 1.435 6.101 ( 1.931 0.000 1.145) 2.245 6.118 ( 2.772 0.000 -0.750) 2.872 7.241 ( -0.725 -0.000 1.610) 1.766 7.275 ( -0.649 0.000 -2.406) 2.492 7.546 ( 2.130 0.000 0.093) 2.132 7.549 ( 2.080 0.000 -0.176) 2.087 12.012 ( 4.124 0.000 0.691) 4.181 12.045 ( 4.858 0.000 -3.172) 5.802 12.128 ( 0.076 -0.000 1.982) 1.984 12.159 ( -1.000 -0.000 -1.630) 1.913 12.476 ( -1.393 -0.000 0.467) 1.469 12.484 ( -0.733 -0.000 -0.322) 0.801 12.625 ( -0.428 -0.000 0.128) 0.447 12.629 ( -0.825 -0.000 -0.265) 0.866 ======================= Grid point 165 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 9.051 -1.283) 9.141 0.496 ( -0.000 9.051 1.283) 9.141 0.598 ( -0.000 4.087 -3.237) 5.214 0.598 ( -0.000 4.087 3.237) 5.214 0.846 ( -0.000 2.435 -13.778) 13.992 0.846 ( -0.000 2.435 13.778) 13.992 0.982 ( -0.000 4.843 -14.221) 15.023 0.982 ( -0.000 4.843 14.221) 15.023 1.331 ( -0.000 1.110 -3.128) 3.319 1.331 ( -0.000 1.110 3.128) 3.319 1.791 ( 0.000 -0.610 -5.371) 5.406 1.791 ( -0.000 -0.610 5.371) 5.406 1.966 ( 0.000 -4.188 -1.729) 4.531 1.966 ( 0.000 -4.188 1.729) 4.531 2.005 ( 0.000 -0.723 -0.581) 0.927 2.005 ( 0.000 -0.723 0.581) 0.927 2.201 ( -0.000 3.416 -5.324) 6.326 2.201 ( -0.000 3.416 5.324) 6.326 2.334 ( 0.000 -0.259 -1.722) 1.742 2.334 ( 0.000 -0.259 1.722) 1.742 2.474 ( 0.000 -0.559 -0.041) 0.560 2.474 ( 0.000 -0.559 0.041) 0.560 2.685 ( 0.000 -0.484 -4.326) 4.353 2.685 ( -0.000 -0.484 4.326) 4.353 4.311 ( 0.000 -1.301 -0.467) 1.382 4.311 ( 0.000 -1.301 0.467) 1.382 4.407 ( -0.000 0.397 -0.200) 0.445 4.407 ( -0.000 0.397 0.200) 0.445 4.501 ( -0.000 0.435 -1.762) 1.814 4.501 ( -0.000 0.435 1.762) 1.814 4.933 ( 0.000 -1.268 -1.508) 1.970 4.933 ( 0.000 -1.268 1.508) 1.970 5.952 ( 0.000 -1.752 -0.536) 1.832 5.952 ( 0.000 -1.752 0.536) 1.832 6.048 ( 0.000 1.195 -0.025) 1.196 6.048 ( 0.000 1.195 0.025) 1.196 7.245 ( -0.000 0.665 -0.044) 0.667 7.245 ( -0.000 0.665 0.044) 0.667 7.503 ( 0.000 -0.039 -0.091) 0.099 7.503 ( 0.000 -0.039 0.091) 0.099 11.888 ( -0.000 1.617 -2.466) 2.948 11.888 ( -0.000 1.617 2.466) 2.948 12.165 ( -0.000 1.362 -2.905) 3.208 12.165 ( -0.000 1.362 2.905) 3.208 12.499 ( 0.000 -1.068 -0.002) 1.068 12.499 ( 0.000 -1.068 0.002) 1.068 12.640 ( 0.000 -0.040 -0.670) 0.671 12.640 ( -0.000 -0.040 0.670) 0.671 ======================= Grid point 172 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 1.773 0.409 7.070) 7.300 0.842 ( 1.539 3.559 -2.566) 4.650 0.996 ( -1.013 -4.333 -2.460) 5.085 1.053 ( 3.320 -2.193 -1.387) 4.214 1.217 ( -0.491 0.947 1.441) 1.793 1.239 ( 1.163 1.004 0.783) 1.725 1.300 ( -0.904 0.923 -1.958) 2.346 1.323 ( 0.230 0.661 2.304) 2.408 1.417 ( -4.297 0.476 -3.127) 5.335 1.463 ( -0.050 -0.183 -0.126) 0.228 1.623 ( 1.043 0.842 4.365) 4.566 1.732 ( 1.251 0.128 -0.432) 1.330 1.902 ( 0.797 0.362 -0.216) 0.902 1.989 ( -0.207 -1.671 -2.943) 3.391 2.122 ( -0.970 0.479 1.640) 1.965 2.191 ( 0.692 -0.653 4.453) 4.554 2.320 ( 0.070 1.958 -3.523) 4.031 2.349 ( 0.124 0.154 -0.190) 0.274 2.406 ( -0.381 -0.754 1.263) 1.519 2.459 ( -0.837 -0.634 -0.556) 1.188 2.700 ( 0.754 0.074 0.497) 0.906 2.726 ( 0.956 -0.273 -0.162) 1.007 3.236 ( 0.396 0.207 0.579) 0.731 3.269 ( 0.190 -0.063 -0.652) 0.682 3.589 ( -0.214 0.040 0.001) 0.218 3.590 ( -0.154 0.024 -0.057) 0.166 4.274 ( -0.331 0.298 0.053) 0.448 4.280 ( -0.179 0.112 0.004) 0.211 4.404 ( 0.037 0.266 0.499) 0.566 4.439 ( 0.071 -0.236 -0.484) 0.544 4.722 ( -0.478 0.134 0.542) 0.735 4.759 ( -0.419 -0.371 -0.550) 0.785 6.070 ( 1.233 -0.467 0.036) 1.319 6.097 ( 1.112 -0.737 -0.313) 1.370 6.121 ( -1.030 0.409 1.601) 1.947 6.166 ( -0.929 0.729 -1.426) 1.852 7.183 ( -0.322 0.245 0.365) 0.545 7.216 ( -0.357 -0.334 -0.389) 0.625 7.620 ( 0.175 -0.027 0.036) 0.181 7.623 ( 0.233 -0.019 -0.124) 0.264 12.078 ( -0.376 -0.263 0.794) 0.917 12.109 ( -0.842 -0.246 0.160) 0.892 12.136 ( 0.198 -0.472 0.685) 0.855 12.197 ( 0.904 -1.598 -2.846) 3.386 12.334 ( -0.322 4.718 1.240) 4.889 12.511 ( -0.332 -1.721 0.318) 1.782 12.613 ( 0.359 -0.003 0.150) 0.389 12.623 ( 0.166 -0.158 -0.170) 0.285 ======================= Grid point 173 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.297 2.363 2.952) 5.017 0.796 ( 3.375 -0.421 -2.644) 4.308 0.958 ( 1.490 -2.103 1.514) 2.989 1.015 ( -0.689 -2.586 -2.146) 3.430 1.111 ( 9.223 0.652 0.724) 9.275 1.144 ( 7.250 -1.190 -0.497) 7.364 1.381 ( -4.513 -0.588 1.699) 4.858 1.391 ( -3.072 0.026 0.909) 3.203 1.484 ( -2.288 1.309 2.262) 3.473 1.522 ( -6.383 0.766 -1.708) 6.652 1.672 ( -4.169 2.494 1.049) 4.970 1.738 ( -2.987 -1.368 0.373) 3.306 1.893 ( 0.535 2.097 -2.664) 3.432 1.971 ( -0.668 -2.398 -2.339) 3.415 2.141 ( 0.931 1.320 1.313) 2.082 2.191 ( 0.935 -1.738 3.595) 4.101 2.302 ( 1.622 2.064 -3.242) 4.171 2.352 ( -0.935 -1.220 0.031) 1.538 2.426 ( -1.098 0.035 2.094) 2.365 2.462 ( -0.133 -0.309 -0.596) 0.684 2.643 ( 5.833 -0.690 1.488) 6.059 2.667 ( 5.153 -0.608 -1.139) 5.312 2.939 ( 24.500 -0.047 0.956) 24.518 2.960 ( 24.538 -0.013 -1.008) 24.559 3.821 ( -17.253 0.216 0.017) 17.255 3.826 ( -17.308 -0.068 -0.006) 17.308 4.282 ( -0.338 0.497 0.035) 0.602 4.285 ( -0.247 0.274 -0.004) 0.369 4.414 ( -0.673 0.787 -0.064) 1.038 4.439 ( -0.701 -0.746 0.007) 1.024 4.754 ( -2.547 0.465 0.791) 2.707 4.779 ( -2.391 -0.089 -0.783) 2.518 6.037 ( 2.188 -0.160 -0.047) 2.194 6.059 ( 2.036 -1.511 0.053) 2.536 6.140 ( 0.227 0.538 1.739) 1.834 6.171 ( 0.381 0.777 -1.722) 1.927 7.200 ( -1.044 0.304 1.081) 1.533 7.225 ( -1.149 0.166 -1.167) 1.646 7.608 ( 1.185 -0.150 -0.029) 1.195 7.610 ( 1.034 -0.199 -0.064) 1.055 12.084 ( 0.401 0.367 1.377) 1.480 12.118 ( 0.404 1.069 -0.576) 1.280 12.131 ( -0.319 -1.134 0.519) 1.287 12.159 ( 0.717 -1.788 -2.238) 2.953 12.379 ( -0.260 5.012 0.909) 5.101 12.506 ( -0.682 -2.264 -0.028) 2.365 12.612 ( -0.253 -0.377 0.331) 0.562 12.619 ( -0.096 -0.378 -0.299) 0.491 ======================= Grid point 174 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.556 4.123 0.654) 4.455 0.731 ( 1.283 -4.294 0.313) 4.492 0.912 ( 5.768 -0.633 3.290) 6.671 0.934 ( 8.280 -0.291 -2.124) 8.553 0.996 ( 3.882 -0.693 1.403) 4.186 1.028 ( 2.790 -2.212 -2.953) 4.626 1.404 ( 1.946 0.070 1.468) 2.439 1.412 ( 1.228 0.067 -0.247) 1.254 1.569 ( -4.604 0.866 4.130) 6.245 1.613 ( -5.145 0.156 -4.268) 6.687 1.787 ( -5.107 1.181 0.970) 5.331 1.808 ( -4.050 -0.726 -0.414) 4.136 1.900 ( -0.414 3.591 -0.891) 3.723 1.958 ( -1.275 -3.365 -1.080) 3.758 2.070 ( 11.714 -0.284 2.404) 11.961 2.091 ( 12.096 -0.460 -2.393) 12.338 2.302 ( -0.724 3.087 0.193) 3.177 2.358 ( -1.455 -3.511 0.142) 3.803 2.407 ( 7.180 -0.768 1.117) 7.307 2.417 ( 8.118 -0.230 -1.053) 8.189 2.530 ( 5.218 0.488 1.829) 5.550 2.545 ( 5.886 0.363 -1.397) 6.060 2.601 ( 10.394 -0.345 0.547) 10.414 2.608 ( 10.616 -0.092 -0.070) 10.617 4.088 ( -13.326 0.254 -0.000) 13.328 4.091 ( -13.393 -0.173 0.018) 13.394 4.293 ( -0.455 0.378 0.023) 0.592 4.294 ( -0.486 0.250 -0.004) 0.546 4.437 ( -1.278 0.864 0.078) 1.545 4.451 ( -1.298 -0.831 -0.072) 1.543 4.814 ( -3.401 0.420 1.013) 3.573 4.826 ( -3.367 0.061 -1.046) 3.527 5.997 ( 2.408 0.505 0.020) 2.460 6.011 ( 2.205 -1.394 0.071) 2.609 6.136 ( 1.467 0.396 1.530) 2.156 6.150 ( 1.589 0.227 -1.445) 2.160 7.229 ( -1.267 0.228 1.710) 2.141 7.244 ( -1.465 0.311 -1.852) 2.382 7.581 ( 1.891 0.041 -0.024) 1.891 7.584 ( 1.757 -0.389 -0.030) 1.800 12.073 ( 2.467 0.723 1.702) 3.082 12.094 ( 2.569 0.559 -2.010) 3.310 12.134 ( -0.248 -0.470 0.137) 0.549 12.141 ( -0.906 -1.461 -0.444) 1.776 12.426 ( -0.547 5.372 0.345) 5.410 12.498 ( -0.859 -3.691 -0.088) 3.790 12.617 ( -0.585 -0.346 0.145) 0.695 12.619 ( -0.408 -0.368 -0.176) 0.577 ======================= Grid point 175 (75/171) ======================= q-point: ( 0.50 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 4.577 -1.503 0.000) 4.818 0.667 ( 4.577 1.503 0.000) 4.818 0.806 ( 3.905 -0.083 0.000) 3.906 0.806 ( 3.905 0.083 0.000) 3.906 0.955 ( 3.020 -0.037 0.000) 3.020 0.955 ( 3.020 0.037 0.000) 3.020 1.337 ( 8.688 -0.573 0.000) 8.707 1.337 ( 8.688 0.573 0.000) 8.707 1.567 ( 18.405 -0.209 0.000) 18.406 1.567 ( 18.405 0.209 0.000) 18.406 1.730 ( 1.273 -0.070 0.000) 1.275 1.730 ( 1.273 0.070 0.000) 1.275 1.929 ( -0.776 -2.543 -0.000) 2.659 1.929 ( -0.776 2.543 0.000) 2.659 1.982 ( -3.627 -3.901 -0.000) 5.326 1.982 ( -3.627 3.901 0.000) 5.326 2.276 ( 5.933 -1.578 0.000) 6.140 2.276 ( 5.933 1.578 0.000) 6.140 2.355 ( -0.740 -3.934 -0.000) 4.003 2.355 ( -0.740 3.934 0.000) 4.003 2.464 ( 2.503 -0.148 0.000) 2.507 2.464 ( 2.503 0.148 0.000) 2.507 2.572 ( -2.430 -0.248 -0.000) 2.442 2.572 ( -2.430 0.248 -0.000) 2.442 4.275 ( -8.074 -0.263 -0.000) 8.078 4.275 ( -8.074 0.263 -0.000) 8.078 4.305 ( -0.993 -0.047 -0.000) 0.994 4.305 ( -0.993 0.047 -0.000) 0.994 4.468 ( -1.380 -0.178 0.000) 1.391 4.468 ( -1.380 0.178 0.000) 1.391 4.878 ( -3.169 -0.028 0.000) 3.170 4.878 ( -3.169 0.028 0.000) 3.170 5.969 ( 1.542 -1.183 0.000) 1.943 5.969 ( 1.542 1.183 0.000) 1.943 6.111 ( 2.331 -0.327 0.000) 2.354 6.111 ( 2.331 0.327 0.000) 2.354 7.256 ( -0.600 -0.167 0.000) 0.623 7.256 ( -0.600 0.167 0.000) 0.623 7.547 ( 2.096 -0.235 0.000) 2.109 7.547 ( 2.096 0.235 0.000) 2.109 12.023 ( 4.694 -0.496 0.000) 4.721 12.023 ( 4.694 0.496 0.000) 4.721 12.144 ( -0.522 -0.053 0.000) 0.524 12.144 ( -0.522 0.053 0.000) 0.524 12.480 ( -1.030 -5.002 -0.000) 5.107 12.480 ( -1.030 5.002 0.000) 5.107 12.627 ( -0.624 -0.012 -0.000) 0.624 12.627 ( -0.624 0.012 0.000) 0.624 ======================= Grid point 183 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 1.567 3.767 5.610) 6.936 0.827 ( -0.329 1.513 -1.291) 2.015 0.996 ( -2.477 -3.938 0.710) 4.706 1.079 ( -8.561 2.926 -1.302) 9.141 1.115 ( 3.693 1.397 -0.668) 4.004 1.213 ( -4.497 0.931 2.451) 5.206 1.279 ( -0.446 -0.248 -4.335) 4.365 1.341 ( -0.879 -1.450 -3.011) 3.456 1.413 ( 6.452 2.787 -0.172) 7.030 1.507 ( 4.322 -0.461 -0.443) 4.369 1.691 ( 4.535 0.135 4.418) 6.333 1.768 ( 3.350 0.255 -1.027) 3.514 1.938 ( 1.766 -1.159 2.874) 3.567 1.993 ( 1.013 -1.763 -3.256) 3.839 2.115 ( -0.325 1.166 2.507) 2.784 2.220 ( 0.516 0.179 2.917) 2.968 2.282 ( -1.454 1.497 -3.404) 3.993 2.349 ( -0.278 -0.574 -0.639) 0.902 2.413 ( -0.029 -0.676 1.034) 1.236 2.440 ( -1.343 -0.787 -1.255) 1.999 2.658 ( -4.871 1.607 -0.066) 5.130 2.706 ( -3.282 0.565 0.271) 3.341 2.944 ( -23.829 0.654 0.359) 23.841 2.964 ( -24.758 0.033 -0.527) 24.764 3.818 ( 17.211 -0.064 0.128) 17.212 3.823 ( 17.170 -0.096 -0.162) 17.171 4.268 ( -0.297 -0.216 0.029) 0.369 4.278 ( -0.176 -0.221 0.026) 0.284 4.416 ( 1.011 -0.037 1.099) 1.493 4.441 ( 0.518 0.112 -0.993) 1.125 4.735 ( 1.819 -0.115 0.129) 1.827 4.773 ( 1.670 -0.977 -0.173) 1.943 6.074 ( -1.699 0.819 1.045) 2.156 6.096 ( -0.686 0.780 -1.239) 1.617 6.099 ( -1.100 0.630 0.221) 1.287 6.150 ( -0.886 -1.835 -0.099) 2.040 7.182 ( 0.361 0.179 -0.139) 0.426 7.224 ( 0.677 -1.053 0.192) 1.267 7.615 ( -0.723 0.206 -0.029) 0.752 7.618 ( -0.818 0.170 -0.003) 0.836 12.074 ( -1.125 -0.221 0.716) 1.351 12.091 ( -0.865 -0.689 -0.749) 1.336 12.154 ( 0.161 -0.682 2.309) 2.414 12.211 ( 0.666 -2.079 -2.864) 3.601 12.298 ( -0.231 4.386 0.605) 4.434 12.525 ( 0.349 -1.411 0.460) 1.524 12.621 ( 0.825 0.463 -0.074) 0.949 12.627 ( 0.297 0.065 -0.099) 0.320 ======================= Grid point 184 (77/171) ======================= q-point: ( 0.30 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 4.549 5.716 3.432) 8.072 0.824 ( 0.975 -0.049 -1.380) 1.690 0.978 ( -1.174 -5.587 -1.336) 5.863 1.046 ( 2.199 -2.619 -0.348) 3.438 1.230 ( 1.916 1.384 1.267) 2.682 1.243 ( 0.199 1.437 0.118) 1.455 1.283 ( -0.614 1.499 -1.463) 2.183 1.343 ( -2.777 -0.738 1.829) 3.406 1.392 ( -5.234 1.252 -2.188) 5.810 1.460 ( 0.175 -0.164 -0.240) 0.339 1.656 ( 2.301 1.949 2.547) 3.947 1.727 ( 0.494 -0.874 -0.529) 1.135 1.902 ( 2.393 0.469 0.136) 2.442 1.967 ( -0.531 -1.807 -1.677) 2.522 2.132 ( -0.302 1.302 0.681) 1.500 2.228 ( -0.120 -1.938 3.694) 4.173 2.288 ( 0.731 3.216 -3.371) 4.716 2.347 ( -0.239 -0.243 -0.176) 0.384 2.417 ( -0.659 -0.555 0.950) 1.282 2.453 ( -1.079 -0.784 -0.523) 1.433 2.704 ( 0.393 0.300 0.243) 0.551 2.724 ( 1.316 -0.374 -0.116) 1.373 3.241 ( 0.321 0.536 0.319) 0.702 3.264 ( 0.258 -0.419 -0.347) 0.602 3.589 ( -0.105 0.047 0.003) 0.116 3.590 ( -0.289 -0.003 -0.025) 0.290 4.274 ( -0.325 0.324 0.020) 0.459 4.280 ( -0.169 0.107 0.001) 0.200 4.407 ( 0.444 0.540 0.237) 0.738 4.435 ( -0.280 -0.505 -0.231) 0.623 4.725 ( -0.511 0.436 0.262) 0.721 4.755 ( -0.412 -0.677 -0.265) 0.836 6.070 ( 1.380 -0.430 0.037) 1.446 6.095 ( 0.927 -0.626 -0.139) 1.128 6.135 ( -1.244 0.821 1.335) 2.001 6.154 ( -0.704 0.133 -1.272) 1.460 7.185 ( -0.540 0.452 0.165) 0.723 7.214 ( -0.115 -0.550 -0.174) 0.588 7.621 ( 0.158 0.006 0.031) 0.161 7.623 ( 0.255 -0.083 -0.064) 0.275 12.084 ( -0.417 -0.279 0.560) 0.752 12.106 ( -0.714 0.793 -0.545) 1.198 12.150 ( 0.457 -1.310 2.350) 2.729 12.173 ( 0.634 -1.723 -2.799) 3.348 12.341 ( -0.417 4.669 0.462) 4.710 12.513 ( -0.149 -1.597 0.103) 1.608 12.614 ( 0.240 0.033 0.107) 0.265 12.622 ( 0.222 -0.208 -0.110) 0.324 ======================= Grid point 185 (78/171) ======================= q-point: ( 0.40 0.70 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 5.318 4.575 0.000) 7.015 0.784 ( 1.933 -2.411 -0.000) 3.090 0.967 ( -0.248 -1.567 -0.000) 1.586 1.003 ( 0.641 -3.018 -0.000) 3.085 1.114 ( 9.622 0.844 0.000) 9.659 1.142 ( 6.739 -1.464 0.000) 6.896 1.389 ( -4.624 -0.157 -0.000) 4.626 1.395 ( -2.754 -0.419 -0.000) 2.786 1.500 ( -3.652 1.260 -0.000) 3.863 1.507 ( -5.840 0.913 -0.000) 5.911 1.678 ( -3.227 2.750 0.000) 4.240 1.741 ( -3.467 -1.687 -0.000) 3.856 1.880 ( 1.136 2.292 0.000) 2.558 1.960 ( -0.781 -2.470 -0.000) 2.591 2.147 ( 0.700 1.625 0.000) 1.769 2.210 ( 1.826 -2.675 -0.000) 3.239 2.285 ( 1.156 3.055 0.000) 3.266 2.352 ( -1.135 -1.607 -0.000) 1.968 2.437 ( -1.262 0.448 -0.000) 1.340 2.458 ( -0.012 -0.606 -0.000) 0.606 2.653 ( 5.383 -0.416 0.000) 5.399 2.657 ( 5.612 -0.826 0.000) 5.672 2.945 ( 24.313 0.378 0.000) 24.316 2.954 ( 24.679 -0.459 0.000) 24.683 3.821 ( -17.247 0.234 -0.000) 17.249 3.826 ( -17.329 -0.089 -0.000) 17.329 4.283 ( -0.329 0.502 0.000) 0.600 4.285 ( -0.251 0.281 0.000) 0.376 4.414 ( -0.559 0.869 0.000) 1.033 4.439 ( -0.811 -0.821 -0.000) 1.154 4.758 ( -2.574 0.745 -0.000) 2.680 4.775 ( -2.358 -0.375 -0.000) 2.388 6.036 ( 2.210 -0.112 0.000) 2.212 6.059 ( 1.987 -1.524 -0.000) 2.504 6.155 ( 0.519 0.656 0.000) 0.836 6.156 ( 0.065 0.620 0.000) 0.624 7.207 ( -1.369 0.586 -0.000) 1.489 7.218 ( -0.801 -0.118 -0.000) 0.809 7.608 ( 1.228 -0.152 0.000) 1.237 7.610 ( 0.991 -0.211 0.000) 1.013 12.092 ( 0.087 0.626 0.000) 0.632 12.112 ( 0.934 1.351 0.000) 1.643 12.142 ( 0.860 -0.444 0.000) 0.968 12.143 ( -0.642 -2.993 -0.000) 3.061 12.383 ( -0.232 5.006 0.000) 5.012 12.506 ( -0.612 -2.214 -0.000) 2.297 12.614 ( -0.283 -0.385 -0.000) 0.478 12.617 ( -0.074 -0.413 -0.000) 0.419 ======================= Grid point 194 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -3.510 3.501 4.783) 6.889 0.778 ( 0.165 5.336 -3.837) 6.574 0.876 ( -8.996 5.309 -0.856) 10.480 0.995 ( -1.415 -1.134 0.974) 2.058 1.120 ( -3.660 2.762 1.450) 4.809 1.176 ( 2.612 1.388 0.576) 3.014 1.228 ( -2.295 0.530 -3.711) 4.396 1.362 ( 0.978 -2.424 -0.500) 2.661 1.492 ( 4.782 1.522 -0.226) 5.024 1.599 ( 5.183 -2.527 -0.452) 5.783 1.802 ( 5.570 -0.742 3.138) 6.436 1.825 ( 3.263 -0.013 -1.417) 3.558 1.956 ( -2.810 -2.259 -0.456) 3.635 2.024 ( -0.652 1.325 0.105) 1.481 2.090 ( -2.943 4.025 3.246) 5.950 2.181 ( -10.877 -4.416 -1.402) 11.823 2.225 ( -0.170 2.247 0.374) 2.285 2.313 ( -3.490 -0.767 -1.421) 3.846 2.418 ( 0.168 -0.819 -0.114) 0.844 2.434 ( -3.362 -3.375 -0.019) 4.764 2.500 ( -10.789 3.386 0.246) 11.311 2.580 ( -11.540 1.689 0.124) 11.664 2.582 ( -11.717 1.498 -0.320) 11.817 2.634 ( -7.264 1.238 -0.289) 7.374 4.085 ( 13.388 -0.146 0.198) 13.390 4.087 ( 13.330 -0.123 -0.223) 13.332 4.268 ( -0.080 -0.925 0.021) 0.929 4.278 ( -0.138 -0.662 0.006) 0.676 4.435 ( 0.433 0.198 0.509) 0.697 4.457 ( 2.183 0.030 -0.454) 2.229 4.781 ( 3.047 -0.385 -0.046) 3.072 4.823 ( 2.929 -1.439 0.049) 3.263 6.020 ( -3.639 1.067 0.416) 3.815 6.048 ( -2.107 1.594 -0.459) 2.681 6.095 ( -0.496 -0.019 -0.068) 0.501 6.143 ( -1.762 -1.759 0.047) 2.490 7.193 ( 1.055 0.021 -0.135) 1.063 7.253 ( 1.270 -1.666 0.227) 2.107 7.592 ( -1.715 0.370 0.127) 1.759 7.593 ( -1.682 0.361 -0.146) 1.727 12.042 ( -2.566 -0.256 -0.008) 2.578 12.094 ( -0.209 -1.651 0.200) 1.677 12.152 ( -1.365 0.637 0.570) 1.611 12.239 ( 1.393 -2.923 -0.015) 3.238 12.272 ( 0.765 3.520 -0.610) 3.653 12.546 ( 0.816 -1.111 0.346) 1.422 12.629 ( 0.122 0.241 -0.068) 0.279 12.633 ( 1.029 0.664 -0.136) 1.232 ======================= Grid point 195 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 3.393 7.369 0.000) 8.112 0.820 ( -2.073 -0.904 -0.000) 2.262 1.001 ( -1.503 -5.420 -0.000) 5.625 1.071 ( -9.064 3.165 -0.000) 9.600 1.112 ( 3.446 1.578 0.000) 3.790 1.233 ( -6.121 -0.063 -0.000) 6.121 1.251 ( 0.020 1.572 0.000) 1.572 1.327 ( -0.043 -2.071 -0.000) 2.071 1.412 ( 6.503 2.931 0.000) 7.133 1.505 ( 4.123 -0.478 0.000) 4.151 1.714 ( 4.870 0.894 0.000) 4.952 1.760 ( 2.813 -0.620 0.000) 2.880 1.963 ( 4.112 -0.733 0.000) 4.177 1.966 ( -0.852 -2.140 -0.000) 2.303 2.127 ( 0.554 1.747 0.000) 1.832 2.242 ( -1.772 -2.846 -0.000) 3.353 2.257 ( 0.249 4.644 0.000) 4.651 2.346 ( -0.517 -0.875 -0.000) 1.016 2.421 ( 0.146 -1.162 -0.000) 1.171 2.432 ( -1.755 -0.429 -0.000) 1.806 2.657 ( -4.868 1.699 -0.000) 5.156 2.707 ( -3.202 0.574 -0.000) 3.253 2.946 ( -23.623 0.902 -0.000) 23.640 2.962 ( -25.062 -0.252 -0.000) 25.064 3.819 ( 17.231 -0.028 0.000) 17.231 3.823 ( 17.149 -0.136 0.000) 17.150 4.268 ( -0.291 -0.199 -0.000) 0.352 4.278 ( -0.176 -0.228 -0.000) 0.288 4.422 ( 1.550 0.231 0.000) 1.567 4.435 ( -0.005 -0.152 -0.000) 0.152 4.736 ( 1.799 0.015 0.000) 1.799 4.773 ( 1.687 -1.110 -0.000) 2.020 6.081 ( -1.496 0.441 -0.000) 1.560 6.088 ( -1.165 1.475 0.000) 1.880 6.100 ( -0.923 0.547 -0.000) 1.073 6.149 ( -0.790 -2.079 -0.000) 2.224 7.181 ( 0.318 0.226 0.000) 0.390 7.225 ( 0.740 -1.108 -0.000) 1.332 7.615 ( -0.732 0.205 -0.000) 0.761 7.618 ( -0.811 0.154 -0.000) 0.826 12.079 ( -1.666 0.442 -0.000) 1.724 12.086 ( -0.235 -1.204 -0.000) 1.227 12.169 ( 0.058 0.276 0.000) 0.282 12.193 ( 0.807 -3.214 -0.000) 3.313 12.301 ( -0.350 4.401 0.000) 4.414 12.527 ( 0.431 -1.358 -0.000) 1.425 12.621 ( 0.797 0.469 0.000) 0.925 12.627 ( 0.277 0.072 0.000) 0.287 ======================= Grid point 204 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -8.709 8.898 0.000) 12.450 0.686 ( -8.608 5.070 -0.000) 9.990 0.706 ( -4.065 9.308 0.000) 10.157 1.018 ( 2.963 -1.513 0.000) 3.327 1.019 ( -5.013 4.820 0.000) 6.955 1.158 ( -5.659 1.472 -0.000) 5.847 1.213 ( 2.385 1.981 0.000) 3.100 1.373 ( -2.964 -1.721 -0.000) 3.428 1.536 ( -4.008 -0.419 -0.000) 4.030 1.629 ( -13.600 2.212 -0.000) 13.778 1.689 ( -21.723 2.870 -0.000) 21.912 1.744 ( 0.300 -2.989 -0.000) 3.004 1.932 ( 5.651 -1.057 0.000) 5.749 1.947 ( 3.138 -0.296 0.000) 3.152 2.042 ( -1.038 -1.265 -0.000) 1.636 2.186 ( 3.316 -4.489 -0.000) 5.581 2.212 ( -0.613 -0.106 -0.000) 0.622 2.264 ( -7.671 0.830 -0.000) 7.716 2.284 ( -0.828 -0.688 -0.000) 1.077 2.406 ( -6.198 2.115 -0.000) 6.549 2.420 ( -1.950 -2.262 -0.000) 2.986 2.497 ( -1.433 2.148 0.000) 2.582 2.524 ( -3.186 1.366 -0.000) 3.466 2.532 ( 6.793 3.539 0.000) 7.660 4.272 ( 8.474 -0.055 0.000) 8.474 4.274 ( 4.781 -0.933 0.000) 4.871 4.283 ( -0.035 -1.083 -0.000) 1.084 4.283 ( 4.365 -0.799 0.000) 4.437 4.439 ( 0.401 0.684 0.000) 0.793 4.498 ( 2.457 -0.120 0.000) 2.460 4.836 ( 2.882 -0.498 0.000) 2.924 4.887 ( 2.975 -1.755 0.000) 3.455 5.950 ( -3.559 0.580 -0.000) 3.606 6.003 ( -1.829 0.940 -0.000) 2.057 6.080 ( -0.958 0.391 -0.000) 1.035 6.115 ( -2.464 -0.662 -0.000) 2.551 7.214 ( 1.405 0.041 0.000) 1.406 7.288 ( 0.837 -2.319 -0.000) 2.465 7.554 ( -2.325 0.445 -0.000) 2.368 7.557 ( -2.198 0.267 -0.000) 2.214 11.995 ( -3.681 -1.404 -0.000) 3.940 12.089 ( -1.768 0.709 -0.000) 1.905 12.125 ( -0.783 -1.086 -0.000) 1.339 12.260 ( 1.120 3.496 0.000) 3.671 12.302 ( 2.715 -3.527 -0.000) 4.451 12.567 ( 0.541 -0.673 -0.000) 0.863 12.627 ( -0.084 0.185 0.000) 0.203 12.645 ( 0.824 0.472 0.000) 0.950 ======================= Grid point 214 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 13.368 0.000) 13.368 0.429 ( 0.000 12.836 0.000) 12.836 0.492 ( 0.000 9.011 0.000) 9.011 0.735 ( 0.000 22.384 0.000) 22.384 0.849 ( 0.000 5.671 0.000) 5.671 0.976 ( 0.000 11.448 0.000) 11.448 1.132 ( -0.000 -4.758 -0.000) 4.758 1.257 ( 0.000 2.466 0.000) 2.466 1.259 ( -0.000 -1.471 -0.000) 1.471 1.464 ( -0.000 -0.378 -0.000) 0.378 1.648 ( -0.000 -1.977 -0.000) 1.977 1.754 ( -0.000 -6.822 -0.000) 6.822 2.007 ( 0.000 0.927 0.000) 0.927 2.051 ( -0.000 -0.425 -0.000) 0.425 2.084 ( 0.000 3.964 0.000) 3.964 2.092 ( -0.000 -3.393 -0.000) 3.393 2.198 ( 0.000 0.626 0.000) 0.626 2.259 ( -0.000 -1.799 -0.000) 1.799 2.311 ( -0.000 -2.712 0.000) 2.712 2.311 ( 0.000 0.507 0.000) 0.507 2.339 ( -0.000 -1.565 -0.000) 1.565 2.397 ( 0.000 1.600 0.000) 1.600 2.557 ( 0.000 1.062 0.000) 1.062 2.828 ( -0.000 -3.797 -0.000) 3.797 4.273 ( -0.000 -2.011 -0.000) 2.011 4.284 ( -0.000 -2.185 -0.000) 2.185 4.411 ( 0.000 0.564 0.000) 0.564 4.429 ( -0.000 -0.202 -0.000) 0.202 4.452 ( 0.000 1.115 0.000) 1.115 4.549 ( -0.000 -0.127 -0.000) 0.127 4.893 ( -0.000 -0.457 -0.000) 0.457 4.945 ( -0.000 -2.203 -0.000) 2.203 5.877 ( -0.000 -0.187 -0.000) 0.187 5.945 ( -0.000 -1.452 -0.000) 1.452 6.059 ( 0.000 0.901 0.000) 0.901 6.092 ( 0.000 0.173 0.000) 0.173 7.248 ( 0.000 0.465 0.000) 0.465 7.251 ( 0.000 0.841 0.000) 0.841 7.500 ( 0.000 0.082 0.000) 0.082 7.504 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 1.820 0.000) 1.820 12.042 ( 0.000 2.797 0.000) 2.797 12.117 ( -0.000 -2.230 -0.000) 2.230 12.284 ( 0.000 3.590 0.000) 3.590 12.455 ( -0.000 -3.897 -0.000) 3.897 12.494 ( -0.000 -0.213 -0.000) 0.213 12.623 ( -0.000 -0.039 -0.000) 0.039 12.657 ( -0.000 -0.393 -0.000) 0.393 ======================= Grid point 215 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -6.908 11.444 1.807) 13.489 0.617 ( -5.255 7.709 1.286) 9.418 0.684 ( -10.471 10.262 1.353) 14.723 0.967 ( -6.050 8.162 -0.449) 10.169 0.989 ( -6.887 7.567 -0.894) 10.271 1.099 ( -2.613 -0.638 -0.850) 2.821 1.196 ( -16.664 5.674 1.161) 17.642 1.266 ( -0.778 2.945 -1.520) 3.404 1.278 ( -4.763 0.523 0.491) 4.817 1.480 ( -3.413 -0.442 -0.024) 3.441 1.623 ( 1.002 -1.774 0.580) 2.118 1.717 ( -0.438 -7.046 0.848) 7.110 1.992 ( 3.403 -0.360 -2.553) 4.270 2.010 ( 2.061 0.053 -0.192) 2.070 2.029 ( 2.121 -2.012 0.369) 2.946 2.147 ( -2.573 -0.074 -4.069) 4.815 2.204 ( 0.928 -0.673 -4.304) 4.454 2.234 ( 0.091 -0.355 2.285) 2.314 2.281 ( -0.573 -1.972 5.810) 6.163 2.348 ( -2.514 1.926 -0.580) 3.220 2.367 ( -2.454 -1.047 2.151) 3.427 2.442 ( -3.736 1.597 -0.239) 4.070 2.548 ( 1.690 0.534 0.394) 1.816 2.698 ( 9.107 -0.627 -0.720) 9.157 4.265 ( -0.452 -2.003 -0.283) 2.072 4.268 ( -0.169 -2.079 0.344) 2.114 4.379 ( 4.172 0.212 -0.064) 4.178 4.390 ( 4.376 -0.207 0.025) 4.381 4.456 ( 0.595 1.241 0.289) 1.406 4.533 ( 1.603 -0.240 -0.182) 1.631 4.873 ( 1.780 -0.500 -0.019) 1.849 4.913 ( 1.702 -2.085 -0.155) 2.697 5.899 ( -2.501 0.072 0.129) 2.505 5.961 ( -2.685 -1.273 0.003) 2.971 6.071 ( -0.530 0.811 -0.161) 0.982 6.092 ( -0.313 0.531 0.078) 0.622 7.239 ( 1.277 0.331 -0.083) 1.322 7.272 ( -0.830 -1.046 0.033) 1.336 7.518 ( -1.935 0.304 0.010) 1.959 7.522 ( -1.909 0.130 0.024) 1.913 11.915 ( -4.015 0.349 0.058) 4.031 12.072 ( -1.005 1.721 -0.915) 2.193 12.104 ( -0.545 -1.277 0.304) 1.422 12.301 ( 0.988 3.518 -1.533) 3.963 12.354 ( 4.807 -2.024 1.429) 5.408 12.542 ( -2.395 -2.154 -0.231) 3.230 12.626 ( -0.219 0.075 0.166) 0.285 12.652 ( 0.082 -0.272 -0.057) 0.290 ======================= Grid point 216 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -3.641 6.859 -2.623) 8.197 0.785 ( -7.280 6.453 2.866) 10.142 0.846 ( -0.656 7.235 2.271) 7.612 0.969 ( 0.150 -1.344 -3.329) 3.593 1.105 ( -1.420 4.842 1.477) 5.258 1.199 ( -3.661 1.886 2.008) 4.581 1.235 ( 2.248 2.486 -1.776) 3.793 1.350 ( -0.943 -1.423 0.516) 1.784 1.542 ( -2.342 0.499 0.245) 2.407 1.640 ( -0.148 -1.601 2.036) 2.594 1.713 ( -21.078 1.327 -0.810) 21.135 1.731 ( -17.509 -0.034 1.357) 17.562 1.892 ( 4.981 -1.348 -3.339) 6.146 1.954 ( 3.762 -1.498 2.596) 4.810 2.030 ( -3.488 1.695 -3.280) 5.079 2.110 ( 2.651 -2.512 -3.191) 4.850 2.165 ( -1.926 -2.979 -2.912) 4.589 2.284 ( -2.774 1.687 -0.484) 3.283 2.309 ( -0.831 -2.054 6.747) 7.101 2.392 ( -2.259 -1.459 0.844) 2.818 2.454 ( -5.527 3.250 0.682) 6.448 2.519 ( 0.444 1.468 -1.649) 2.252 2.535 ( -4.141 0.323 -0.013) 4.154 2.569 ( 4.221 1.122 0.903) 4.460 4.253 ( 0.451 -1.308 -0.268) 1.409 4.265 ( -0.528 -1.315 0.124) 1.423 4.271 ( 8.218 -0.116 0.001) 8.219 4.277 ( 8.399 -0.266 0.179) 8.405 4.450 ( 1.072 0.736 -0.194) 1.315 4.496 ( 2.205 -0.154 0.126) 2.214 4.829 ( 2.847 -0.523 -0.027) 2.895 4.860 ( 2.658 -1.648 -0.084) 3.129 5.958 ( -3.910 0.552 -0.363) 3.966 6.010 ( -3.434 -0.230 0.417) 3.467 6.085 ( -0.654 0.404 -0.415) 0.873 6.109 ( -1.091 -0.228 0.384) 1.179 7.216 ( 1.476 0.116 0.040) 1.481 7.257 ( 0.906 -1.590 -0.244) 1.846 7.560 ( -2.319 0.425 -0.103) 2.360 7.563 ( -2.335 0.303 0.200) 2.363 11.982 ( -3.667 -0.209 -0.007) 3.673 12.073 ( -0.390 -1.827 -0.752) 2.014 12.130 ( -1.357 1.302 -0.609) 1.977 12.261 ( 2.586 -1.035 -0.274) 2.799 12.323 ( 1.541 3.448 1.147) 3.947 12.539 ( 0.024 -2.469 -0.641) 2.551 12.631 ( -0.134 0.192 0.235) 0.332 12.649 ( 0.290 0.049 0.150) 0.330 ======================= Grid point 217 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.173 2.173 -8.392) 8.670 0.870 ( 1.332 2.574 -0.028) 2.898 0.938 ( -2.951 1.661 1.467) 3.691 0.992 ( -4.961 2.751 1.785) 5.947 1.159 ( -1.325 3.402 -0.807) 3.739 1.196 ( 2.802 0.396 1.095) 3.034 1.272 ( -2.177 0.610 3.945) 4.547 1.336 ( 0.452 -2.530 2.448) 3.550 1.517 ( 3.426 1.245 -0.433) 3.671 1.590 ( 4.356 0.276 2.519) 5.039 1.760 ( 5.919 -0.313 -4.060) 7.184 1.845 ( 2.980 1.335 0.921) 3.393 1.918 ( -0.806 -2.376 -1.361) 2.855 2.018 ( 2.418 -2.401 -0.790) 3.498 2.079 ( -5.534 1.001 -4.049) 6.929 2.159 ( -8.764 -1.285 0.313) 8.863 2.245 ( -6.930 2.175 -1.937) 7.517 2.336 ( -1.455 -0.554 4.709) 4.960 2.368 ( -6.754 -3.420 -0.701) 7.603 2.415 ( -0.906 -0.748 1.459) 1.873 2.545 ( -9.038 3.168 -1.581) 9.707 2.599 ( -10.156 0.792 -0.326) 10.192 2.611 ( -8.968 1.762 0.720) 9.168 2.652 ( -7.847 0.431 1.025) 7.926 4.081 ( 13.345 -0.098 -0.179) 13.347 4.087 ( 13.335 -0.101 0.239) 13.337 4.256 ( -0.659 -0.583 -0.171) 0.897 4.269 ( -0.572 -0.614 0.063) 0.841 4.428 ( 1.321 -0.066 -1.359) 1.896 4.467 ( 1.522 0.293 1.167) 1.940 4.773 ( 2.906 -0.512 -0.339) 2.970 4.805 ( 2.575 -1.040 0.366) 2.801 6.027 ( -3.659 0.731 -1.077) 3.884 6.074 ( -3.246 0.909 1.158) 3.565 6.093 ( -0.358 -0.161 -0.434) 0.585 6.122 ( -0.666 -1.010 0.398) 1.274 7.196 ( 0.996 0.159 0.223) 1.033 7.227 ( 0.935 -1.335 -0.387) 1.675 7.597 ( -1.667 0.345 0.006) 1.702 7.599 ( -1.540 0.248 0.094) 1.563 12.034 ( -2.641 -0.601 -0.324) 2.728 12.068 ( -0.871 -1.423 -0.124) 1.673 12.140 ( -0.171 -0.223 -2.453) 2.469 12.233 ( 1.186 -0.152 3.158) 3.376 12.334 ( 0.730 4.399 -0.343) 4.473 12.511 ( 0.321 -2.752 -0.913) 2.918 12.632 ( 0.220 0.164 -0.004) 0.274 12.642 ( 0.847 0.204 0.349) 0.939 ======================= Grid point 218 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 1.477 -0.834 -11.653) 11.776 0.872 ( -1.373 0.982 -0.842) 1.887 0.983 ( -0.243 1.060 4.303) 4.438 1.109 ( -2.377 -0.837 3.359) 4.199 1.147 ( 0.531 2.567 -0.805) 2.742 1.200 ( -2.006 -0.588 -1.734) 2.716 1.314 ( 0.354 0.612 3.870) 3.934 1.359 ( -3.416 -0.930 4.464) 5.697 1.451 ( 5.297 2.067 -0.158) 5.688 1.506 ( 5.936 -0.384 0.187) 5.952 1.650 ( 4.469 0.256 -4.813) 6.573 1.791 ( 4.070 1.312 0.935) 4.377 1.899 ( -0.195 -0.860 -2.624) 2.768 1.986 ( 0.013 -2.029 1.938) 2.806 2.091 ( -1.013 -0.033 -4.153) 4.275 2.184 ( 0.670 -1.284 -2.519) 2.906 2.330 ( -1.850 1.989 -0.049) 2.716 2.363 ( 0.358 0.640 2.054) 2.181 2.397 ( -0.246 -1.280 1.123) 1.721 2.436 ( -1.391 -0.751 1.066) 1.907 2.677 ( -3.723 1.113 -0.419) 3.908 2.706 ( -3.019 -0.037 -0.442) 3.051 2.945 ( -23.906 0.206 -0.569) 23.913 2.977 ( -23.679 0.453 1.000) 23.704 3.816 ( 17.154 -0.047 -0.174) 17.154 3.824 ( 17.131 -0.016 0.245) 17.133 4.266 ( -0.692 0.024 -0.167) 0.712 4.275 ( -0.459 -0.121 0.036) 0.476 4.403 ( 0.531 -0.147 -1.327) 1.437 4.453 ( 1.025 0.216 1.143) 1.551 4.728 ( 1.571 -0.354 -0.708) 1.759 4.767 ( 1.347 -0.443 0.788) 1.623 6.075 ( -1.185 0.471 -0.794) 1.502 6.093 ( -0.856 -0.443 -1.075) 1.444 6.111 ( 0.574 -0.171 0.660) 0.891 6.146 ( -2.654 0.372 1.372) 3.011 7.185 ( 0.497 0.163 -0.116) 0.535 7.210 ( -0.004 -0.709 0.067) 0.713 7.618 ( -0.537 0.095 0.002) 0.545 7.621 ( -0.713 0.160 0.122) 0.741 12.056 ( -1.363 -0.858 -0.889) 1.840 12.080 ( -1.071 -0.966 -0.623) 1.571 12.134 ( -0.441 0.105 -0.636) 0.781 12.225 ( 1.464 -0.248 3.338) 3.653 12.360 ( -0.069 4.785 -1.097) 4.910 12.485 ( -0.276 -3.089 -0.975) 3.251 12.627 ( 0.926 0.164 0.075) 0.944 12.628 ( 0.520 -0.015 0.073) 0.525 ======================= Grid point 219 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -0.632 -1.415 -10.287) 10.403 0.926 ( -2.384 3.014 0.466) 3.871 0.983 ( 1.602 -0.842 2.511) 3.095 1.042 ( 7.535 -2.358 6.819) 10.432 1.212 ( 1.317 0.245 -1.909) 2.332 1.233 ( -3.338 -0.114 -1.395) 3.620 1.308 ( -1.737 0.908 -0.558) 2.037 1.338 ( 7.076 0.471 -0.259) 7.096 1.443 ( -2.318 0.607 0.382) 2.426 1.455 ( -0.867 -0.546 -0.330) 1.076 1.591 ( -1.398 -0.114 -3.001) 3.313 1.749 ( 1.817 0.538 1.628) 2.498 1.910 ( -1.947 0.384 -0.259) 2.001 1.990 ( -0.422 -1.057 2.537) 2.781 2.097 ( -1.867 -0.388 -3.678) 4.143 2.148 ( 1.238 -0.417 -3.049) 3.317 2.360 ( 0.680 0.945 -0.648) 1.333 2.365 ( -0.832 0.981 0.946) 1.597 2.389 ( 0.778 -0.948 1.655) 2.060 2.453 ( -0.757 -0.414 0.247) 0.898 2.693 ( 1.944 -0.142 -0.831) 2.119 2.724 ( 0.876 -0.119 0.118) 0.892 3.231 ( 0.769 -0.030 -0.743) 1.070 3.277 ( 0.167 0.146 0.892) 0.920 3.589 ( -0.497 0.025 0.012) 0.498 3.592 ( -0.021 0.035 0.102) 0.110 4.277 ( -0.537 0.173 -0.134) 0.580 4.282 ( -0.328 0.060 0.019) 0.334 4.399 ( -0.654 -0.008 -0.788) 1.024 4.443 ( 0.690 0.022 0.760) 1.027 4.715 ( -0.709 -0.102 -0.831) 1.098 4.762 ( -0.681 -0.043 0.849) 1.090 6.065 ( 1.285 -0.127 -0.218) 1.310 6.083 ( 1.546 -0.710 -0.031) 1.702 6.117 ( -0.927 0.330 -0.997) 1.400 6.191 ( -1.208 0.502 1.450) 1.953 7.180 ( -0.115 0.015 -0.632) 0.643 7.218 ( -1.047 -0.061 0.680) 1.250 7.620 ( 0.288 -0.018 -0.013) 0.289 7.625 ( 0.359 0.021 0.189) 0.406 12.069 ( -0.410 0.179 -1.039) 1.131 12.080 ( -1.273 -1.185 -1.212) 2.120 12.147 ( -0.389 0.394 1.043) 1.181 12.208 ( 1.646 -0.376 2.744) 3.222 12.391 ( -0.242 4.198 -1.578) 4.491 12.468 ( -0.931 -3.077 -0.661) 3.282 12.611 ( 0.690 -0.033 -0.149) 0.706 12.623 ( 0.245 -0.059 0.188) 0.315 ======================= Grid point 220 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -3.829 -0.000 -4.823) 6.158 0.882 ( 11.791 0.000 3.600) 12.329 0.912 ( 4.852 0.000 -0.846) 4.925 1.025 ( -4.447 -0.000 0.918) 4.540 1.096 ( 8.341 0.000 -1.000) 8.401 1.169 ( 8.290 0.000 3.239) 8.900 1.334 ( -3.530 -0.000 -2.763) 4.483 1.375 ( -2.501 -0.000 -1.115) 2.738 1.429 ( -0.516 0.000 -5.236) 5.262 1.526 ( -7.816 -0.000 -1.349) 7.931 1.685 ( -7.777 -0.000 1.254) 7.877 1.763 ( -1.937 -0.000 3.612) 4.099 1.959 ( -2.873 -0.000 1.351) 3.175 2.001 ( 0.498 -0.000 3.630) 3.664 2.102 ( 2.771 0.000 -3.240) 4.263 2.117 ( -2.181 -0.000 -3.405) 4.044 2.344 ( 0.842 0.000 -1.471) 1.695 2.369 ( 2.187 0.000 2.983) 3.699 2.393 ( -1.451 -0.000 -0.162) 1.460 2.457 ( 0.113 0.000 -1.091) 1.097 2.611 ( 6.682 0.000 -1.211) 6.791 2.675 ( 4.657 0.000 0.436) 4.677 2.921 ( 25.003 0.000 -0.659) 25.012 2.980 ( 24.266 0.000 0.821) 24.279 3.822 ( -17.309 -0.000 -0.068) 17.309 3.827 ( -17.164 -0.000 0.056) 17.164 4.285 ( -0.478 -0.000 -0.073) 0.484 4.287 ( -0.280 -0.000 -0.013) 0.281 4.418 ( -1.740 -0.000 -0.195) 1.751 4.437 ( 0.343 0.000 0.276) 0.440 4.741 ( -2.662 -0.000 -0.719) 2.757 4.795 ( -2.591 -0.000 0.718) 2.688 6.036 ( 1.871 0.000 -0.144) 1.877 6.045 ( 2.549 0.000 -0.046) 2.550 6.120 ( 0.257 0.000 -0.971) 1.005 6.203 ( 0.625 0.000 1.134) 1.295 7.185 ( -0.735 -0.000 -0.761) 1.058 7.247 ( -1.863 -0.000 0.904) 2.071 7.608 ( 1.020 0.000 0.058) 1.021 7.611 ( 1.334 0.000 0.134) 1.341 12.059 ( 0.532 0.000 -1.206) 1.318 12.105 ( -1.897 -0.000 -0.436) 1.946 12.150 ( 0.871 0.000 0.767) 1.160 12.191 ( 1.369 0.000 2.487) 2.839 12.412 ( -0.947 -0.000 -1.494) 1.769 12.468 ( -0.804 -0.000 -0.283) 0.852 12.605 ( -0.187 -0.000 -0.099) 0.212 12.621 ( 0.036 -0.000 0.207) 0.210 ======================= Grid point 225 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -0.000 11.861 6.586) 13.567 0.441 ( -0.000 12.439 2.741) 12.738 0.511 ( -0.000 8.773 4.467) 9.844 0.744 ( -0.000 19.894 1.719) 19.968 0.853 ( -0.000 7.425 1.167) 7.517 0.953 ( -0.000 9.855 -5.049) 11.074 1.144 ( 0.000 -3.193 2.248) 3.905 1.238 ( -0.000 2.450 -4.007) 4.697 1.261 ( 0.000 -1.055 0.127) 1.063 1.457 ( 0.000 0.060 -1.686) 1.687 1.655 ( 0.000 -2.082 1.516) 2.576 1.762 ( 0.000 -6.633 1.749) 6.859 2.007 ( -0.000 0.927 -0.089) 0.931 2.035 ( 0.000 0.147 -2.925) 2.929 2.049 ( 0.000 -2.586 -7.673) 8.097 2.100 ( -0.000 3.055 2.659) 4.050 2.169 ( -0.000 1.098 -5.961) 6.061 2.288 ( 0.000 -0.389 -0.877) 0.959 2.290 ( 0.000 -3.565 4.338) 5.614 2.349 ( 0.000 -0.685 2.963) 3.041 2.356 ( 0.000 -1.783 5.483) 5.766 2.393 ( -0.000 1.514 -0.700) 1.668 2.564 ( -0.000 0.893 1.529) 1.770 2.814 ( 0.000 -3.330 -2.967) 4.460 4.273 ( 0.000 -2.017 0.140) 2.022 4.285 ( 0.000 -2.254 0.252) 2.268 4.411 ( -0.000 0.563 0.022) 0.564 4.425 ( 0.000 0.050 -0.695) 0.697 4.459 ( -0.000 0.863 1.252) 1.521 4.547 ( 0.000 -0.095 -0.466) 0.476 4.892 ( 0.000 -0.457 -0.101) 0.468 4.943 ( 0.000 -2.175 -0.396) 2.211 5.881 ( 0.000 -0.467 0.943) 1.053 5.944 ( 0.000 -1.477 -0.170) 1.487 6.059 ( -0.000 0.904 0.026) 0.904 6.089 ( -0.000 0.359 -0.643) 0.737 7.250 ( -0.000 0.441 0.310) 0.539 7.252 ( -0.000 0.834 0.066) 0.837 7.500 ( -0.000 0.070 0.026) 0.075 7.504 ( 0.000 -0.008 -0.019) 0.020 11.861 ( -0.000 1.848 0.522) 1.921 12.036 ( -0.000 2.656 -1.598) 3.099 12.114 ( 0.000 -1.468 -0.354) 1.510 12.278 ( -0.000 3.327 -1.292) 3.569 12.457 ( 0.000 -3.620 0.463) 3.650 12.494 ( 0.000 -0.243 -0.014) 0.244 12.624 ( 0.000 -0.036 0.167) 0.171 12.656 ( 0.000 -0.372 -0.219) 0.432 ======================= Grid point 226 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -5.285 9.777 3.531) 11.662 0.644 ( -5.229 7.793 5.175) 10.717 0.705 ( -10.484 9.280 3.476) 14.426 0.945 ( -0.225 5.591 -4.682) 7.296 0.987 ( -12.402 7.212 0.388) 14.351 1.090 ( -6.294 3.577 -0.662) 7.270 1.204 ( -7.431 4.286 -0.892) 8.625 1.248 ( -6.523 3.495 -1.337) 7.520 1.286 ( -4.947 0.477 1.293) 5.135 1.478 ( -4.251 -0.177 -0.362) 4.270 1.633 ( 1.234 -1.744 1.828) 2.812 1.730 ( -0.048 -6.304 2.031) 6.623 1.964 ( 3.441 -1.340 -3.709) 5.234 1.999 ( 0.617 -0.077 -3.209) 3.269 2.022 ( 1.347 -1.097 -1.554) 2.331 2.110 ( 0.871 0.672 -3.556) 3.722 2.170 ( -0.607 0.514 -2.828) 2.937 2.250 ( 0.440 -0.885 1.554) 1.842 2.327 ( -3.259 -1.772 2.477) 4.461 2.361 ( -0.260 0.106 5.107) 5.115 2.387 ( -1.872 0.218 2.012) 2.756 2.440 ( -3.860 1.225 0.109) 4.051 2.555 ( 2.083 0.118 1.067) 2.343 2.686 ( 8.360 -0.629 -1.944) 8.606 4.262 ( -0.250 -2.046 -0.183) 2.069 4.271 ( -0.246 -2.053 0.316) 2.092 4.378 ( 4.186 0.209 -0.139) 4.193 4.391 ( 4.184 -0.131 0.069) 4.187 4.461 ( 0.858 1.071 0.769) 1.573 4.530 ( 1.537 -0.153 -0.523) 1.631 4.873 ( 1.717 -0.553 0.021) 1.804 4.911 ( 1.668 -1.996 -0.447) 2.640 5.901 ( -2.256 -0.138 0.322) 2.283 5.961 ( -2.835 -1.273 0.008) 3.107 6.068 ( -0.358 0.824 -0.368) 0.971 6.094 ( -0.643 0.502 0.157) 0.831 7.238 ( 1.205 0.259 -0.196) 1.248 7.272 ( -0.523 -0.817 0.070) 0.973 7.518 ( -1.912 0.293 0.035) 1.935 7.522 ( -1.986 0.113 0.046) 1.989 11.916 ( -3.741 0.578 0.223) 3.792 12.057 ( -1.156 1.334 -2.532) 3.087 12.111 ( -0.504 -0.619 1.130) 1.384 12.282 ( 1.274 2.345 -2.621) 3.740 12.371 ( 4.153 -0.876 2.182) 4.773 12.538 ( -2.153 -1.980 -0.551) 2.976 12.628 ( -0.316 0.034 0.394) 0.506 12.651 ( 0.007 -0.222 -0.161) 0.274 ======================= Grid point 227 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -1.388 4.891 -3.645) 6.256 0.818 ( -5.634 5.670 4.577) 9.210 0.869 ( -1.393 6.204 2.649) 6.889 0.940 ( -0.704 1.123 -2.718) 3.024 1.113 ( -0.743 5.142 0.152) 5.198 1.208 ( -0.694 1.066 -2.395) 2.712 1.230 ( -3.222 3.011 3.028) 5.350 1.354 ( -1.581 -0.943 0.406) 1.885 1.549 ( -2.091 -0.406 1.533) 2.624 1.658 ( -0.232 -0.792 1.643) 1.839 1.708 ( -21.388 1.844 -0.204) 21.469 1.746 ( -15.575 -0.416 2.247) 15.742 1.866 ( 4.949 -1.315 -2.528) 5.710 1.959 ( 1.378 -1.429 -3.695) 4.194 2.000 ( -0.275 2.191 -1.303) 2.564 2.078 ( 0.033 -1.215 -3.888) 4.074 2.149 ( -1.391 -3.758 -1.168) 4.174 2.282 ( -2.473 0.964 0.218) 2.663 2.365 ( -0.406 -2.742 6.009) 6.617 2.399 ( -2.108 0.089 0.655) 2.209 2.462 ( -4.342 2.482 1.145) 5.130 2.503 ( 0.502 1.030 -1.948) 2.260 2.537 ( -3.457 0.320 0.398) 3.494 2.575 ( 2.563 1.248 0.538) 2.901 4.251 ( 0.611 -1.303 -0.273) 1.465 4.266 ( 0.110 -1.165 0.013) 1.170 4.271 ( 7.682 -0.245 -0.038) 7.686 4.280 ( 8.189 -0.292 0.350) 8.202 4.448 ( 1.529 0.356 -0.297) 1.598 4.497 ( 1.817 0.178 0.187) 1.835 4.829 ( 2.857 -0.725 -0.021) 2.947 4.859 ( 2.547 -1.409 -0.154) 2.915 5.954 ( -3.673 0.320 -0.489) 3.719 6.014 ( -3.692 -0.121 0.575) 3.738 6.081 ( -0.739 0.238 -0.513) 0.930 6.113 ( -1.039 -0.116 0.461) 1.142 7.216 ( 1.271 -0.017 0.075) 1.273 7.255 ( 1.129 -1.357 -0.399) 1.810 7.559 ( -2.292 0.449 -0.047) 2.336 7.564 ( -2.358 0.272 0.196) 2.382 11.982 ( -3.587 -0.089 0.003) 3.588 12.063 ( -0.758 -1.075 -1.410) 1.928 12.125 ( -0.637 -0.021 -0.630) 0.896 12.258 ( 1.183 0.883 -0.294) 1.505 12.335 ( 2.239 2.265 1.587) 3.558 12.532 ( 0.155 -2.347 -0.986) 2.550 12.634 ( -0.030 0.053 0.239) 0.246 12.651 ( 0.147 0.104 0.296) 0.347 ======================= Grid point 228 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 1.441 0.697 -8.823) 8.967 0.863 ( 0.959 0.726 -1.120) 1.644 0.963 ( -1.815 2.923 3.704) 5.056 1.003 ( -5.416 3.205 0.919) 6.360 1.145 ( 0.498 3.628 -2.136) 4.240 1.210 ( 0.509 1.131 1.751) 2.146 1.309 ( -2.565 0.047 4.518) 5.195 1.359 ( -0.387 -1.900 2.554) 3.207 1.519 ( 3.613 0.467 1.055) 3.792 1.608 ( 5.259 0.743 1.225) 5.450 1.734 ( 6.743 -0.001 -1.610) 6.932 1.844 ( 1.743 1.409 -1.258) 2.570 1.894 ( 0.697 -1.797 -3.845) 4.301 2.012 ( 0.094 -2.345 -0.555) 2.412 2.052 ( -2.617 0.931 -2.335) 3.629 2.162 ( -8.629 -3.124 0.246) 9.180 2.227 ( -9.081 2.461 -1.930) 9.604 2.359 ( -6.195 -4.168 -0.574) 7.488 2.378 ( -0.893 0.483 4.403) 4.518 2.427 ( -0.601 -0.188 1.303) 1.447 2.531 ( -10.271 2.694 -1.781) 10.767 2.597 ( -8.986 0.563 -0.184) 9.005 2.617 ( -8.242 1.869 0.527) 8.468 2.661 ( -8.915 0.603 1.075) 8.999 4.080 ( 13.349 -0.101 -0.132) 13.350 4.089 ( 13.345 -0.103 0.207) 13.347 4.255 ( -0.711 -0.677 -0.188) 1.000 4.269 ( -0.508 -0.534 0.054) 0.739 4.417 ( 1.469 -0.262 -1.157) 1.888 4.476 ( 1.382 0.472 0.917) 1.725 4.770 ( 2.959 -0.811 -0.339) 3.087 4.808 ( 2.464 -0.726 0.373) 2.595 6.018 ( -3.554 0.531 -0.939) 3.714 6.083 ( -2.555 1.256 0.622) 2.914 6.090 ( -1.384 -0.679 0.016) 1.542 6.125 ( -0.504 -0.696 0.356) 0.930 7.198 ( 0.960 0.021 0.368) 1.028 7.223 ( 0.909 -1.158 -0.569) 1.579 7.597 ( -1.723 0.392 0.024) 1.767 7.600 ( -1.464 0.219 0.098) 1.484 12.031 ( -2.361 -0.896 -0.343) 2.548 12.065 ( -1.081 -1.052 -0.456) 1.576 12.122 ( -0.418 -0.593 -1.669) 1.820 12.259 ( 0.783 0.807 2.913) 3.122 12.330 ( 1.160 3.850 -0.456) 4.047 12.502 ( 0.327 -2.743 -1.183) 3.005 12.632 ( 0.236 0.092 -0.005) 0.253 12.645 ( 0.906 0.168 0.392) 1.001 ======================= Grid point 229 (93/171) ======================= q-point: ( 0.70 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 1.486 -2.059 -10.318) 10.626 0.865 ( -2.013 0.222 -0.758) 2.163 1.018 ( -0.369 1.465 4.060) 4.332 1.120 ( -5.609 1.601 -0.308) 5.841 1.140 ( 0.037 1.432 -1.509) 2.081 1.207 ( 1.647 -1.036 3.391) 3.910 1.343 ( 2.002 0.822 2.745) 3.496 1.390 ( -3.312 -0.901 2.675) 4.352 1.453 ( 5.682 1.744 0.302) 5.951 1.499 ( 5.518 -1.148 -1.990) 5.977 1.624 ( 5.772 0.669 -0.841) 5.871 1.795 ( 3.638 1.451 0.259) 3.925 1.872 ( -1.297 -0.519 -3.593) 3.855 1.996 ( -0.441 -1.793 0.394) 1.888 2.064 ( -1.264 -0.895 -2.113) 2.620 2.161 ( 0.897 -1.555 -2.414) 3.008 2.324 ( -1.928 1.288 -0.946) 2.504 2.381 ( 1.193 0.740 2.003) 2.446 2.410 ( -0.583 -0.953 1.706) 2.039 2.443 ( -0.957 -0.281 0.584) 1.156 2.674 ( -3.858 0.686 -0.352) 3.935 2.702 ( -3.300 0.117 -0.530) 3.344 2.941 ( -23.792 0.171 -0.349) 23.795 2.985 ( -23.405 0.556 0.776) 23.424 3.815 ( 17.142 -0.060 -0.120) 17.143 3.826 ( 17.120 0.004 0.192) 17.121 4.264 ( -0.735 -0.049 -0.153) 0.753 4.275 ( -0.431 -0.065 0.021) 0.437 4.393 ( 0.373 -0.237 -0.995) 1.089 4.461 ( 1.123 0.306 0.809) 1.418 4.722 ( 1.616 -0.550 -0.533) 1.789 4.773 ( 1.316 -0.248 0.615) 1.473 6.068 ( -1.926 0.422 -0.699) 2.092 6.085 ( -0.138 -0.590 -0.682) 0.912 6.116 ( 0.707 -0.250 0.524) 0.914 6.156 ( -2.809 0.668 1.020) 3.062 7.184 ( 0.720 -0.075 -0.111) 0.733 7.210 ( -0.281 -0.454 0.062) 0.538 7.618 ( -0.501 0.079 0.012) 0.508 7.622 ( -0.754 0.205 0.111) 0.789 12.049 ( -1.429 -1.072 -0.594) 1.883 12.072 ( -0.571 -0.954 -1.152) 1.601 12.133 ( -1.298 0.204 0.307) 1.349 12.252 ( 1.778 -0.087 2.895) 3.399 12.350 ( 0.089 4.764 -1.235) 4.922 12.475 ( -0.436 -3.167 -1.093) 3.379 12.627 ( 0.874 0.117 0.093) 0.887 12.629 ( 0.640 -0.037 0.043) 0.643 ======================= Grid point 230 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -2.465 -2.081 -7.698) 8.347 0.929 ( -4.028 1.788 0.084) 4.408 0.999 ( 3.252 -1.063 1.499) 3.735 1.104 ( 9.311 -0.660 7.392) 11.907 1.199 ( 0.709 -0.109 -1.213) 1.409 1.223 ( -4.645 -0.176 -0.906) 4.736 1.296 ( 1.558 2.876 -2.502) 4.118 1.332 ( 3.711 -1.434 -0.797) 4.058 1.432 ( 1.866 0.432 -2.405) 3.074 1.451 ( -0.055 -0.252 -0.503) 0.565 1.585 ( -3.380 -0.298 1.017) 3.542 1.767 ( 1.014 0.645 2.455) 2.733 1.901 ( -3.370 0.190 -1.698) 3.779 2.005 ( -1.029 -0.329 0.933) 1.427 2.073 ( -1.817 -1.313 -1.935) 2.961 2.125 ( 1.416 -0.434 -2.086) 2.558 2.345 ( -0.160 0.721 -1.761) 1.909 2.377 ( 0.246 0.783 1.173) 1.431 2.408 ( 0.889 -0.575 2.289) 2.523 2.452 ( -0.250 -0.216 -0.449) 0.558 2.687 ( 2.095 -0.252 -0.568) 2.185 2.724 ( 0.682 -0.101 -0.020) 0.690 3.226 ( 0.841 -0.078 -0.456) 0.960 3.284 ( 0.095 0.212 0.577) 0.622 3.589 ( -0.541 0.028 0.016) 0.541 3.593 ( 0.073 0.045 0.076) 0.115 4.276 ( -0.569 0.147 -0.099) 0.596 4.282 ( -0.314 0.073 0.006) 0.322 4.394 ( -0.899 -0.078 -0.513) 1.037 4.449 ( 0.850 0.090 0.490) 0.985 4.709 ( -0.691 -0.172 -0.536) 0.891 4.768 ( -0.664 0.028 0.550) 0.863 6.063 ( 1.217 -0.302 -0.112) 1.258 6.082 ( 1.226 -0.536 -0.284) 1.368 6.111 ( -0.497 0.290 -0.375) 0.687 6.201 ( -1.203 0.565 0.936) 1.626 7.176 ( 0.004 -0.049 -0.406) 0.409 7.223 ( -1.202 0.008 0.445) 1.282 7.620 ( 0.274 -0.014 0.005) 0.274 7.626 ( 0.362 0.037 0.137) 0.388 12.061 ( -0.001 -0.161 -0.785) 0.801 12.072 ( -1.734 -0.857 -0.726) 2.066 12.156 ( -0.532 0.292 0.878) 1.067 12.229 ( 1.801 -0.292 2.033) 2.731 12.379 ( -0.153 4.114 -1.290) 4.314 12.462 ( -1.151 -3.027 -0.679) 3.309 12.610 ( 0.732 -0.066 -0.073) 0.739 12.624 ( 0.201 -0.033 0.106) 0.230 ======================= Grid point 231 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -5.877 -0.000 -2.760) 6.493 0.905 ( 14.388 0.000 1.723) 14.490 0.907 ( 6.107 0.000 -0.275) 6.113 1.031 ( -5.159 -0.000 0.393) 5.173 1.089 ( 8.264 0.000 -0.561) 8.283 1.203 ( 6.537 0.000 4.542) 7.960 1.306 ( -1.050 0.000 -3.942) 4.080 1.367 ( -2.042 -0.000 -0.735) 2.170 1.390 ( -2.659 -0.000 -3.501) 4.396 1.515 ( -8.251 -0.000 -1.020) 8.314 1.698 ( -7.611 -0.000 1.437) 7.746 1.792 ( -2.277 -0.000 2.928) 3.709 1.965 ( -3.840 -0.000 0.074) 3.841 2.026 ( -0.043 -0.000 2.148) 2.149 2.078 ( 2.969 0.000 -2.042) 3.604 2.093 ( -2.144 -0.000 -1.983) 2.920 2.329 ( 1.040 0.000 -1.596) 1.905 2.394 ( 1.931 0.000 2.695) 3.315 2.395 ( -1.345 -0.000 0.447) 1.418 2.444 ( 0.607 0.000 -1.701) 1.807 2.603 ( 6.940 0.000 -0.672) 6.972 2.678 ( 4.485 0.000 0.181) 4.488 2.917 ( 25.079 0.000 -0.323) 25.081 2.986 ( 24.261 0.000 0.428) 24.265 3.822 ( -17.301 -0.000 -0.035) 17.301 3.827 ( -17.129 -0.000 0.028) 17.129 4.285 ( -0.497 -0.000 -0.045) 0.499 4.287 ( -0.270 -0.000 -0.009) 0.270 4.417 ( -1.932 -0.000 -0.094) 1.935 4.438 ( 0.528 0.000 0.146) 0.548 4.736 ( -2.676 -0.000 -0.380) 2.703 4.799 ( -2.595 -0.000 0.378) 2.623 6.035 ( 1.837 0.000 -0.072) 1.838 6.044 ( 2.618 0.000 -0.075) 2.619 6.114 ( 0.303 0.000 -0.463) 0.554 6.211 ( 0.706 0.000 0.594) 0.923 7.180 ( -0.666 -0.000 -0.393) 0.774 7.253 ( -1.995 -0.000 0.481) 2.052 7.609 ( 0.993 0.000 0.039) 0.993 7.612 ( 1.359 0.000 0.081) 1.361 12.052 ( 0.459 0.000 -0.608) 0.762 12.102 ( -2.033 -0.000 -0.231) 2.046 12.156 ( 1.128 0.000 0.447) 1.213 12.208 ( 1.266 0.000 1.458) 1.931 12.402 ( -1.129 -0.000 -0.856) 1.417 12.465 ( -0.902 -0.000 -0.315) 0.956 12.605 ( -0.236 -0.000 -0.029) 0.238 12.622 ( 0.037 0.000 0.102) 0.108 ======================= Grid point 232 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -6.647 0.000 -0.000) 6.647 0.906 ( 6.566 -0.000 0.000) 6.566 0.912 ( 15.424 -0.000 0.000) 15.424 1.032 ( -5.381 0.000 -0.000) 5.381 1.086 ( 8.235 -0.000 0.000) 8.235 1.233 ( 5.849 -0.000 0.000) 5.849 1.278 ( 0.491 -0.000 0.000) 0.491 1.363 ( -1.856 0.000 -0.000) 1.856 1.375 ( -4.225 0.000 -0.000) 4.225 1.510 ( -8.449 0.000 -0.000) 8.449 1.705 ( -7.494 0.000 -0.000) 7.494 1.806 ( -2.329 0.000 -0.000) 2.329 1.964 ( -4.357 0.000 -0.000) 4.357 2.036 ( -0.504 0.000 -0.000) 0.504 2.069 ( 3.268 -0.000 0.000) 3.268 2.084 ( -2.010 0.000 -0.000) 2.010 2.322 ( 1.129 -0.000 0.000) 1.129 2.398 ( -1.299 0.000 -0.000) 1.299 2.409 ( 1.725 -0.000 0.000) 1.725 2.433 ( 0.888 -0.000 0.000) 0.888 2.600 ( 7.039 -0.000 0.000) 7.039 2.679 ( 4.425 -0.000 0.000) 4.425 2.916 ( 25.103 -0.000 0.000) 25.103 2.987 ( 24.262 -0.000 0.000) 24.262 3.821 ( -17.298 0.000 -0.000) 17.298 3.827 ( -17.116 0.000 -0.000) 17.116 4.285 ( -0.503 0.000 -0.000) 0.503 4.287 ( -0.267 0.000 -0.000) 0.267 4.416 ( -2.000 0.000 -0.000) 2.000 4.439 ( 0.592 -0.000 0.000) 0.592 4.735 ( -2.681 0.000 -0.000) 2.681 4.801 ( -2.597 0.000 -0.000) 2.597 6.035 ( 1.825 -0.000 0.000) 1.825 6.044 ( 2.638 -0.000 0.000) 2.638 6.112 ( 0.326 -0.000 0.000) 0.326 6.213 ( 0.736 -0.000 0.000) 0.736 7.178 ( -0.644 0.000 -0.000) 0.644 7.255 ( -2.041 0.000 -0.000) 2.041 7.609 ( 0.983 -0.000 0.000) 0.983 7.612 ( 1.367 -0.000 0.000) 1.367 12.049 ( 0.429 -0.000 0.000) 0.429 12.101 ( -2.082 0.000 -0.000) 2.082 12.158 ( 1.228 -0.000 0.000) 1.228 12.215 ( 1.229 -0.000 0.000) 1.229 12.398 ( -1.203 0.000 -0.000) 1.203 12.463 ( -0.940 0.000 -0.000) 0.940 12.605 ( -0.255 0.000 -0.000) 0.255 12.623 ( 0.037 -0.000 0.000) 0.037 ======================= Grid point 236 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 9.083 8.556) 12.478 0.474 ( -0.000 11.443 4.901) 12.448 0.570 ( -0.000 8.221 9.353) 12.453 0.752 ( -0.000 12.810 -0.340) 12.814 0.878 ( -0.000 12.510 5.005) 13.474 0.898 ( -0.000 7.822 -7.454) 10.805 1.152 ( 0.000 -0.007 -2.147) 2.147 1.198 ( -0.000 1.859 -4.134) 4.533 1.265 ( 0.000 -0.377 1.120) 1.182 1.437 ( -0.000 0.814 -2.784) 2.901 1.673 ( 0.000 -2.095 2.690) 3.409 1.781 ( 0.000 -6.141 2.466) 6.618 1.984 ( 0.000 -2.724 -6.521) 7.067 2.004 ( 0.000 -0.134 -4.474) 4.476 2.008 ( -0.000 0.990 -0.173) 1.005 2.101 ( -0.000 1.479 -5.343) 5.544 2.137 ( -0.000 3.305 2.140) 3.937 2.289 ( 0.000 -0.309 0.759) 0.819 2.307 ( 0.000 -3.860 0.199) 3.865 2.367 ( -0.000 1.784 -1.115) 2.104 2.399 ( 0.000 -1.782 4.477) 4.819 2.407 ( 0.000 -0.742 5.078) 5.132 2.583 ( -0.000 0.329 2.711) 2.730 2.781 ( 0.000 -2.533 -4.589) 5.241 4.275 ( 0.000 -2.036 0.262) 2.052 4.288 ( 0.000 -2.338 0.197) 2.347 4.411 ( -0.000 0.558 0.051) 0.560 4.420 ( -0.000 0.225 -0.508) 0.556 4.470 ( -0.000 0.711 1.470) 1.633 4.541 ( 0.000 -0.001 -0.881) 0.881 4.892 ( 0.000 -0.562 0.135) 0.578 4.938 ( 0.000 -2.093 -0.752) 2.224 5.892 ( 0.000 -1.022 1.403) 1.736 5.942 ( 0.000 -1.543 -0.350) 1.582 6.060 ( -0.000 0.913 0.065) 0.915 6.082 ( -0.000 0.708 -0.896) 1.143 7.252 ( -0.000 0.814 0.121) 0.823 7.253 ( -0.000 0.440 0.354) 0.565 7.500 ( -0.000 0.038 0.049) 0.062 7.503 ( 0.000 -0.028 -0.036) 0.046 11.868 ( -0.000 1.931 1.068) 2.207 12.014 ( -0.000 2.529 -3.519) 4.333 12.117 ( 0.000 -0.276 1.157) 1.190 12.263 ( -0.000 2.706 -2.314) 3.560 12.462 ( 0.000 -2.960 0.748) 3.053 12.494 ( 0.000 -0.310 -0.155) 0.346 12.626 ( -0.000 -0.030 0.322) 0.324 12.653 ( 0.000 -0.316 -0.405) 0.513 ======================= Grid point 237 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -2.953 7.281 3.786) 8.722 0.703 ( -5.807 7.728 7.907) 12.489 0.742 ( -9.007 7.862 5.336) 13.092 0.897 ( -0.775 4.556 -6.009) 7.580 0.983 ( -13.627 4.365 -1.788) 14.420 1.095 ( -6.405 7.928 1.617) 10.320 1.169 ( -1.232 3.942 -6.336) 7.563 1.254 ( -12.146 4.295 1.614) 12.984 1.299 ( -4.345 0.328 1.753) 4.696 1.473 ( -5.684 0.272 -0.924) 5.765 1.654 ( 1.590 -1.573 3.194) 3.900 1.748 ( 0.564 -5.033 2.040) 5.459 1.933 ( 1.137 -2.005 -3.734) 4.388 1.955 ( 2.316 -0.879 -5.883) 6.384 2.012 ( 0.297 0.556 -1.161) 1.321 2.079 ( 1.563 1.315 -3.774) 4.291 2.164 ( 0.387 -0.208 0.924) 1.023 2.262 ( 0.117 -0.605 1.274) 1.415 2.335 ( -3.351 -0.330 0.245) 3.376 2.391 ( -1.928 1.978 -0.493) 2.806 2.416 ( -0.384 -1.730 5.692) 5.962 2.449 ( -3.148 0.224 2.064) 3.771 2.565 ( 2.792 -0.693 1.369) 3.185 2.666 ( 7.054 -0.707 -2.582) 7.545 4.261 ( -0.087 -2.103 -0.056) 2.105 4.273 ( -0.232 -2.011 0.173) 2.032 4.377 ( 4.184 0.215 -0.126) 4.192 4.391 ( 3.981 -0.045 0.085) 3.982 4.469 ( 1.222 0.799 1.044) 1.795 4.524 ( 1.398 0.026 -0.795) 1.608 4.874 ( 1.656 -0.700 0.206) 1.810 4.906 ( 1.601 -1.821 -0.678) 2.518 5.904 ( -1.872 -0.448 0.370) 1.960 5.961 ( -3.084 -1.273 0.008) 3.336 6.065 ( -0.193 0.831 -0.388) 0.937 6.095 ( -1.040 0.464 0.139) 1.147 7.236 ( 1.150 0.175 -0.208) 1.182 7.273 ( -0.117 -0.508 0.061) 0.525 7.519 ( -1.889 0.270 0.062) 1.909 7.522 ( -2.091 0.099 0.022) 2.093 11.919 ( -3.214 0.948 0.479) 3.385 12.032 ( -1.614 1.377 -3.130) 3.782 12.123 ( -0.152 -0.449 1.794) 1.856 12.259 ( 0.901 1.792 -2.785) 3.432 12.388 ( 3.844 -0.257 1.830) 4.265 12.533 ( -1.824 -1.784 -0.607) 2.623 12.632 ( -0.376 0.001 0.446) 0.583 12.650 ( -0.150 -0.129 -0.233) 0.306 ======================= Grid point 238 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.042 2.579 -3.321) 4.332 0.851 ( -1.651 3.745 1.957) 4.537 0.888 ( -4.044 4.774 2.162) 6.620 0.935 ( -1.195 4.326 2.155) 4.978 1.107 ( -0.455 5.628 -1.384) 5.813 1.180 ( -1.732 2.595 -3.595) 4.760 1.263 ( -5.102 1.870 3.958) 6.723 1.355 ( -2.239 -0.558 -0.128) 2.311 1.568 ( -2.069 -0.862 3.055) 3.789 1.663 ( -3.900 -0.418 -0.359) 3.938 1.711 ( -17.187 1.598 0.832) 17.281 1.767 ( -14.297 -0.161 2.162) 14.460 1.852 ( 5.751 -0.872 -0.522) 5.840 1.904 ( -1.022 0.657 -6.990) 7.095 2.004 ( 0.539 0.708 0.668) 1.112 2.043 ( -0.062 -0.759 -4.161) 4.230 2.142 ( -1.441 -3.944 -0.400) 4.218 2.289 ( -2.068 0.111 1.319) 2.455 2.389 ( -2.166 0.178 -0.674) 2.276 2.420 ( 0.637 -1.408 4.343) 4.610 2.471 ( -3.118 1.647 1.039) 3.676 2.489 ( -0.336 0.359 -1.273) 1.364 2.542 ( -3.297 0.485 0.808) 3.429 2.577 ( 1.597 1.199 -0.116) 2.001 4.249 ( 0.667 -1.330 -0.189) 1.499 4.265 ( 0.769 -1.006 -0.059) 1.268 4.271 ( 7.508 -0.299 -0.054) 7.514 4.283 ( 7.706 -0.366 0.346) 7.722 4.446 ( 2.022 -0.048 -0.279) 2.041 4.499 ( 1.411 0.520 0.171) 1.513 4.829 ( 2.891 -1.005 0.011) 3.061 4.858 ( 2.393 -1.086 -0.179) 2.634 5.950 ( -3.457 0.088 -0.411) 3.482 6.019 ( -3.931 -0.037 0.495) 3.963 6.077 ( -0.801 0.108 -0.419) 0.910 6.117 ( -1.019 -0.055 0.366) 1.085 7.217 ( 0.969 -0.209 0.094) 0.996 7.251 ( 1.455 -1.049 -0.409) 1.840 7.559 ( -2.271 0.463 -0.008) 2.318 7.566 ( -2.376 0.253 0.149) 2.394 11.982 ( -3.441 0.073 0.032) 3.442 12.050 ( -1.263 -0.382 -1.537) 2.026 12.120 ( 0.163 -1.251 -0.364) 1.313 12.256 ( -0.001 2.328 -0.210) 2.337 12.348 ( 2.645 1.540 1.415) 3.373 12.523 ( 0.331 -2.270 -0.962) 2.488 12.635 ( 0.081 -0.033 0.126) 0.153 12.654 ( -0.010 0.142 0.329) 0.358 ======================= Grid point 239 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 2.541 -0.598 -6.764) 7.251 0.855 ( 0.883 0.220 -0.770) 1.192 0.995 ( -1.060 3.177 3.661) 4.962 1.009 ( -5.385 3.044 0.525) 6.208 1.125 ( 1.020 3.321 -2.425) 4.237 1.223 ( -1.070 2.267 1.230) 2.792 1.345 ( -2.626 -0.394 3.650) 4.514 1.376 ( -1.123 -1.262 1.326) 2.148 1.536 ( 4.113 0.226 2.852) 5.011 1.607 ( 6.619 0.365 -1.208) 6.738 1.735 ( 6.848 0.955 1.510) 7.077 1.817 ( 0.013 -0.645 -4.903) 4.945 1.870 ( 1.934 0.811 -1.492) 2.574 2.005 ( -0.412 -2.159 -1.323) 2.565 2.039 ( -1.980 0.145 -0.610) 2.077 2.164 ( -5.662 -4.639 0.162) 7.321 2.214 ( -12.431 2.899 -1.164) 12.817 2.354 ( -6.505 -3.617 -0.626) 7.469 2.413 ( 0.607 0.181 3.538) 3.594 2.436 ( -0.487 0.329 0.797) 0.991 2.516 ( -11.568 2.311 -1.615) 11.907 2.596 ( -8.028 0.411 -0.063) 8.039 2.620 ( -7.928 1.813 0.276) 8.137 2.669 ( -9.618 0.735 0.776) 9.677 4.079 ( 13.355 -0.105 -0.080) 13.356 4.090 ( 13.352 -0.103 0.141) 13.353 4.253 ( -0.749 -0.752 -0.139) 1.070 4.269 ( -0.457 -0.474 0.030) 0.659 4.408 ( 1.551 -0.397 -0.770) 1.777 4.482 ( 1.309 0.589 0.575) 1.546 4.768 ( 2.997 -1.030 -0.233) 3.178 4.811 ( 2.369 -0.492 0.262) 2.433 6.011 ( -3.505 0.379 -0.614) 3.578 6.083 ( -0.640 0.458 -0.229) 0.820 6.095 ( -3.600 -0.025 0.669) 3.662 6.128 ( -0.318 -0.457 0.218) 0.598 7.202 ( 0.917 -0.172 0.502) 1.060 7.218 ( 0.891 -0.926 -0.664) 1.446 7.598 ( -1.757 0.427 0.026) 1.808 7.601 ( -1.412 0.203 0.071) 1.428 12.029 ( -2.203 -1.155 -0.231) 2.498 12.060 ( -1.020 -0.742 -0.642) 1.415 12.112 ( -0.905 -0.780 -0.759) 1.416 12.281 ( 0.287 2.178 2.174) 3.090 12.326 ( 1.765 2.749 -0.449) 3.298 12.492 ( 0.350 -2.776 -1.030) 2.981 12.632 ( 0.238 0.051 -0.004) 0.243 12.648 ( 0.971 0.122 0.290) 1.021 ======================= Grid point 240 (101/171) ======================= q-point: ( 0.80 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 1.443 -3.031 -6.323) 7.159 0.860 ( -2.356 -0.142 -0.423) 2.397 1.052 ( 0.069 1.421 3.692) 3.957 1.110 ( -3.211 1.931 -2.141) 4.315 1.127 ( -4.115 0.823 -0.962) 4.305 1.242 ( 1.601 0.627 3.916) 4.276 1.361 ( 3.353 0.355 1.653) 3.755 1.401 ( -0.256 -0.533 -0.306) 0.666 1.447 ( 6.168 -0.316 -1.816) 6.438 1.488 ( 3.680 -0.251 0.230) 3.696 1.629 ( 6.919 1.058 1.336) 7.126 1.799 ( 1.516 0.933 0.802) 1.953 1.840 ( -1.165 -0.002 -3.663) 3.844 1.994 ( -0.567 -1.066 -0.611) 1.354 2.054 ( -1.395 -1.753 -0.480) 2.292 2.145 ( 0.822 -2.108 -1.260) 2.589 2.317 ( -1.607 1.157 -0.662) 2.088 2.395 ( 1.589 0.727 1.117) 2.074 2.423 ( -1.226 -1.131 1.210) 2.061 2.446 ( -0.303 0.323 0.129) 0.461 2.672 ( -3.971 0.282 -0.174) 3.985 2.698 ( -3.525 0.290 -0.382) 3.557 2.939 ( -23.689 0.154 -0.162) 23.690 2.990 ( -23.206 0.626 0.423) 23.218 3.814 ( 17.133 -0.067 -0.061) 17.133 3.828 ( 17.113 0.017 0.105) 17.113 4.263 ( -0.766 -0.096 -0.090) 0.777 4.276 ( -0.414 -0.031 0.008) 0.415 4.387 ( 0.269 -0.295 -0.533) 0.666 4.467 ( 1.178 0.365 0.418) 1.302 4.719 ( 1.647 -0.663 -0.281) 1.797 4.777 ( 1.296 -0.136 0.332) 1.345 6.063 ( -2.324 0.306 -0.405) 2.379 6.081 ( 0.241 -0.578 -0.322) 0.704 6.120 ( 0.777 -0.300 0.286) 0.880 6.163 ( -2.895 0.841 0.542) 3.063 7.183 ( 0.881 -0.246 -0.066) 0.917 7.211 ( -0.486 -0.269 0.036) 0.557 7.618 ( -0.480 0.074 0.010) 0.486 7.622 ( -0.780 0.235 0.066) 0.817 12.046 ( -1.533 -1.326 -0.251) 2.042 12.063 ( -0.333 -0.768 -0.803) 1.160 12.136 ( -1.765 0.175 0.349) 1.808 12.273 ( 2.159 0.030 1.869) 2.856 12.340 ( 0.095 4.810 -0.942) 4.902 12.467 ( -0.575 -3.271 -0.755) 3.406 12.628 ( 0.676 0.064 0.081) 0.684 12.629 ( 0.888 -0.037 -0.002) 0.889 ======================= Grid point 241 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -3.696 -2.516 -2.936) 5.349 0.929 ( -4.692 1.270 -0.013) 4.861 1.008 ( 4.135 -1.022 0.577) 4.299 1.161 ( 12.533 -0.593 4.969) 13.496 1.191 ( 0.361 -0.277 -0.456) 0.644 1.218 ( -5.179 -0.205 -0.303) 5.192 1.266 ( 1.026 4.319 -3.425) 5.607 1.327 ( 0.065 -2.653 -0.343) 2.675 1.415 ( 4.922 0.588 -1.059) 5.069 1.447 ( 0.734 -0.105 -0.296) 0.799 1.596 ( -3.868 -0.334 0.942) 3.995 1.786 ( 0.739 0.784 1.629) 1.953 1.885 ( -4.647 -0.127 -1.471) 4.876 2.008 ( -1.306 0.563 -0.014) 1.422 2.063 ( -1.711 -2.056 -0.443) 2.712 2.114 ( 1.419 -0.669 -0.613) 1.685 2.334 ( 0.073 0.661 -0.680) 0.951 2.384 ( 0.444 0.940 0.412) 1.118 2.424 ( 0.429 -0.912 1.358) 1.691 2.446 ( 0.342 0.158 -0.706) 0.800 2.684 ( 2.172 -0.317 -0.201) 2.204 2.724 ( 0.575 -0.096 -0.026) 0.584 3.223 ( 0.877 -0.101 -0.153) 0.896 3.287 ( 0.058 0.246 0.199) 0.322 3.590 ( -0.561 0.030 0.007) 0.562 3.593 ( 0.125 0.051 0.028) 0.138 4.275 ( -0.587 0.134 -0.036) 0.603 4.282 ( -0.308 0.077 0.001) 0.317 4.391 ( -1.031 -0.111 -0.177) 1.052 4.451 ( 0.930 0.122 0.169) 0.953 4.706 ( -0.680 -0.205 -0.185) 0.734 4.772 ( -0.654 0.063 0.190) 0.684 6.063 ( 1.188 -0.433 -0.028) 1.265 6.080 ( 0.942 -0.364 -0.163) 1.023 6.110 ( -0.161 0.230 -0.070) 0.290 6.206 ( -1.200 0.600 0.324) 1.379 7.173 ( 0.065 -0.078 -0.140) 0.172 7.226 ( -1.285 0.040 0.154) 1.294 7.620 ( 0.265 -0.011 0.004) 0.265 7.627 ( 0.362 0.046 0.050) 0.369 12.056 ( 0.153 -0.360 -0.288) 0.486 12.068 ( -1.949 -0.668 -0.238) 2.074 12.161 ( -0.582 0.220 0.341) 0.710 12.241 ( 1.908 -0.239 0.767) 2.070 12.371 ( -0.111 4.125 -0.504) 4.157 12.458 ( -1.291 -3.048 -0.296) 3.323 12.610 ( 0.750 -0.089 -0.021) 0.755 12.625 ( 0.180 -0.017 0.033) 0.184 ======================= Grid point 247 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -0.000 6.975 8.774) 11.208 0.522 ( -0.000 10.234 6.215) 11.973 0.661 ( -0.000 8.051 10.591) 13.304 0.740 ( -0.000 7.532 -1.483) 7.677 0.829 ( -0.000 6.488 -8.662) 10.822 0.936 ( -0.000 14.339 8.228) 16.532 1.096 ( -0.000 3.188 -9.399) 9.925 1.175 ( -0.000 1.724 -2.788) 3.278 1.283 ( -0.000 0.220 3.034) 3.042 1.411 ( -0.000 1.191 -3.376) 3.580 1.700 ( 0.000 -1.729 3.691) 4.076 1.800 ( 0.000 -5.310 1.778) 5.600 1.937 ( 0.000 -3.697 -4.361) 5.717 1.957 ( 0.000 -0.617 -6.267) 6.297 2.008 ( -0.000 1.184 0.138) 1.192 2.056 ( -0.000 2.066 -4.105) 4.596 2.167 ( -0.000 2.941 4.117) 5.059 2.298 ( 0.000 -0.512 1.285) 1.383 2.300 ( 0.000 -2.610 -1.738) 3.135 2.349 ( -0.000 1.708 -2.202) 2.787 2.432 ( 0.000 -1.153 3.376) 3.567 2.449 ( 0.000 -0.740 3.934) 4.003 2.609 ( 0.000 -0.561 3.270) 3.318 2.740 ( 0.000 -2.169 -4.807) 5.273 4.278 ( 0.000 -2.068 0.348) 2.097 4.288 ( 0.000 -2.327 -0.038) 2.327 4.412 ( -0.000 0.542 0.086) 0.548 4.417 ( -0.000 0.299 -0.276) 0.407 4.483 ( -0.000 0.676 1.476) 1.623 4.532 ( 0.000 0.142 -1.201) 1.210 4.895 ( 0.000 -0.834 0.574) 1.012 4.931 ( 0.000 -1.954 -1.027) 2.208 5.904 ( 0.000 -1.464 1.423) 2.041 5.938 ( 0.000 -1.632 -0.547) 1.721 6.061 ( -0.000 0.936 0.129) 0.944 6.075 ( -0.000 0.948 -0.809) 1.246 7.254 ( -0.000 0.783 0.152) 0.798 7.255 ( -0.000 0.510 0.209) 0.551 7.501 ( -0.000 -0.003 0.065) 0.065 7.503 ( 0.000 -0.051 -0.053) 0.073 11.879 ( -0.000 2.062 1.657) 2.645 11.980 ( -0.000 2.596 -4.034) 4.797 12.133 ( -0.000 0.308 2.421) 2.440 12.240 ( -0.000 2.009 -2.975) 3.590 12.469 ( 0.000 -2.205 0.839) 2.359 12.492 ( 0.000 -0.426 -0.355) 0.554 12.629 ( -0.000 -0.031 0.454) 0.455 12.649 ( 0.000 -0.239 -0.536) 0.587 ======================= Grid point 248 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.561 4.810 4.336) 6.500 0.755 ( -7.592 7.522 3.284) 11.181 0.801 ( -3.082 5.876 7.182) 9.778 0.855 ( -5.097 4.972 -2.160) 7.441 0.960 ( -14.260 3.345 -2.913) 14.934 1.092 ( -2.476 4.471 -6.309) 8.119 1.127 ( -4.449 9.116 0.475) 10.155 1.266 ( -13.297 5.048 1.013) 14.259 1.314 ( -2.779 0.128 1.615) 3.216 1.464 ( -7.337 0.746 -1.117) 7.458 1.687 ( 1.909 -1.251 4.448) 4.999 1.761 ( 1.305 -3.494 0.927) 3.843 1.885 ( 1.154 -1.446 -6.766) 7.015 1.927 ( 0.732 -2.042 -0.852) 2.331 1.998 ( 1.084 0.679 -2.246) 2.585 2.053 ( 1.098 1.860 -2.134) 3.036 2.177 ( 1.917 -1.572 1.673) 2.991 2.273 ( -0.759 -0.155 1.463) 1.655 2.333 ( -2.509 0.634 -0.687) 2.678 2.381 ( -3.006 2.611 -1.201) 4.159 2.456 ( -0.860 -1.671 3.448) 3.927 2.470 ( -1.873 0.073 2.432) 3.070 2.576 ( 3.807 -1.723 1.132) 4.330 2.645 ( 5.418 -0.884 -2.346) 5.970 4.261 ( 0.060 -2.171 0.015) 2.172 4.274 ( -0.228 -1.945 0.047) 1.959 4.376 ( 4.181 0.225 -0.072) 4.187 4.392 ( 3.854 0.021 0.066) 3.854 4.478 ( 1.606 0.454 1.084) 1.990 4.516 ( 1.157 0.312 -0.919) 1.511 4.877 ( 1.666 -0.967 0.438) 1.975 4.900 ( 1.492 -1.557 -0.780) 2.293 5.907 ( -1.499 -0.726 0.280) 1.688 5.961 ( -3.342 -1.272 0.005) 3.576 6.062 ( -0.097 0.826 -0.277) 0.877 6.096 ( -1.346 0.431 0.085) 1.416 7.235 ( 1.142 0.116 -0.147) 1.158 7.273 ( 0.209 -0.253 0.034) 0.330 7.519 ( -1.862 0.238 0.074) 1.878 7.522 ( -2.194 0.102 -0.016) 2.196 11.924 ( -2.473 1.356 0.704) 2.907 12.006 ( -2.290 1.473 -2.665) 3.810 12.140 ( 0.532 -0.677 2.016) 2.192 12.235 ( 0.105 1.671 -2.567) 3.064 12.401 ( 3.696 0.127 1.181) 3.883 12.528 ( -1.550 -1.667 -0.454) 2.321 12.635 ( -0.292 -0.035 0.384) 0.484 12.648 ( -0.398 -0.006 -0.255) 0.472 ======================= Grid point 249 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 2.991 0.692 -1.984) 3.655 0.851 ( -1.049 3.276 -0.772) 3.525 0.908 ( -3.374 3.624 1.977) 5.332 0.969 ( -0.919 5.616 4.720) 7.393 1.089 ( -0.564 5.321 -2.679) 5.983 1.153 ( -4.055 3.895 -2.443) 6.130 1.293 ( -5.824 1.978 2.761) 6.742 1.352 ( -2.412 -0.593 -0.576) 2.549 1.598 ( -2.573 -0.538 3.703) 4.541 1.655 ( -8.094 -0.602 -1.621) 8.277 1.722 ( -10.001 0.669 1.621) 10.153 1.771 ( -11.252 -0.552 -1.364) 11.348 1.845 ( -4.312 2.450 -2.889) 5.740 1.871 ( 5.111 0.241 1.493) 5.330 1.992 ( -2.634 -0.945 -3.643) 4.593 2.022 ( 2.168 0.251 -0.328) 2.207 2.141 ( -1.333 -4.065 -0.064) 4.278 2.303 ( -1.891 -1.011 1.715) 2.745 2.376 ( -1.317 2.564 -1.797) 3.397 2.452 ( 1.309 -2.118 2.844) 3.780 2.478 ( -0.867 0.228 0.343) 0.960 2.481 ( -3.359 0.703 -0.557) 3.477 2.551 ( -3.251 0.682 1.085) 3.494 2.574 ( 1.204 1.047 -0.683) 1.735 4.248 ( 0.672 -1.361 -0.093) 1.521 4.265 ( 1.086 -0.915 -0.052) 1.421 4.270 ( 7.521 -0.306 -0.034) 7.528 4.285 ( 7.413 -0.410 0.202) 7.427 4.444 ( 2.378 -0.336 -0.165) 2.407 4.500 ( 1.126 0.757 0.099) 1.360 4.829 ( 2.943 -1.269 0.025) 3.205 4.856 ( 2.248 -0.790 -0.126) 2.386 5.947 ( -3.317 -0.074 -0.226) 3.325 6.022 ( -4.089 0.011 0.277) 4.098 6.074 ( -0.839 0.025 -0.230) 0.870 6.119 ( -1.019 -0.029 0.198) 1.038 7.218 ( 0.665 -0.398 0.071) 0.778 7.248 ( 1.780 -0.772 -0.261) 1.958 7.559 ( -2.257 0.468 0.005) 2.305 7.567 ( -2.391 0.247 0.078) 2.405 11.982 ( -3.261 0.224 0.043) 3.269 12.039 ( -1.694 -0.027 -0.983) 1.959 12.118 ( 0.732 -1.976 -0.148) 2.113 12.255 ( -0.748 3.143 -0.107) 3.232 12.358 ( 2.797 1.226 0.830) 3.165 12.516 ( 0.490 -2.255 -0.598) 2.384 12.636 ( 0.145 -0.058 0.044) 0.162 12.657 ( -0.110 0.159 0.206) 0.283 ======================= Grid point 250 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 3.234 -1.373 -2.569) 4.352 0.850 ( 0.872 0.075 -0.257) 0.913 1.012 ( -5.098 2.792 0.206) 5.817 1.022 ( -0.749 3.326 1.856) 3.882 1.107 ( 1.034 3.064 -1.419) 3.532 1.230 ( -1.986 2.904 0.435) 3.545 1.369 ( -2.412 -0.909 2.073) 3.307 1.380 ( -1.697 -0.718 -0.370) 1.879 1.561 ( 4.677 0.526 2.180) 5.187 1.596 ( 8.007 0.201 -0.993) 8.071 1.745 ( 3.726 0.532 0.074) 3.765 1.783 ( 2.032 -0.689 -1.852) 2.834 1.863 ( 2.178 1.815 -0.282) 2.849 1.993 ( -0.677 -1.784 -1.006) 2.157 2.038 ( -1.901 -0.651 0.050) 2.011 2.165 ( -3.009 -5.586 0.060) 6.345 2.207 ( -15.146 3.232 -0.349) 15.491 2.350 ( -6.378 -3.323 -0.247) 7.196 2.436 ( 1.990 -0.020 1.553) 2.525 2.440 ( -0.391 0.645 0.220) 0.786 2.505 ( -13.172 2.177 -0.828) 13.376 2.595 ( -7.483 0.342 -0.012) 7.491 2.622 ( -7.851 1.727 0.082) 8.039 2.674 ( -9.955 0.807 0.280) 9.991 4.078 ( 13.360 -0.108 -0.027) 13.361 4.091 ( 13.355 -0.102 0.050) 13.356 4.253 ( -0.768 -0.792 -0.051) 1.104 4.270 ( -0.431 -0.442 0.009) 0.617 4.404 ( 1.590 -0.468 -0.270) 1.679 4.486 ( 1.276 0.648 0.195) 1.444 4.767 ( 3.016 -1.144 -0.082) 3.227 4.812 ( 2.315 -0.369 0.093) 2.346 6.007 ( -3.485 0.297 -0.212) 3.504 6.082 ( -0.470 0.190 -0.103) 0.517 6.099 ( -3.979 0.155 0.263) 3.990 6.129 ( -0.172 -0.321 0.069) 0.371 7.207 ( 0.870 -0.407 0.610) 1.138 7.212 ( 0.901 -0.668 -0.671) 1.307 7.598 ( -1.773 0.445 0.011) 1.828 7.601 ( -1.385 0.197 0.026) 1.399 12.027 ( -2.166 -1.316 -0.075) 2.536 12.056 ( -0.881 -0.583 -0.303) 1.099 12.108 ( -1.260 -0.833 -0.192) 1.523 12.295 ( -0.363 3.992 0.880) 4.104 12.323 ( 2.490 1.088 -0.245) 2.729 12.486 ( 0.374 -2.820 -0.418) 2.875 12.632 ( 0.235 0.032 -0.001) 0.237 12.650 ( 1.012 0.095 0.105) 1.022 ======================= Grid point 251 (107/171) ======================= q-point: (-0.10 -0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 1.427 -3.440 -0.000) 3.724 0.858 ( -2.459 -0.254 -0.000) 2.473 1.075 ( 2.876 1.026 0.000) 3.053 1.093 ( -5.166 2.121 -0.000) 5.585 1.123 ( -5.119 0.816 -0.000) 5.184 1.261 ( 0.484 1.829 0.000) 1.892 1.372 ( 2.143 -0.492 0.000) 2.199 1.392 ( 6.494 -0.168 0.000) 6.497 1.438 ( 2.445 -1.631 -0.000) 2.939 1.492 ( 4.130 0.673 0.000) 4.185 1.636 ( 7.253 1.159 0.000) 7.345 1.808 ( -3.991 -0.860 -0.000) 4.082 1.818 ( 3.352 1.664 0.000) 3.742 1.991 ( -0.615 -0.739 -0.000) 0.961 2.052 ( -1.430 -2.043 -0.000) 2.494 2.140 ( 0.734 -2.391 -0.000) 2.501 2.314 ( -1.458 1.170 0.000) 1.869 2.400 ( 1.703 0.713 0.000) 1.846 2.429 ( -1.711 -1.450 -0.000) 2.243 2.446 ( 0.204 0.773 0.000) 0.800 2.671 ( -4.013 0.101 -0.000) 4.014 2.696 ( -3.612 0.378 -0.000) 3.632 2.938 ( -23.649 0.149 -0.000) 23.649 2.992 ( -23.133 0.652 -0.000) 23.143 3.814 ( 17.129 -0.070 0.000) 17.129 3.828 ( 17.110 0.022 0.000) 17.110 4.263 ( -0.776 -0.112 -0.000) 0.784 4.276 ( -0.408 -0.021 -0.000) 0.409 4.384 ( 0.232 -0.316 -0.000) 0.392 4.468 ( 1.196 0.385 0.000) 1.256 4.717 ( 1.657 -0.701 0.000) 1.799 4.778 ( 1.290 -0.099 0.000) 1.294 6.061 ( -2.436 0.253 -0.000) 2.449 6.080 ( 0.345 -0.559 -0.000) 0.657 6.121 ( 0.798 -0.317 0.000) 0.859 6.165 ( -2.923 0.899 -0.000) 3.058 7.183 ( 0.939 -0.307 0.000) 0.988 7.211 ( -0.560 -0.203 -0.000) 0.596 7.618 ( -0.473 0.073 -0.000) 0.479 7.623 ( -0.788 0.245 -0.000) 0.825 12.045 ( -1.612 -1.478 -0.000) 2.187 12.059 ( -0.235 -0.635 -0.000) 0.677 12.138 ( -1.913 0.154 -0.000) 1.919 12.281 ( 2.410 0.024 0.000) 2.410 12.336 ( -0.001 4.894 0.000) 4.894 12.464 ( -0.634 -3.324 -0.000) 3.384 12.628 ( 0.250 0.032 0.000) 0.252 12.629 ( 1.333 -0.025 0.000) 1.333 ======================= Grid point 259 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.000 9.135 6.679) 11.316 0.590 ( -0.000 5.831 9.234) 10.921 0.682 ( -0.000 8.385 -4.360) 9.451 0.751 ( 0.000 5.686 -9.308) 10.907 0.792 ( -0.000 5.256 12.302) 13.378 1.005 ( -0.000 4.160 -11.523) 12.251 1.011 ( 0.000 12.159 8.870) 15.051 1.139 ( 0.000 4.726 -5.449) 7.212 1.314 ( -0.000 0.546 3.875) 3.913 1.380 ( -0.000 1.128 -3.727) 3.894 1.736 ( -0.000 -1.184 4.640) 4.789 1.805 ( -0.000 -3.390 -1.256) 3.615 1.908 ( 0.000 -4.395 -2.483) 5.048 1.909 ( -0.000 -2.037 -4.058) 4.541 2.010 ( 0.000 1.358 0.500) 1.448 2.030 ( 0.000 1.857 -2.147) 2.838 2.204 ( 0.000 2.426 4.502) 5.114 2.277 ( -0.000 -0.263 -3.572) 3.581 2.310 ( -0.000 -0.705 1.372) 1.543 2.333 ( -0.000 0.280 -1.560) 1.585 2.457 ( -0.000 -0.341 2.381) 2.406 2.471 ( 0.000 -0.106 1.248) 1.252 2.637 ( -0.000 -1.468 3.418) 3.720 2.701 ( 0.000 -2.189 -4.262) 4.792 4.281 ( 0.000 -2.116 0.387) 2.151 4.287 ( 0.000 -2.256 -0.247) 2.270 4.413 ( 0.000 0.506 0.116) 0.519 4.415 ( -0.000 0.369 -0.168) 0.405 4.496 ( 0.000 0.614 1.485) 1.607 4.521 ( 0.000 0.314 -1.401) 1.436 4.902 ( -0.000 -1.177 0.957) 1.517 4.921 ( -0.000 -1.757 -1.178) 2.115 5.916 ( -0.000 -1.689 1.240) 2.096 5.933 ( -0.000 -1.714 -0.765) 1.877 6.062 ( -0.000 0.973 0.233) 1.001 6.069 ( 0.000 1.029 -0.596) 1.189 7.255 ( 0.000 0.742 0.146) 0.756 7.256 ( 0.000 0.605 0.036) 0.606 7.501 ( -0.000 -0.040 0.073) 0.083 7.502 ( -0.000 -0.065 -0.065) 0.092 11.896 ( -0.000 2.230 2.297) 3.201 11.947 ( -0.000 2.560 -3.635) 4.446 12.156 ( -0.000 0.615 3.070) 3.131 12.213 ( -0.000 1.404 -3.303) 3.589 12.476 ( -0.000 -1.533 0.802) 1.730 12.488 ( -0.000 -0.646 -0.542) 0.843 12.634 ( -0.000 -0.049 0.553) 0.555 12.644 ( -0.000 -0.159 -0.604) 0.624 ======================= Grid point 260 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 2.080 2.407 2.901) 4.305 0.755 ( -3.862 7.356 -1.889) 8.520 0.828 ( -7.141 4.017 1.539) 8.336 0.883 ( -9.026 6.855 3.332) 11.814 0.954 ( -10.234 3.475 3.755) 11.442 1.019 ( -3.928 3.903 -9.179) 10.720 1.141 ( -3.848 9.693 1.141) 10.491 1.271 ( -14.335 5.772 0.278) 15.456 1.324 ( -1.364 0.005 0.674) 1.521 1.456 ( -8.615 1.049 -0.528) 8.694 1.727 ( 2.149 -1.219 4.271) 4.934 1.761 ( 1.802 -1.740 -1.040) 2.712 1.835 ( 1.865 -1.560 -3.971) 4.656 1.928 ( -2.833 -3.180 0.577) 4.298 1.978 ( 3.672 1.045 -1.671) 4.168 2.042 ( 0.712 1.950 -0.490) 2.133 2.187 ( 2.864 -2.591 0.717) 3.928 2.286 ( -2.006 -0.387 1.178) 2.359 2.324 ( -1.212 2.643 -1.096) 3.107 2.375 ( -3.842 2.041 -0.359) 4.365 2.475 ( -0.962 -1.281 1.227) 2.018 2.485 ( -1.454 0.349 0.942) 1.767 2.583 ( 5.023 -2.599 0.438) 5.673 2.629 ( 3.837 -1.012 -1.002) 4.092 4.261 ( 0.154 -2.222 0.017) 2.227 4.274 ( -0.240 -1.891 0.001) 1.907 4.376 ( 4.181 0.230 -0.022) 4.188 4.393 ( 3.798 0.059 0.024) 3.799 4.486 ( 2.062 0.023 0.635) 2.158 4.509 ( 0.760 0.718 -0.579) 1.196 4.881 ( 1.803 -1.347 0.400) 2.285 4.893 ( 1.306 -1.191 -0.522) 1.843 5.909 ( -1.271 -0.884 0.103) 1.552 5.961 ( -3.507 -1.272 0.002) 3.730 6.060 ( -0.056 0.819 -0.099) 0.827 6.096 ( -1.507 0.413 0.028) 1.563 7.234 ( 1.153 0.088 -0.052) 1.157 7.273 ( 0.381 -0.117 0.010) 0.399 7.520 ( -1.814 0.212 0.040) 1.827 7.522 ( -2.285 0.113 -0.020) 2.288 11.930 ( -1.700 1.686 0.446) 2.435 11.989 ( -3.013 1.427 -1.155) 3.529 12.155 ( 1.497 -1.169 1.164) 2.228 12.218 ( -0.943 1.961 -1.342) 2.556 12.408 ( 3.636 0.334 0.408) 3.674 12.525 ( -1.402 -1.626 -0.168) 2.154 12.638 ( -0.053 -0.109 0.190) 0.225 12.646 ( -0.721 0.130 -0.149) 0.747 ======================= Grid point 261 (110/171) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 3.745 -0.037 0.000) 3.745 0.847 ( -1.521 3.506 0.000) 3.822 0.917 ( -2.434 3.139 0.000) 3.972 0.995 ( 0.084 5.887 0.000) 5.888 1.073 ( -1.406 4.664 0.000) 4.871 1.142 ( -5.069 4.726 0.000) 6.930 1.306 ( -6.337 2.341 -0.000) 6.755 1.348 ( -2.153 -0.901 -0.000) 2.334 1.622 ( -0.478 0.981 0.000) 1.091 1.641 ( -12.485 -2.043 -0.000) 12.651 1.734 ( -1.949 -0.216 -0.000) 1.961 1.756 ( -12.125 -0.355 -0.000) 12.131 1.831 ( -9.269 2.923 -0.000) 9.719 1.886 ( 6.534 1.832 0.000) 6.786 1.970 ( -3.510 -2.191 -0.000) 4.137 2.022 ( 1.898 0.459 0.000) 1.953 2.141 ( -1.246 -4.113 -0.000) 4.298 2.312 ( -1.967 -2.071 -0.000) 2.857 2.367 ( -0.794 3.882 0.000) 3.962 2.466 ( 2.707 -2.001 -0.000) 3.366 2.476 ( -0.632 -1.996 -0.000) 2.093 2.481 ( -5.206 2.403 -0.000) 5.734 2.557 ( -4.057 0.830 -0.000) 4.141 2.569 ( 1.964 0.902 0.000) 2.161 4.247 ( 0.668 -1.375 -0.000) 1.529 4.265 ( 1.173 -0.887 -0.000) 1.470 4.270 ( 7.539 -0.306 0.000) 7.546 4.286 ( 7.325 -0.422 0.000) 7.337 4.443 ( 2.506 -0.439 0.000) 2.544 4.500 ( 1.025 0.840 0.000) 1.326 4.829 ( 2.970 -1.383 0.000) 3.276 4.856 ( 2.187 -0.665 0.000) 2.286 5.946 ( -3.269 -0.131 -0.000) 3.271 6.023 ( -4.143 0.026 -0.000) 4.143 6.073 ( -0.852 -0.003 -0.000) 0.852 6.120 ( -1.021 -0.022 -0.000) 1.021 7.218 ( 0.528 -0.482 -0.000) 0.715 7.247 ( 1.925 -0.655 0.000) 2.034 7.559 ( -2.252 0.469 -0.000) 2.301 7.567 ( -2.397 0.246 -0.000) 2.409 11.983 ( -3.169 0.290 -0.000) 3.182 12.035 ( -1.871 0.066 -0.000) 1.872 12.118 ( 0.934 -2.206 -0.000) 2.396 12.254 ( -1.002 3.403 0.000) 3.548 12.362 ( 2.827 1.145 0.000) 3.050 12.514 ( 0.555 -2.259 -0.000) 2.326 12.636 ( 0.164 -0.062 0.000) 0.175 12.657 ( -0.142 0.165 0.000) 0.218 ======================= Grid point 267 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.083 -0.000 5.927) 6.025 0.845 ( 8.987 0.000 -5.017) 10.293 0.923 ( 3.104 0.000 1.730) 3.554 1.013 ( -3.377 -0.000 -1.922) 3.886 1.105 ( 8.466 0.000 1.236) 8.555 1.148 ( 9.352 0.000 -1.824) 9.528 1.356 ( -4.191 -0.000 2.576) 4.919 1.385 ( -2.977 -0.000 1.034) 3.152 1.470 ( -0.649 -0.000 3.867) 3.921 1.534 ( -7.356 -0.000 0.280) 7.362 1.682 ( -7.257 -0.000 0.729) 7.293 1.736 ( -1.472 -0.000 -2.333) 2.758 1.943 ( -1.999 -0.000 -2.261) 3.018 1.967 ( 0.778 0.000 -4.050) 4.124 2.131 ( 2.669 0.000 3.433) 4.348 2.147 ( -1.646 -0.000 3.387) 3.765 2.345 ( 2.161 0.000 -2.598) 3.379 2.347 ( 0.320 0.000 -0.860) 0.918 2.404 ( -1.204 -0.000 2.301) 2.597 2.462 ( -0.338 -0.000 0.140) 0.366 2.623 ( 6.342 0.000 1.538) 6.526 2.670 ( 4.920 0.000 -0.787) 4.983 2.928 ( 24.868 0.000 0.987) 24.887 2.972 ( 24.296 0.000 -1.139) 24.323 3.823 ( -17.316 -0.000 0.094) 17.316 3.826 ( -17.212 -0.000 -0.083) 17.212 4.286 ( -0.447 -0.000 0.078) 0.454 4.287 ( -0.299 -0.000 0.005) 0.299 4.420 ( -1.447 -0.000 0.298) 1.478 4.434 ( 0.058 0.000 -0.374) 0.379 4.749 ( -2.641 -0.000 0.984) 2.818 4.787 ( -2.588 -0.000 -0.985) 2.769 6.037 ( 1.932 0.000 0.209) 1.943 6.045 ( 2.431 0.000 -0.073) 2.432 6.130 ( 0.229 -0.000 1.461) 1.479 6.192 ( 0.513 0.000 -1.571) 1.652 7.193 ( -0.851 -0.000 1.076) 1.372 7.238 ( -1.669 -0.000 -1.219) 2.066 7.608 ( 1.063 0.000 -0.047) 1.064 7.610 ( 1.293 0.000 -0.146) 1.302 12.072 ( 0.597 0.000 1.770) 1.868 12.109 ( -1.712 -0.000 0.566) 1.803 12.143 ( 0.556 0.000 -0.909) 1.065 12.167 ( 1.523 0.000 -2.926) 3.299 12.427 ( -0.744 -0.000 1.793) 1.941 12.469 ( -0.679 -0.000 -0.143) 0.694 12.607 ( -0.127 -0.000 0.218) 0.252 12.619 ( 0.028 0.000 -0.309) 0.310 ======================= Grid point 271 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.000 8.433 -6.208) 10.472 0.634 ( -0.000 8.433 6.208) 10.472 0.671 ( -0.000 5.364 -9.405) 10.827 0.671 ( -0.000 5.364 9.405) 10.827 0.901 ( -0.000 4.835 -12.668) 13.560 0.901 ( -0.000 4.835 12.668) 13.560 1.083 ( -0.000 8.502 -7.623) 11.419 1.083 ( -0.000 8.502 7.623) 11.419 1.347 ( -0.000 0.854 -3.776) 3.871 1.347 ( -0.000 0.854 3.776) 3.871 1.777 ( 0.000 -1.255 -4.665) 4.831 1.777 ( 0.000 -1.255 4.665) 4.831 1.895 ( 0.000 -4.154 -0.134) 4.156 1.895 ( 0.000 -4.154 0.134) 4.156 2.017 ( -0.000 1.576 -1.003) 1.867 2.017 ( -0.000 1.576 1.003) 1.867 2.242 ( -0.000 1.491 -4.373) 4.620 2.242 ( -0.000 1.491 4.373) 4.620 2.321 ( 0.000 -0.590 -1.182) 1.321 2.321 ( 0.000 -0.590 1.182) 1.321 2.472 ( 0.000 0.116 -0.959) 0.966 2.472 ( -0.000 0.116 0.959) 0.966 2.667 ( 0.000 -2.060 -3.655) 4.196 2.667 ( 0.000 -2.060 3.655) 4.196 4.284 ( 0.000 -2.179 -0.340) 2.206 4.284 ( 0.000 -2.179 0.340) 2.206 4.414 ( -0.000 0.445 -0.069) 0.450 4.414 ( -0.000 0.445 0.069) 0.450 4.508 ( -0.000 0.485 -1.480) 1.557 4.508 ( -0.000 0.485 1.480) 1.557 4.911 ( 0.000 -1.496 -1.162) 1.894 4.911 ( 0.000 -1.496 1.162) 1.894 5.925 ( 0.000 -1.751 -0.845) 1.944 5.925 ( 0.000 -1.751 0.845) 1.944 6.065 ( -0.000 1.016 -0.250) 1.046 6.065 ( -0.000 1.016 0.250) 1.046 7.256 ( -0.000 0.684 -0.013) 0.685 7.256 ( -0.000 0.684 0.013) 0.685 7.502 ( 0.000 -0.063 -0.070) 0.094 7.502 ( 0.000 -0.063 0.070) 0.094 11.919 ( -0.000 2.412 -2.892) 3.766 11.919 ( -0.000 2.412 2.892) 3.766 12.184 ( -0.000 0.946 -3.316) 3.448 12.184 ( -0.000 0.946 3.316) 3.448 12.482 ( 0.000 -1.009 -0.304) 1.054 12.482 ( 0.000 -1.009 0.304) 1.054 12.639 ( 0.000 -0.092 -0.606) 0.613 12.639 ( 0.000 -0.092 0.606) 0.613 ======================= Grid point 278 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.304 -0.608 11.042) 11.135 0.917 ( 2.067 5.560 -2.532) 6.449 0.949 ( -0.668 -1.611 -4.874) 5.177 1.000 ( 3.935 -4.725 -2.692) 6.712 1.230 ( 2.505 0.636 2.300) 3.460 1.246 ( -0.892 0.024 1.446) 1.699 1.308 ( -3.959 0.351 -0.365) 3.992 1.335 ( 4.634 0.505 -0.733) 4.719 1.431 ( -3.747 1.356 -1.723) 4.342 1.454 ( -1.521 -1.009 -0.462) 1.882 1.631 ( 0.353 0.253 5.724) 5.741 1.737 ( 2.151 0.341 -1.448) 2.615 1.909 ( -0.605 0.455 -0.137) 0.769 1.964 ( 0.072 -1.269 -3.191) 3.435 2.131 ( -1.365 0.583 3.778) 4.059 2.174 ( 0.749 -1.038 2.790) 3.070 2.346 ( 0.457 0.823 -2.101) 2.302 2.357 ( 0.891 1.027 -1.794) 2.251 2.394 ( -1.110 -0.658 2.192) 2.544 2.448 ( -1.151 -0.622 -0.966) 1.627 2.701 ( 1.718 0.005 0.926) 1.951 2.722 ( 1.140 -0.175 -0.360) 1.208 3.238 ( 0.664 0.056 0.976) 1.181 3.269 ( 0.273 0.043 -1.096) 1.130 3.589 ( -0.428 0.025 0.008) 0.429 3.591 ( -0.142 0.022 -0.100) 0.175 4.278 ( -0.497 0.216 0.129) 0.558 4.282 ( -0.349 0.031 -0.036) 0.352 4.407 ( -0.329 0.117 0.957) 1.018 4.436 ( 0.447 -0.101 -0.934) 1.041 4.723 ( -0.726 0.025 1.024) 1.255 4.754 ( -0.698 -0.172 -1.038) 1.263 6.067 ( 1.390 0.068 0.279) 1.419 6.082 ( 1.602 -0.835 -0.225) 1.820 6.128 ( -1.131 0.316 1.590) 1.977 6.176 ( -1.208 0.423 -1.809) 2.216 7.186 ( -0.295 0.140 0.773) 0.839 7.212 ( -0.832 -0.192 -0.811) 1.178 7.620 ( 0.305 -0.018 0.054) 0.311 7.623 ( 0.354 0.002 -0.196) 0.405 12.078 ( -0.835 0.407 1.006) 1.369 12.092 ( -1.011 -1.384 1.316) 2.161 12.140 ( 0.017 0.457 -0.550) 0.715 12.184 ( 1.466 -0.445 -2.896) 3.276 12.404 ( -0.362 4.424 1.304) 4.626 12.473 ( -0.697 -3.258 0.384) 3.354 12.613 ( 0.614 0.005 0.234) 0.657 12.621 ( 0.314 -0.092 -0.261) 0.419 ======================= Grid point 279 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 1.769 0.000 6.253) 6.498 0.798 ( 6.614 -0.000 -5.774) 8.780 0.942 ( 1.224 0.000 2.631) 2.902 0.993 ( -2.033 -0.000 -2.861) 3.510 1.116 ( 8.667 -0.000 1.254) 8.757 1.136 ( 9.369 0.000 -1.168) 9.441 1.377 ( -3.946 -0.000 2.135) 4.486 1.391 ( -3.275 0.000 0.424) 3.303 1.495 ( -2.668 -0.000 2.211) 3.465 1.528 ( -6.550 0.000 -1.482) 6.716 1.696 ( -5.510 -0.000 2.292) 5.968 1.723 ( -1.775 0.000 -0.912) 1.996 1.924 ( -1.087 0.000 -1.721) 2.036 1.936 ( 0.678 -0.000 -3.100) 3.173 2.158 ( 2.277 -0.000 2.716) 3.544 2.170 ( -0.411 0.000 1.771) 1.818 2.327 ( 1.595 0.000 -1.304) 2.060 2.335 ( 0.117 -0.000 -1.593) 1.598 2.426 ( -0.997 -0.000 2.666) 2.846 2.459 ( -0.672 0.000 -0.929) 1.147 2.637 ( 5.975 0.000 1.629) 6.193 2.662 ( 5.247 -0.000 -1.177) 5.377 2.938 ( 24.691 -0.000 1.248) 24.722 2.961 ( 24.376 0.000 -1.336) 24.412 3.824 ( -17.313 -0.000 0.111) 17.313 3.825 ( -17.259 -0.000 -0.104) 17.259 4.287 ( -0.408 0.000 0.063) 0.412 4.287 ( -0.328 -0.000 -0.012) 0.328 4.423 ( -1.087 -0.000 0.384) 1.152 4.430 ( -0.299 0.000 -0.428) 0.522 4.758 ( -2.618 0.000 1.153) 2.861 4.778 ( -2.590 -0.000 -1.154) 2.835 6.039 ( 2.022 0.000 0.253) 2.038 6.043 ( 2.285 -0.000 -0.193) 2.293 6.144 ( 0.242 -0.000 1.811) 1.827 6.177 ( 0.396 0.000 -1.855) 1.897 7.203 ( -1.014 0.000 1.306) 1.653 7.227 ( -1.443 -0.000 -1.394) 2.006 7.608 ( 1.118 0.000 -0.004) 1.118 7.609 ( 1.240 -0.000 -0.115) 1.245 12.089 ( 0.523 0.000 2.212) 2.273 12.113 ( -1.532 -0.000 0.343) 1.570 12.135 ( 0.343 -0.000 -0.839) 0.907 12.143 ( 1.717 0.000 -2.594) 3.111 12.442 ( -0.595 0.000 1.734) 1.833 12.465 ( -0.575 -0.000 -0.771) 0.961 12.609 ( -0.070 0.000 0.340) 0.347 12.616 ( 0.008 -0.000 -0.386) 0.386 ======================= Grid point 289 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 1.092 0.571 10.381) 10.454 0.877 ( -0.373 2.952 -0.000) 2.975 0.945 ( 0.549 -0.946 -4.449) 4.581 1.075 ( 0.144 -3.322 -3.793) 5.044 1.157 ( -2.302 3.870 1.353) 4.701 1.225 ( -3.348 0.528 3.436) 4.826 1.282 ( -0.470 0.080 -3.155) 3.191 1.318 ( -2.663 -1.228 -4.689) 5.530 1.454 ( 5.894 2.494 0.399) 6.412 1.502 ( 4.873 -0.327 -0.579) 4.918 1.696 ( 3.888 0.422 5.541) 6.782 1.776 ( 3.754 0.764 -2.570) 4.613 1.920 ( 0.506 -1.148 2.367) 2.679 1.966 ( 0.793 -1.766 -2.646) 3.279 2.129 ( -0.198 0.753 4.165) 4.238 2.200 ( -0.224 -1.669 0.982) 1.950 2.324 ( -0.739 2.944 -1.058) 3.214 2.348 ( -0.626 0.458 -1.381) 1.583 2.395 ( -0.677 -1.597 0.498) 1.804 2.426 ( -1.623 -1.135 -1.293) 2.365 2.681 ( -3.623 1.436 0.289) 3.908 2.709 ( -2.780 -0.150 0.233) 2.793 2.951 ( -23.934 0.277 0.783) 23.948 2.968 ( -23.977 0.325 -1.052) 24.002 3.817 ( 17.163 -0.022 0.206) 17.164 3.822 ( 17.139 -0.047 -0.250) 17.141 4.267 ( -0.648 0.107 0.115) 0.667 4.275 ( -0.491 -0.190 -0.034) 0.528 4.416 ( 0.745 -0.022 1.478) 1.655 4.442 ( 0.860 0.092 -1.365) 1.616 4.734 ( 1.518 -0.046 0.668) 1.659 4.760 ( 1.389 -0.751 -0.717) 1.734 6.081 ( -0.375 0.372 0.636) 0.827 6.103 ( -1.688 0.228 1.239) 2.106 6.105 ( 0.371 -0.275 -0.485) 0.669 6.133 ( -2.393 -0.114 -1.490) 2.822 7.186 ( 0.290 0.382 0.075) 0.486 7.209 ( 0.246 -0.943 -0.044) 0.975 7.618 ( -0.585 0.128 0.012) 0.599 7.620 ( -0.661 0.104 -0.089) 0.675 12.064 ( -1.278 -0.713 1.015) 1.781 12.081 ( -1.611 -0.761 -0.420) 1.831 12.146 ( 0.441 -0.187 2.127) 2.181 12.196 ( 1.169 -0.342 -3.370) 3.583 12.368 ( -0.233 4.820 0.643) 4.869 12.491 ( -0.147 -3.058 0.557) 3.111 12.626 ( 0.892 0.194 -0.037) 0.913 12.628 ( 0.494 0.015 -0.060) 0.498 ======================= Grid point 290 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 3.053 0.457 10.520) 10.964 0.863 ( 5.153 2.575 -8.951) 10.645 0.929 ( -2.724 0.547 -0.607) 2.844 0.988 ( 1.522 -4.879 -0.536) 5.139 1.248 ( 4.078 0.870 1.443) 4.413 1.256 ( 2.473 0.196 0.658) 2.567 1.303 ( -4.341 1.317 -0.594) 4.575 1.328 ( -2.376 -1.187 -0.680) 2.741 1.421 ( -3.002 2.254 -0.626) 3.806 1.450 ( -1.175 -1.343 -0.352) 1.819 1.679 ( 1.296 0.878 4.738) 4.990 1.720 ( 1.569 -0.213 -2.662) 3.098 1.911 ( 0.715 0.771 0.606) 1.213 1.940 ( -0.010 -1.597 -2.128) 2.661 2.156 ( -0.425 1.796 1.684) 2.498 2.192 ( -0.156 -2.369 1.217) 2.668 2.331 ( 1.018 1.904 -1.155) 2.448 2.345 ( 0.513 -0.104 -0.825) 0.977 2.413 ( -1.425 0.131 1.809) 2.307 2.437 ( -1.391 -1.101 -1.241) 2.165 2.708 ( 1.383 0.264 0.669) 1.559 2.718 ( 1.494 -0.380 -0.456) 1.608 3.247 ( 0.533 0.274 0.972) 1.142 3.259 ( 0.403 -0.185 -1.018) 1.110 3.589 ( -0.319 0.036 0.030) 0.323 3.590 ( -0.282 0.003 -0.065) 0.290 4.279 ( -0.464 0.276 0.063) 0.543 4.281 ( -0.371 -0.019 -0.027) 0.372 4.415 ( 0.074 0.421 0.795) 0.903 4.428 ( 0.095 -0.404 -0.787) 0.889 4.731 ( -0.741 0.339 0.878) 1.198 4.745 ( -0.705 -0.487 -0.883) 1.230 6.069 ( 1.502 0.292 0.164) 1.539 6.080 ( 1.514 -1.005 -0.165) 1.825 6.143 ( -1.197 0.335 1.899) 2.270 6.160 ( -1.195 0.337 -1.961) 2.321 7.193 ( -0.542 0.446 0.605) 0.927 7.205 ( -0.564 -0.501 -0.620) 0.976 7.621 ( 0.318 -0.008 0.102) 0.334 7.622 ( 0.350 -0.020 -0.157) 0.384 12.085 ( -0.973 0.492 0.524) 1.210 12.100 ( -1.403 -1.281 0.434) 1.949 12.141 ( 0.874 0.334 0.898) 1.297 12.161 ( 1.189 -0.496 -2.261) 2.602 12.412 ( -0.461 4.671 0.514) 4.722 12.475 ( -0.531 -3.474 0.105) 3.516 12.615 ( 0.517 0.079 0.228) 0.570 12.619 ( 0.403 -0.165 -0.237) 0.495 ======================= Grid point 291 (117/171) ======================= q-point: ( 0.50 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.337 -0.824 0.000) 4.415 0.747 ( 4.337 0.824 0.000) 4.415 0.967 ( -0.508 -0.463 0.000) 0.687 0.967 ( -0.508 0.463 0.000) 0.687 1.126 ( 8.990 -0.373 0.000) 8.997 1.126 ( 8.990 0.373 0.000) 8.997 1.390 ( -3.528 -0.049 -0.000) 3.529 1.390 ( -3.528 0.049 -0.000) 3.529 1.512 ( -4.974 -0.020 0.000) 4.974 1.512 ( -4.974 0.020 0.000) 4.974 1.714 ( -3.353 -1.371 -0.000) 3.623 1.714 ( -3.353 1.371 0.000) 3.623 1.919 ( -0.027 -2.731 -0.000) 2.731 1.919 ( -0.027 2.731 0.000) 2.731 2.174 ( 1.204 -1.831 -0.000) 2.191 2.174 ( 1.204 1.831 0.000) 2.191 2.324 ( 0.629 -2.031 -0.000) 2.126 2.324 ( 0.629 2.031 0.000) 2.126 2.446 ( -0.876 -0.212 0.000) 0.901 2.446 ( -0.876 0.212 0.000) 0.901 2.650 ( 5.606 -0.003 0.000) 5.606 2.650 ( 5.606 0.003 0.000) 5.606 2.949 ( 24.513 -0.037 0.000) 24.513 2.949 ( 24.513 0.037 0.000) 24.513 3.825 ( -17.294 -0.123 -0.000) 17.294 3.825 ( -17.294 0.123 -0.000) 17.294 4.287 ( -0.366 -0.068 -0.000) 0.372 4.287 ( -0.366 0.068 -0.000) 0.372 4.427 ( -0.692 -0.706 -0.000) 0.989 4.427 ( -0.692 0.706 0.000) 0.989 4.768 ( -2.600 -0.160 0.000) 2.605 4.768 ( -2.600 0.160 0.000) 2.605 6.042 ( 2.142 -0.737 0.000) 2.266 6.042 ( 2.142 0.737 0.000) 2.266 6.160 ( 0.300 -0.002 0.000) 0.300 6.160 ( 0.300 0.002 0.000) 0.300 7.214 ( -1.216 -0.076 0.000) 1.218 7.214 ( -1.216 0.076 0.000) 1.218 7.608 ( 1.179 -0.056 0.000) 1.180 7.608 ( 1.179 0.056 0.000) 1.180 12.108 ( -0.301 -0.865 0.000) 0.915 12.108 ( -0.301 0.865 0.000) 0.915 12.131 ( 0.844 -1.032 -0.000) 1.334 12.131 ( 0.844 1.032 0.000) 1.334 12.456 ( -0.538 -4.051 -0.000) 4.087 12.456 ( -0.538 4.051 0.000) 4.087 12.612 ( -0.024 -0.056 0.000) 0.061 12.612 ( -0.024 0.056 0.000) 0.061 ======================= Grid point 300 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -1.260 3.016 4.674) 5.704 0.859 ( 1.860 5.118 -1.983) 5.795 0.944 ( -4.561 1.248 2.444) 5.323 0.972 ( -3.232 0.508 -2.913) 4.380 1.158 ( -2.698 1.622 -0.514) 3.189 1.195 ( 4.031 1.885 0.402) 4.468 1.246 ( -1.780 0.993 -1.755) 2.690 1.321 ( 1.079 -2.976 -0.996) 3.319 1.522 ( 3.607 2.310 0.611) 4.327 1.572 ( 3.610 -0.775 -1.367) 3.937 1.796 ( 5.337 -0.089 3.858) 6.586 1.830 ( 3.873 0.592 -2.512) 4.654 1.922 ( -2.370 -1.984 0.016) 3.090 2.023 ( 4.112 -2.478 0.282) 4.810 2.112 ( -11.948 -0.746 2.795) 12.293 2.157 ( -2.576 1.633 -0.334) 3.068 2.257 ( -6.060 2.008 0.843) 6.439 2.302 ( -3.208 -0.742 -2.514) 4.143 2.373 ( -6.587 -3.596 0.435) 7.517 2.404 ( -1.123 -1.181 -0.784) 1.808 2.556 ( -7.981 3.597 0.720) 8.784 2.602 ( -10.911 1.079 0.356) 10.970 2.605 ( -10.145 1.435 -0.574) 10.262 2.645 ( -6.770 0.276 -0.458) 6.791 4.083 ( 13.360 -0.096 0.209) 13.362 4.085 ( 13.312 -0.100 -0.232) 13.314 4.257 ( -0.615 -0.507 0.072) 0.800 4.268 ( -0.624 -0.682 -0.031) 0.924 4.439 ( 0.976 0.227 1.079) 1.472 4.457 ( 1.861 0.010 -1.006) 2.116 4.776 ( 2.858 -0.243 0.155) 2.872 4.802 ( 2.659 -1.319 -0.165) 2.972 6.035 ( -3.851 0.950 0.644) 4.018 6.066 ( -3.040 0.685 -0.684) 3.190 6.096 ( -0.210 0.190 0.224) 0.361 6.119 ( -0.788 -1.320 -0.201) 1.550 7.194 ( 1.017 0.230 -0.074) 1.045 7.230 ( 0.953 -1.431 0.138) 1.725 7.597 ( -1.597 0.295 0.007) 1.624 7.599 ( -1.623 0.287 -0.045) 1.649 12.036 ( -2.895 -0.377 0.137) 2.923 12.068 ( -0.594 -1.689 0.000) 1.791 12.161 ( -0.470 0.515 1.997) 2.116 12.208 ( 1.783 -1.137 -2.214) 3.062 12.336 ( 0.499 4.625 0.128) 4.653 12.517 ( 0.326 -2.780 0.343) 2.820 12.633 ( 0.191 0.249 0.001) 0.314 12.640 ( 0.824 0.200 -0.142) 0.860 ======================= Grid point 301 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.323 0.996 0.000) 1.047 0.870 ( 1.425 6.804 0.000) 6.952 0.920 ( 1.160 -4.712 -0.000) 4.853 1.057 ( -0.060 -4.103 -0.000) 4.103 1.164 ( -3.131 4.593 0.000) 5.559 1.246 ( -4.513 1.655 -0.000) 4.807 1.267 ( -0.540 -0.110 -0.000) 0.551 1.291 ( -1.445 -2.425 -0.000) 2.823 1.456 ( 6.299 2.738 0.000) 6.869 1.499 ( 4.231 -0.448 0.000) 4.255 1.731 ( 3.920 1.287 0.000) 4.126 1.754 ( 3.355 -0.244 0.000) 3.364 1.938 ( -0.880 -1.435 -0.000) 1.683 1.946 ( 2.729 -1.423 0.000) 3.078 2.150 ( 0.834 1.486 0.000) 1.704 2.202 ( -1.402 -2.392 -0.000) 2.773 2.319 ( -0.108 3.465 0.000) 3.467 2.341 ( -0.869 0.190 -0.000) 0.889 2.399 ( -1.043 -1.452 -0.000) 1.788 2.418 ( -1.696 -1.396 -0.000) 2.197 2.682 ( -3.589 1.560 -0.000) 3.913 2.710 ( -2.684 -0.195 -0.000) 2.691 2.957 ( -23.535 0.521 -0.000) 23.541 2.961 ( -24.503 0.059 -0.000) 24.503 3.819 ( 17.173 0.031 0.000) 17.173 3.821 ( 17.136 -0.102 0.000) 17.136 4.268 ( -0.628 0.150 -0.000) 0.645 4.275 ( -0.507 -0.227 -0.000) 0.556 4.426 ( 1.226 0.241 0.000) 1.249 4.432 ( 0.398 -0.171 0.000) 0.433 4.737 ( 1.486 0.232 0.000) 1.504 4.756 ( 1.416 -1.030 -0.000) 1.751 6.084 ( 0.032 0.279 0.000) 0.280 6.102 ( 0.110 0.121 0.000) 0.163 6.112 ( -2.207 0.806 -0.000) 2.350 6.124 ( -2.006 -1.001 -0.000) 2.242 7.186 ( 0.204 0.474 0.000) 0.516 7.209 ( 0.349 -1.040 -0.000) 1.097 7.618 ( -0.617 0.158 -0.000) 0.637 7.619 ( -0.627 0.065 -0.000) 0.630 12.071 ( -0.848 -0.674 -0.000) 1.083 12.076 ( -2.155 -0.645 -0.000) 2.249 12.166 ( 1.364 -0.584 0.000) 1.484 12.170 ( 0.416 -0.112 0.000) 0.430 12.370 ( -0.299 4.836 0.000) 4.846 12.494 ( -0.097 -3.052 -0.000) 3.053 12.626 ( 0.856 0.204 0.000) 0.880 12.627 ( 0.505 0.028 0.000) 0.505 ======================= Grid point 310 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -4.792 7.745 0.000) 9.108 0.772 ( -7.632 6.521 0.000) 10.038 0.836 ( -0.287 7.618 0.000) 7.624 0.985 ( 0.510 -2.784 -0.000) 2.830 1.096 ( -1.890 5.252 0.000) 5.582 1.191 ( -3.117 2.458 0.000) 3.969 1.243 ( 2.802 2.113 0.000) 3.509 1.347 ( -0.721 -1.636 -0.000) 1.788 1.541 ( -2.425 1.067 -0.000) 2.650 1.630 ( -0.515 -2.182 -0.000) 2.242 1.721 ( -23.826 1.246 -0.000) 23.859 1.721 ( -15.076 0.061 -0.000) 15.076 1.914 ( 5.611 -1.314 0.000) 5.762 1.935 ( 3.507 -1.385 0.000) 3.770 2.043 ( -4.465 1.335 -0.000) 4.660 2.124 ( 4.247 -3.708 -0.000) 5.638 2.188 ( -2.013 -2.218 -0.000) 2.995 2.269 ( -1.166 -1.324 -0.000) 1.764 2.287 ( -3.135 1.719 -0.000) 3.576 2.388 ( -2.175 -1.988 -0.000) 2.947 2.451 ( -5.981 3.522 -0.000) 6.941 2.527 ( 0.360 1.283 0.000) 1.333 2.537 ( -5.593 0.809 -0.000) 5.651 2.564 ( 6.032 0.905 0.000) 6.100 4.255 ( 0.298 -1.330 -0.000) 1.363 4.264 ( -0.556 -1.337 -0.000) 1.448 4.271 ( 8.512 -0.045 0.000) 8.512 4.277 ( 8.265 -0.293 0.000) 8.270 4.451 ( 0.879 0.898 0.000) 1.256 4.495 ( 2.372 -0.298 0.000) 2.391 4.829 ( 2.847 -0.450 0.000) 2.882 4.861 ( 2.698 -1.736 0.000) 3.208 5.960 ( -4.027 0.660 -0.000) 4.081 6.008 ( -3.309 -0.290 -0.000) 3.322 6.087 ( -0.597 0.510 0.000) 0.785 6.108 ( -1.136 -0.313 -0.000) 1.178 7.215 ( 1.548 0.163 0.000) 1.556 7.259 ( 0.828 -1.676 -0.000) 1.869 7.561 ( -2.380 0.435 -0.000) 2.419 7.561 ( -2.277 0.297 -0.000) 2.296 11.982 ( -3.691 -0.252 -0.000) 3.700 12.076 ( -0.277 -2.133 -0.000) 2.151 12.133 ( -1.643 1.881 0.000) 2.498 12.262 ( 3.346 -2.148 0.000) 3.976 12.318 ( 1.082 4.221 0.000) 4.357 12.542 ( -0.024 -2.535 -0.000) 2.535 12.630 ( -0.171 0.268 0.000) 0.318 12.649 ( 0.342 0.023 0.000) 0.343 ======================= Grid point 320 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 12.587 0.000) 12.587 0.597 ( 0.000 9.618 0.000) 9.618 0.612 ( 0.000 7.092 0.000) 7.092 0.941 ( 0.000 6.578 0.000) 6.578 1.030 ( 0.000 17.171 0.000) 17.171 1.052 ( -0.000 -5.856 -0.000) 5.856 1.146 ( 0.000 10.853 0.000) 10.853 1.229 ( -0.000 -2.585 -0.000) 2.585 1.297 ( 0.000 2.863 0.000) 2.863 1.457 ( -0.000 -0.655 -0.000) 0.655 1.611 ( -0.000 -2.895 -0.000) 2.895 1.655 ( -0.000 -6.392 -0.000) 6.392 2.027 ( 0.000 1.835 0.000) 1.835 2.038 ( -0.000 -1.316 -0.000) 1.316 2.040 ( -0.000 -3.318 -0.000) 3.318 2.121 ( 0.000 1.126 0.000) 1.126 2.223 ( -0.000 -2.832 -0.000) 2.832 2.226 ( 0.000 2.850 0.000) 2.850 2.249 ( -0.000 -3.800 -0.000) 3.800 2.320 ( -0.000 -0.968 -0.000) 0.968 2.350 ( 0.000 2.934 0.000) 2.934 2.420 ( 0.000 1.450 0.000) 1.450 2.565 ( 0.000 0.158 0.000) 0.158 2.761 ( -0.000 -5.094 -0.000) 5.094 4.242 ( -0.000 -2.035 -0.000) 2.035 4.250 ( -0.000 -2.293 -0.000) 2.293 4.418 ( 0.000 0.401 0.000) 0.401 4.427 ( -0.000 -0.168 -0.000) 0.168 4.471 ( 0.000 1.472 0.000) 1.472 4.545 ( -0.000 -0.460 -0.000) 0.460 4.886 ( -0.000 -0.504 -0.000) 0.504 4.913 ( -0.000 -1.987 -0.000) 1.987 5.875 ( -0.000 -0.025 -0.000) 0.025 5.922 ( -0.000 -1.544 -0.000) 1.544 6.073 ( 0.000 0.890 0.000) 0.890 6.094 ( 0.000 0.115 0.000) 0.115 7.256 ( 0.000 0.546 0.000) 0.546 7.263 ( 0.000 0.630 0.000) 0.630 7.501 ( 0.000 0.088 0.000) 0.088 7.504 ( -0.000 -0.004 -0.000) 0.004 11.891 ( 0.000 2.482 0.000) 2.482 12.070 ( -0.000 -1.921 -0.000) 1.921 12.100 ( 0.000 2.878 0.000) 2.878 12.341 ( 0.000 4.027 0.000) 4.027 12.389 ( -0.000 -4.906 -0.000) 4.906 12.488 ( -0.000 -0.644 -0.000) 0.644 12.623 ( 0.000 0.058 0.000) 0.058 12.649 ( -0.000 -0.597 -0.000) 0.597 ======================= Grid point 321 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -4.834 9.840 0.153) 10.964 0.723 ( -4.903 6.632 1.530) 8.389 0.801 ( -10.482 5.332 0.891) 11.794 0.982 ( 1.856 -3.518 -1.636) 4.301 1.099 ( -7.080 7.224 -1.488) 10.223 1.170 ( -2.042 7.255 1.939) 7.782 1.276 ( -6.895 4.265 -0.018) 8.107 1.284 ( -8.562 0.375 0.575) 8.589 1.310 ( -3.189 2.747 -1.192) 4.375 1.472 ( -5.122 -1.025 -0.094) 5.224 1.593 ( -0.377 -2.106 0.353) 2.169 1.622 ( -0.528 -5.029 1.973) 5.428 1.974 ( 3.544 -1.646 -3.200) 5.051 1.996 ( 3.168 -1.926 1.152) 3.882 2.033 ( 0.907 2.362 -0.410) 2.563 2.143 ( -1.190 -0.062 -2.668) 2.922 2.166 ( 3.251 -2.892 -1.015) 4.468 2.237 ( -2.006 -2.203 1.000) 3.143 2.270 ( -1.362 1.785 2.638) 3.464 2.339 ( -2.014 -1.226 1.418) 2.751 2.399 ( -2.987 3.165 0.617) 4.396 2.460 ( -3.559 0.746 -0.201) 3.642 2.554 ( 1.371 0.548 -0.055) 1.478 2.666 ( 5.569 -3.221 -0.599) 6.461 4.236 ( -0.617 -1.716 -0.338) 1.855 4.239 ( -0.718 -1.714 0.378) 1.897 4.382 ( 4.415 0.164 -0.078) 4.419 4.388 ( 4.426 -0.157 0.088) 4.430 4.476 ( 0.845 1.377 0.105) 1.619 4.527 ( 1.519 -0.594 -0.067) 1.633 4.866 ( 1.770 -0.404 -0.063) 1.816 4.886 ( 1.583 -1.573 -0.057) 2.233 5.901 ( -2.841 0.294 -0.050) 2.857 5.941 ( -3.162 -1.372 0.038) 3.447 6.082 ( -0.356 0.712 -0.175) 0.815 6.097 ( -0.330 0.144 0.089) 0.371 7.245 ( 1.506 0.384 -0.167) 1.563 7.262 ( 0.606 -0.411 0.169) 0.751 7.522 ( -2.152 0.231 -0.001) 2.164 7.524 ( -2.084 0.116 0.003) 2.087 11.933 ( -2.360 1.844 0.182) 3.001 12.052 ( -0.265 -2.835 -0.168) 2.852 12.133 ( -0.620 3.574 -0.398) 3.649 12.306 ( 3.442 -2.923 -1.187) 4.670 12.367 ( 0.963 3.660 1.187) 3.967 12.507 ( -1.606 -2.500 -0.066) 2.972 12.627 ( -0.325 0.203 0.102) 0.397 12.647 ( -0.217 -0.484 -0.004) 0.531 ======================= Grid point 322 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -0.887 4.686 -5.202) 7.058 0.872 ( -4.764 4.437 0.810) 6.561 0.919 ( -1.273 2.001 1.488) 2.800 0.950 ( -0.596 -0.060 1.226) 1.365 1.164 ( 0.363 2.286 0.498) 2.368 1.223 ( -0.112 1.523 1.707) 2.291 1.276 ( 2.517 2.748 -0.190) 3.731 1.333 ( 1.241 -0.760 0.373) 1.502 1.548 ( -2.193 0.076 -1.854) 2.873 1.619 ( 0.247 -0.449 4.544) 4.572 1.721 ( -20.719 -0.265 -0.351) 20.724 1.726 ( -22.420 -0.675 0.340) 22.433 1.875 ( 5.098 -0.814 -3.258) 6.105 1.933 ( 3.531 -1.114 2.462) 4.447 2.057 ( -4.290 1.126 -1.900) 4.825 2.078 ( 3.098 -1.540 -0.972) 3.594 2.139 ( -0.434 -0.200 -5.176) 5.198 2.271 ( -2.413 -1.973 3.181) 4.454 2.311 ( -1.024 1.180 1.371) 2.079 2.373 ( -1.928 -1.130 2.429) 3.301 2.499 ( -5.456 2.516 0.086) 6.008 2.527 ( -0.690 -0.100 -0.450) 0.829 2.542 ( -2.627 0.384 -1.686) 3.145 2.575 ( 1.243 0.037 1.233) 1.751 4.237 ( -0.784 -0.770 -0.346) 1.152 4.248 ( -1.060 -0.956 0.294) 1.457 4.270 ( 8.681 -0.044 -0.134) 8.682 4.274 ( 8.745 -0.136 0.216) 8.749 4.461 ( 1.674 0.615 -0.869) 1.983 4.493 ( 1.873 -0.229 0.763) 2.035 4.822 ( 2.834 -0.318 -0.383) 2.877 4.840 ( 2.518 -1.003 0.316) 2.729 5.966 ( -4.207 0.551 -0.801) 4.317 6.001 ( -4.419 -0.726 0.717) 4.535 6.091 ( -0.333 0.362 -0.624) 0.795 6.107 ( -0.504 -0.080 0.571) 0.766 7.218 ( 1.516 0.281 -0.145) 1.549 7.239 ( 1.325 -0.968 0.015) 1.641 7.565 ( -2.361 0.246 -0.050) 2.375 7.566 ( -2.403 0.190 0.124) 2.414 11.988 ( -2.626 0.946 0.037) 2.791 12.041 ( -0.794 -2.255 -0.068) 2.392 12.153 ( 0.101 1.508 -2.561) 2.974 12.244 ( 1.887 -1.004 2.276) 3.122 12.381 ( 0.938 4.083 0.008) 4.189 12.495 ( 0.027 -3.344 -0.405) 3.369 12.635 ( -0.168 0.252 -0.036) 0.306 12.648 ( -0.026 -0.234 0.280) 0.366 ======================= Grid point 323 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 1.917 1.150 -10.708) 10.938 0.873 ( 1.135 -0.835 -1.599) 2.131 0.973 ( -0.530 2.320 3.208) 3.995 1.028 ( -4.637 1.088 2.838) 5.544 1.180 ( -0.325 -0.146 1.578) 1.618 1.213 ( 2.254 1.817 -2.518) 3.838 1.278 ( -0.817 0.057 5.472) 5.533 1.303 ( 0.411 -1.628 2.778) 3.247 1.530 ( 2.507 0.540 -1.587) 3.016 1.605 ( 4.507 0.941 3.251) 5.636 1.760 ( 5.643 0.200 -3.894) 6.859 1.868 ( 4.266 1.168 2.843) 5.258 1.895 ( -1.960 -0.056 -2.970) 3.559 1.961 ( -1.323 -3.984 0.140) 4.200 2.096 ( -2.207 1.016 -4.193) 4.846 2.151 ( -5.927 -0.274 -1.865) 6.220 2.262 ( -13.595 -0.176 -1.014) 13.634 2.319 ( -2.864 -0.345 0.232) 2.894 2.349 ( -2.505 -0.112 2.825) 3.778 2.405 ( -1.129 -0.482 2.643) 2.915 2.579 ( -9.601 1.246 -2.180) 9.924 2.605 ( -10.350 0.132 -0.653) 10.371 2.633 ( -6.738 1.040 0.869) 6.873 2.652 ( -8.484 -0.277 1.398) 8.603 4.080 ( 13.351 -0.031 -0.180) 13.352 4.086 ( 13.298 -0.041 0.233) 13.300 4.251 ( -1.082 -0.143 -0.362) 1.150 4.261 ( -0.897 -0.289 0.242) 0.973 4.427 ( 1.532 -0.018 -1.639) 2.243 4.470 ( 1.447 0.124 1.437) 2.043 4.768 ( 2.809 -0.225 -0.817) 2.934 4.794 ( 2.458 -0.393 0.855) 2.632 6.035 ( -3.815 0.343 -1.472) 4.103 6.077 ( -3.674 -0.228 1.080) 3.836 6.094 ( -0.524 0.215 -0.360) 0.671 6.114 ( 0.029 -0.191 0.743) 0.767 7.200 ( 0.958 0.493 0.036) 1.078 7.211 ( 0.876 -0.917 -0.161) 1.278 7.601 ( -1.605 0.152 0.055) 1.613 7.602 ( -1.511 0.068 0.059) 1.514 12.027 ( -1.731 -0.258 -0.859) 1.950 12.052 ( -1.650 -0.606 0.463) 1.818 12.138 ( 0.205 -0.023 -2.918) 2.926 12.234 ( 1.329 0.104 4.009) 4.224 12.400 ( 0.282 4.423 -0.735) 4.492 12.462 ( 0.227 -3.813 -0.811) 3.905 12.634 ( 0.262 0.085 -0.168) 0.322 12.643 ( 0.692 -0.004 0.370) 0.785 ======================= Grid point 324 (125/171) ======================= q-point: ( 0.70 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 2.307 0.000 -12.824) 13.030 0.874 ( -2.510 -0.000 -1.157) 2.763 1.005 ( 0.260 -0.000 3.290) 3.300 1.090 ( 1.464 -0.000 7.238) 7.385 1.179 ( -1.404 -0.000 -1.216) 1.857 1.187 ( -1.297 -0.000 -3.752) 3.970 1.320 ( -0.055 -0.000 4.514) 4.515 1.351 ( -4.094 -0.000 4.431) 6.033 1.469 ( 3.450 0.000 -0.444) 3.479 1.502 ( 8.020 0.000 -0.343) 8.027 1.653 ( 4.672 0.000 -4.631) 6.578 1.803 ( 4.442 0.000 1.301) 4.628 1.892 ( -0.773 -0.000 -2.295) 2.422 1.968 ( -0.583 -0.000 1.760) 1.854 2.091 ( -0.912 0.000 -4.802) 4.887 2.173 ( 0.438 0.000 -2.508) 2.546 2.347 ( -1.707 -0.000 -1.223) 2.100 2.374 ( 0.419 -0.000 1.651) 1.704 2.379 ( -1.143 -0.000 2.159) 2.443 2.430 ( -1.097 -0.000 1.677) 2.004 2.687 ( -3.052 -0.000 -0.953) 3.198 2.704 ( -3.008 -0.000 -0.149) 3.012 2.947 ( -23.780 -0.000 -0.601) 23.788 2.981 ( -23.490 -0.000 1.093) 23.516 3.815 ( 17.139 0.000 -0.189) 17.140 3.824 ( 17.097 0.000 0.266) 17.099 4.266 ( -0.848 -0.000 -0.270) 0.890 4.274 ( -0.582 -0.000 0.124) 0.595 4.402 ( 0.488 0.000 -1.419) 1.501 4.455 ( 1.105 0.000 1.237) 1.659 4.725 ( 1.456 0.000 -0.934) 1.730 4.763 ( 1.253 0.000 1.012) 1.611 6.082 ( 0.593 0.000 -0.526) 0.793 6.083 ( -2.127 -0.000 -1.381) 2.537 6.110 ( 0.401 0.000 0.491) 0.634 6.150 ( -2.912 -0.000 1.599) 3.322 7.187 ( 0.613 0.000 -0.444) 0.757 7.204 ( -0.291 -0.000 0.411) 0.503 7.618 ( -0.485 -0.000 -0.019) 0.485 7.622 ( -0.660 -0.000 0.167) 0.681 12.049 ( -1.662 -0.000 -1.078) 1.981 12.072 ( -0.698 -0.000 -0.648) 0.952 12.135 ( -0.716 -0.000 -0.497) 0.871 12.224 ( 1.736 0.000 3.457) 3.869 12.421 ( 0.435 0.000 -1.335) 1.404 12.437 ( -1.005 -0.000 -0.814) 1.293 12.628 ( 1.099 0.000 0.042) 1.100 12.628 ( 0.413 0.000 0.040) 0.415 ======================= Grid point 332 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.000 11.535 2.777) 11.864 0.605 ( -0.000 9.513 1.946) 9.710 0.629 ( -0.000 7.169 4.160) 8.288 0.924 ( -0.000 7.357 -3.365) 8.090 1.017 ( 0.000 -2.873 -6.780) 7.364 1.053 ( -0.000 16.038 4.585) 16.681 1.170 ( -0.000 7.930 4.236) 8.990 1.234 ( 0.000 -2.444 1.042) 2.657 1.279 ( -0.000 2.914 -3.995) 4.944 1.452 ( 0.000 -0.651 -1.134) 1.308 1.619 ( 0.000 -2.753 1.665) 3.217 1.667 ( 0.000 -6.074 2.581) 6.599 2.009 ( 0.000 -2.483 -6.099) 6.585 2.026 ( 0.000 -1.275 -2.813) 3.089 2.027 ( -0.000 1.815 0.051) 1.816 2.128 ( -0.000 0.927 1.325) 1.617 2.191 ( -0.000 0.949 -4.986) 5.076 2.236 ( 0.000 -3.597 2.025) 4.128 2.272 ( 0.000 -0.517 2.809) 2.857 2.337 ( 0.000 -0.908 3.923) 4.026 2.363 ( -0.000 1.973 2.782) 3.411 2.417 ( -0.000 1.542 -0.826) 1.750 2.568 ( 0.000 -0.119 0.737) 0.747 2.752 ( 0.000 -4.900 -2.034) 5.306 4.242 ( 0.000 -2.048 0.106) 2.050 4.251 ( 0.000 -2.322 0.124) 2.325 4.418 ( -0.000 0.400 0.018) 0.400 4.425 ( 0.000 -0.057 -0.281) 0.287 4.475 ( -0.000 1.315 0.754) 1.516 4.543 ( 0.000 -0.418 -0.338) 0.537 4.885 ( 0.000 -0.493 -0.104) 0.504 4.912 ( 0.000 -1.947 -0.276) 1.967 5.877 ( 0.000 -0.136 0.383) 0.406 5.921 ( 0.000 -1.545 -0.212) 1.560 6.073 ( -0.000 0.877 0.007) 0.877 6.093 ( -0.000 0.173 -0.311) 0.356 7.257 ( -0.000 0.510 0.220) 0.555 7.263 ( -0.000 0.619 0.031) 0.620 7.501 ( -0.000 0.076 -0.015) 0.078 7.503 ( 0.000 -0.012 -0.045) 0.047 11.893 ( -0.000 2.498 0.601) 2.569 12.064 ( 0.000 -0.865 -1.604) 1.822 12.102 ( -0.000 1.979 0.689) 2.096 12.324 ( -0.000 2.046 -3.262) 3.850 12.402 ( 0.000 -2.914 2.474) 3.823 12.489 ( 0.000 -0.597 0.036) 0.598 12.624 ( -0.000 0.054 0.167) 0.176 12.649 ( 0.000 -0.568 -0.134) 0.584 ======================= Grid point 333 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -3.285 7.930 -0.543) 8.601 0.753 ( -4.638 6.929 5.318) 9.889 0.816 ( -10.065 5.328 2.532) 11.666 0.957 ( 0.497 -2.500 -4.099) 4.827 1.080 ( -8.820 6.293 -2.709) 11.169 1.195 ( -1.216 7.883 3.409) 8.675 1.266 ( -0.442 2.915 -3.141) 4.308 1.293 ( -11.281 1.531 1.345) 11.463 1.301 ( -5.779 2.500 0.087) 6.297 1.470 ( -5.840 -1.266 -0.368) 5.987 1.602 ( 0.180 -2.447 1.916) 3.113 1.651 ( -0.632 -3.638 4.294) 5.664 1.943 ( 2.985 -1.284 -3.741) 4.955 1.985 ( 1.448 -1.588 -3.905) 4.457 2.031 ( 1.432 2.085 0.148) 2.534 2.119 ( 1.666 0.476 -2.425) 2.980 2.152 ( 2.051 -2.129 -1.940) 3.536 2.243 ( -2.365 -1.448 0.451) 2.810 2.307 ( -1.535 0.040 4.700) 4.944 2.361 ( -1.294 -0.504 3.585) 3.844 2.409 ( -2.589 2.399 1.607) 3.878 2.457 ( -3.710 0.876 -0.433) 3.836 2.553 ( 1.759 -0.031 -0.197) 1.770 2.656 ( 4.979 -3.026 -1.661) 6.058 4.233 ( -0.485 -1.737 -0.251) 1.821 4.242 ( -0.777 -1.714 0.343) 1.913 4.381 ( 4.436 0.161 -0.129) 4.441 4.389 ( 4.325 -0.125 0.163) 4.330 4.478 ( 1.116 1.138 0.280) 1.618 4.526 ( 1.371 -0.408 -0.184) 1.442 4.865 ( 1.791 -0.481 -0.142) 1.860 4.885 ( 1.498 -1.438 -0.165) 2.083 5.901 ( -2.612 0.105 -0.126) 2.617 5.941 ( -3.367 -1.287 0.093) 3.606 6.080 ( -0.166 0.671 -0.385) 0.791 6.098 ( -0.589 0.185 0.162) 0.639 7.242 ( 1.520 0.302 -0.334) 1.585 7.264 ( 0.716 -0.334 0.336) 0.858 7.522 ( -2.159 0.218 0.001) 2.170 7.524 ( -2.144 0.097 0.003) 2.146 11.936 ( -2.165 1.906 0.549) 2.936 12.049 ( -0.296 -2.156 -0.749) 2.302 12.127 ( -0.287 2.671 -0.682) 2.771 12.290 ( 1.805 -1.395 -2.207) 3.175 12.382 ( 1.930 2.409 2.123) 3.746 12.505 ( -1.372 -2.325 -0.189) 2.706 12.629 ( -0.329 0.120 0.255) 0.433 12.647 ( -0.301 -0.409 -0.008) 0.508 ======================= Grid point 334 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.963 2.922 -7.082) 7.722 0.881 ( -1.320 2.167 0.966) 2.715 0.934 ( -3.576 2.949 1.610) 4.907 0.965 ( -0.973 2.266 2.660) 3.627 1.171 ( -1.201 1.384 0.995) 2.085 1.227 ( 1.788 2.802 -1.310) 3.573 1.284 ( 0.087 3.244 2.192) 3.917 1.339 ( 0.434 -1.203 0.816) 1.517 1.540 ( -2.313 -0.679 0.136) 2.415 1.656 ( -0.750 0.872 3.460) 3.646 1.719 ( -17.699 -0.314 -0.177) 17.703 1.732 ( -21.714 -1.475 1.267) 21.801 1.851 ( 5.261 -0.622 -2.028) 5.673 1.944 ( 0.852 -0.592 -0.532) 1.166 2.034 ( -1.835 1.748 -3.026) 3.948 2.063 ( 1.378 -0.752 -2.519) 2.968 2.106 ( 0.418 -1.663 -2.363) 2.920 2.277 ( -2.679 -1.237 -0.453) 2.986 2.344 ( -0.461 -0.228 4.972) 4.999 2.397 ( -1.468 -0.255 2.894) 3.255 2.499 ( -3.289 2.017 -0.544) 3.896 2.514 ( -0.470 0.396 -1.868) 1.966 2.538 ( -4.610 0.056 0.464) 4.633 2.583 ( 0.494 -0.032 0.453) 0.670 4.234 ( -0.810 -0.844 -0.352) 1.222 4.250 ( -0.937 -0.846 0.255) 1.288 4.269 ( 8.649 -0.071 -0.111) 8.650 4.276 ( 8.744 -0.152 0.255) 8.750 4.453 ( 2.084 0.217 -0.981) 2.313 4.500 ( 1.516 0.155 0.808) 1.725 4.819 ( 2.920 -0.561 -0.456) 3.008 4.843 ( 2.356 -0.734 0.350) 2.493 5.959 ( -3.978 0.257 -0.925) 4.092 6.008 ( -4.683 -0.512 0.786) 4.777 6.085 ( -0.294 0.310 -0.624) 0.756 6.112 ( -0.606 -0.023 0.543) 0.814 7.217 ( 1.290 0.113 -0.221) 1.314 7.239 ( 1.575 -0.775 0.012) 1.756 7.564 ( -2.366 0.264 -0.015) 2.381 7.567 ( -2.426 0.153 0.133) 2.434 11.988 ( -2.366 0.880 0.075) 2.525 12.040 ( -0.828 -1.851 -0.139) 2.033 12.129 ( 0.384 0.455 -2.856) 2.917 12.265 ( 0.677 0.256 2.449) 2.554 12.381 ( 1.393 3.508 0.009) 3.775 12.490 ( 0.278 -3.106 -0.669) 3.190 12.634 ( -0.097 0.063 -0.035) 0.121 12.651 ( -0.100 -0.124 0.412) 0.442 ======================= Grid point 335 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 3.037 0.330 -10.705) 11.133 0.861 ( 1.298 -0.417 -1.292) 1.878 1.004 ( -0.233 1.977 3.781) 4.273 1.041 ( -5.060 1.403 0.625) 5.288 1.188 ( 2.077 1.856 -2.524) 3.759 1.204 ( 0.158 -0.898 2.862) 3.003 1.317 ( -1.402 0.131 2.875) 3.201 1.337 ( -0.502 -0.609 5.308) 5.366 1.523 ( 2.660 0.211 0.213) 2.677 1.623 ( 6.129 0.721 0.467) 6.189 1.741 ( 6.415 0.676 0.010) 6.450 1.857 ( -1.566 -0.340 -5.701) 5.922 1.887 ( 3.658 1.535 1.489) 4.238 1.962 ( -1.828 -3.570 -0.006) 4.011 2.065 ( -0.327 0.646 -2.893) 2.982 2.131 ( -6.304 -0.937 -2.679) 6.914 2.254 ( -15.452 0.736 -0.799) 15.490 2.312 ( -3.414 -1.605 -0.882) 3.874 2.383 ( -1.252 0.166 4.207) 4.392 2.427 ( -0.677 0.029 2.317) 2.414 2.560 ( -10.036 1.090 -2.307) 10.355 2.600 ( -8.991 0.037 -0.449) 9.002 2.639 ( -6.752 0.900 0.454) 6.827 2.665 ( -9.765 -0.039 1.359) 9.859 4.079 ( 13.372 -0.031 -0.135) 13.373 4.088 ( 13.293 -0.044 0.202) 13.294 4.248 ( -1.135 -0.218 -0.327) 1.201 4.263 ( -0.829 -0.218 0.178) 0.875 4.414 ( 1.579 -0.089 -1.354) 2.082 4.481 ( 1.401 0.195 1.102) 1.793 4.761 ( 2.880 -0.355 -0.661) 2.976 4.800 ( 2.341 -0.260 0.709) 2.460 6.023 ( -3.737 0.203 -1.207) 3.933 6.081 ( -1.540 -0.375 -0.103) 1.588 6.096 ( -2.843 0.440 0.697) 2.960 6.120 ( 0.015 -0.146 0.602) 0.620 7.201 ( 0.960 0.350 0.075) 1.024 7.209 ( 0.822 -0.760 -0.228) 1.143 7.601 ( -1.668 0.158 0.069) 1.677 7.602 ( -1.450 0.066 0.070) 1.453 12.020 ( -1.486 -0.444 -0.753) 1.724 12.054 ( -1.445 -0.405 0.037) 1.502 12.117 ( -0.570 -0.103 -1.938) 2.022 12.268 ( 1.440 0.318 3.909) 4.178 12.392 ( 0.275 4.161 -1.226) 4.347 12.454 ( 0.430 -3.651 -1.070) 3.829 12.633 ( 0.200 0.026 -0.109) 0.230 12.646 ( 0.818 0.003 0.347) 0.889 ======================= Grid point 336 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 2.414 0.000 -11.319) 11.574 0.864 ( -2.732 -0.000 -1.032) 2.920 1.035 ( 0.481 -0.000 3.556) 3.588 1.129 ( -4.045 -0.000 1.407) 4.283 1.156 ( -1.354 -0.000 -3.387) 3.647 1.193 ( 3.005 0.000 4.858) 5.712 1.352 ( 2.067 0.000 2.800) 3.480 1.383 ( -4.172 -0.000 2.780) 5.013 1.472 ( 2.937 0.000 1.205) 3.174 1.484 ( 8.326 0.000 -4.054) 9.261 1.631 ( 6.417 0.000 -0.348) 6.426 1.808 ( 3.899 0.000 0.019) 3.899 1.869 ( -1.621 -0.000 -3.083) 3.484 1.979 ( -1.274 -0.000 0.789) 1.499 2.058 ( -0.720 0.000 -2.865) 2.954 2.149 ( 0.309 0.000 -2.834) 2.851 2.335 ( -1.689 -0.000 -1.366) 2.172 2.392 ( 1.220 0.000 2.100) 2.428 2.396 ( -1.690 -0.000 1.633) 2.350 2.442 ( -0.466 -0.000 1.203) 1.290 2.680 ( -3.340 -0.000 -0.838) 3.444 2.702 ( -3.214 -0.000 -0.302) 3.229 2.943 ( -23.620 -0.000 -0.365) 23.623 2.989 ( -23.233 -0.000 0.850) 23.249 3.814 ( 17.128 0.000 -0.129) 17.129 3.826 ( 17.076 0.000 0.206) 17.077 4.264 ( -0.903 -0.000 -0.217) 0.929 4.275 ( -0.538 -0.000 0.071) 0.542 4.392 ( 0.342 0.000 -1.061) 1.115 4.464 ( 1.191 0.000 0.878) 1.480 4.718 ( 1.500 0.000 -0.667) 1.642 4.771 ( 1.223 0.000 0.746) 1.433 6.073 ( -2.319 -0.000 -1.087) 2.561 6.078 ( 0.527 0.000 -0.371) 0.645 6.114 ( 0.672 0.000 0.465) 0.818 6.162 ( -2.991 -0.000 1.175) 3.213 7.183 ( 0.758 0.000 -0.326) 0.825 7.207 ( -0.486 -0.000 0.294) 0.568 7.618 ( -0.459 -0.000 0.004) 0.459 7.623 ( -0.699 -0.000 0.144) 0.713 12.041 ( -1.667 -0.000 -0.817) 1.857 12.065 ( -0.292 0.000 -0.997) 1.039 12.135 ( -1.515 -0.000 0.286) 1.542 12.252 ( 2.102 0.000 3.035) 3.691 12.410 ( 0.782 0.000 -1.200) 1.432 12.428 ( -1.381 -0.000 -1.212) 1.838 12.628 ( 1.245 0.000 0.047) 1.246 12.628 ( 0.319 0.000 0.027) 0.320 ======================= Grid point 345 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -0.000 8.995 3.693) 9.724 0.629 ( -0.000 9.225 3.599) 9.902 0.685 ( -0.000 7.243 8.798) 11.396 0.891 ( -0.000 7.631 -4.305) 8.762 0.951 ( 0.000 -1.050 -8.488) 8.552 1.099 ( -0.000 14.720 5.813) 15.826 1.202 ( -0.000 6.831 2.468) 7.263 1.228 ( -0.000 0.729 -5.629) 5.676 1.253 ( -0.000 -0.016 1.873) 1.873 1.438 ( 0.000 -0.613 -2.186) 2.271 1.640 ( 0.000 -2.322 3.297) 4.033 1.695 ( 0.000 -5.321 3.768) 6.520 1.952 ( 0.000 -1.686 -6.765) 6.972 1.993 ( 0.000 -1.287 -4.804) 4.974 2.028 ( -0.000 1.881 0.169) 1.889 2.125 ( -0.000 1.646 -3.289) 3.678 2.167 ( -0.000 0.386 0.653) 0.759 2.248 ( 0.000 -3.923 0.615) 3.971 2.292 ( -0.000 1.262 1.988) 2.355 2.379 ( 0.000 -0.649 4.869) 4.913 2.393 ( -0.000 0.670 3.981) 4.037 2.408 ( -0.000 1.311 -0.694) 1.483 2.576 ( 0.000 -0.878 1.246) 1.524 2.728 ( 0.000 -4.454 -3.597) 5.725 4.244 ( 0.000 -2.085 0.195) 2.094 4.252 ( 0.000 -2.372 0.125) 2.375 4.418 ( -0.000 0.395 0.034) 0.396 4.423 ( -0.000 0.112 -0.283) 0.304 4.483 ( -0.000 1.025 1.137) 1.531 4.539 ( 0.000 -0.297 -0.643) 0.709 4.884 ( 0.000 -0.505 -0.059) 0.508 4.909 ( 0.000 -1.831 -0.512) 1.901 5.882 ( 0.000 -0.419 0.666) 0.787 5.919 ( 0.000 -1.542 -0.410) 1.595 6.073 ( -0.000 0.844 0.036) 0.845 6.090 ( -0.000 0.311 -0.503) 0.592 7.259 ( -0.000 0.438 0.312) 0.538 7.263 ( -0.000 0.587 0.056) 0.590 7.501 ( -0.000 0.044 -0.021) 0.048 7.503 ( 0.000 -0.031 -0.078) 0.084 11.901 ( -0.000 2.537 1.211) 2.811 12.043 ( -0.000 0.753 -3.028) 3.120 12.113 ( -0.000 0.707 1.767) 1.903 12.293 ( -0.000 0.682 -3.990) 4.048 12.424 ( 0.000 -1.520 2.499) 2.925 12.489 ( 0.000 -0.472 -0.092) 0.481 12.626 ( -0.000 0.041 0.311) 0.313 12.647 ( 0.000 -0.488 -0.256) 0.551 ======================= Grid point 346 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -1.023 5.630 -0.602) 5.754 0.808 ( -4.268 6.213 6.931) 10.240 0.843 ( -7.778 5.049 3.615) 9.953 0.920 ( -2.619 -0.199 -3.648) 4.496 1.053 ( -10.806 5.337 -3.505) 12.552 1.210 ( 0.282 5.550 -3.418) 6.524 1.239 ( -1.801 5.669 0.703) 5.989 1.304 ( -10.146 1.037 1.307) 10.282 1.310 ( -4.880 2.351 1.560) 5.637 1.465 ( -7.174 -1.444 -0.664) 7.348 1.626 ( 0.996 -2.271 3.685) 4.441 1.691 ( -0.697 -2.148 4.826) 5.329 1.911 ( 0.883 -0.941 -3.893) 4.101 1.940 ( 1.967 -1.098 -5.745) 6.170 2.030 ( 1.437 1.981 -0.509) 2.499 2.099 ( 2.817 1.105 -2.510) 3.931 2.141 ( 1.981 -1.973 -0.315) 2.814 2.248 ( -1.994 -1.813 0.734) 2.793 2.340 ( -2.319 1.078 3.040) 3.973 2.397 ( -0.302 -0.570 4.476) 4.522 2.423 ( -2.142 1.794 1.242) 3.058 2.456 ( -3.646 0.622 0.423) 3.723 2.550 ( 2.395 -1.031 -0.389) 2.636 2.639 ( 3.881 -2.718 -2.329) 5.280 4.232 ( -0.345 -1.778 -0.155) 1.818 4.245 ( -0.802 -1.696 0.248) 1.893 4.380 ( 4.441 0.180 -0.095) 4.445 4.390 ( 4.207 -0.109 0.152) 4.212 4.481 ( 1.575 0.724 0.362) 1.770 4.524 ( 1.093 -0.069 -0.253) 1.124 4.864 ( 1.838 -0.631 -0.130) 1.948 4.883 ( 1.354 -1.200 -0.236) 1.824 5.899 ( -2.276 -0.175 -0.145) 2.287 5.942 ( -3.664 -1.172 0.102) 3.848 6.076 ( 0.016 0.640 -0.400) 0.755 6.100 ( -0.879 0.214 0.129) 0.914 7.239 ( 1.591 0.232 -0.314) 1.638 7.267 ( 0.838 -0.270 0.310) 0.933 7.522 ( -2.173 0.193 0.010) 2.182 7.524 ( -2.238 0.071 -0.009) 2.239 11.942 ( -1.777 2.006 0.909) 2.830 12.039 ( -0.551 -0.773 -1.618) 1.876 12.124 ( 0.468 0.863 -0.121) 0.989 12.270 ( 0.061 -0.222 -2.241) 2.252 12.400 ( 2.540 1.730 1.965) 3.647 12.503 ( -1.032 -2.066 -0.273) 2.325 12.632 ( -0.288 -0.015 0.291) 0.409 12.646 ( -0.470 -0.271 -0.004) 0.543 ======================= Grid point 347 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.728 1.462 -6.356) 7.070 0.886 ( 1.153 1.294 0.229) 1.748 0.944 ( -4.614 2.618 0.931) 5.386 0.999 ( -0.680 3.848 5.016) 6.359 1.177 ( -2.140 1.972 0.219) 2.918 1.205 ( 0.846 2.444 -3.374) 4.251 1.306 ( -0.672 2.675 2.555) 3.759 1.347 ( -0.791 -0.183 1.087) 1.357 1.551 ( -2.817 -1.163 2.554) 3.976 1.670 ( -6.742 1.308 -0.304) 6.874 1.719 ( -12.080 -0.197 0.262) 12.085 1.747 ( -15.801 -2.296 1.553) 16.043 1.847 ( 4.807 0.002 1.564) 5.055 1.920 ( -4.711 1.111 -4.334) 6.497 2.018 ( 0.619 0.897 -0.882) 1.402 2.035 ( 1.503 -0.349 -3.840) 4.139 2.094 ( 1.017 -2.269 -0.721) 2.589 2.275 ( -2.299 -1.454 -0.026) 2.720 2.383 ( -0.530 -0.309 3.775) 3.824 2.421 ( -0.761 0.505 2.628) 2.782 2.484 ( 1.038 0.533 -2.329) 2.605 2.508 ( -4.793 1.231 -0.004) 4.948 2.544 ( -4.601 0.064 0.885) 4.686 2.583 ( -0.077 -0.169 -0.331) 0.379 4.231 ( -0.813 -0.895 -0.264) 1.237 4.252 ( -0.787 -0.740 0.153) 1.091 4.268 ( 8.659 -0.077 -0.072) 8.659 4.279 ( 8.664 -0.205 0.227) 8.669 4.445 ( 2.395 -0.044 -0.779) 2.519 4.506 ( 1.273 0.397 0.605) 1.464 4.815 ( 2.983 -0.729 -0.366) 3.092 4.846 ( 2.202 -0.536 0.262) 2.281 5.951 ( -3.806 0.060 -0.734) 3.876 6.014 ( -4.894 -0.418 0.588) 4.947 6.081 ( -0.282 0.307 -0.467) 0.626 6.116 ( -0.704 -0.012 0.392) 0.806 7.215 ( 1.062 -0.051 -0.208) 1.084 7.239 ( 1.831 -0.581 0.000) 1.921 7.564 ( -2.375 0.273 0.005) 2.390 7.569 ( -2.451 0.123 0.109) 2.456 11.989 ( -1.990 0.774 0.102) 2.137 12.039 ( -0.918 -1.148 -0.200) 1.483 12.107 ( 0.365 -0.462 -2.228) 2.305 12.284 ( -0.624 1.402 1.914) 2.453 12.381 ( 2.102 2.599 0.002) 3.343 12.484 ( 0.606 -2.790 -0.696) 2.939 12.634 ( -0.042 -0.072 -0.020) 0.085 12.654 ( -0.155 -0.067 0.378) 0.414 ======================= Grid point 348 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 4.131 -0.180 -8.083) 9.079 0.852 ( 1.512 -0.286 -0.797) 1.733 1.036 ( 0.023 1.802 3.451) 3.893 1.043 ( -4.803 1.237 0.165) 4.962 1.164 ( 2.586 1.603 -2.845) 4.165 1.230 ( -1.271 -0.447 2.618) 2.944 1.335 ( -2.425 -0.882 1.558) 3.014 1.378 ( -0.320 0.921 3.750) 3.874 1.537 ( 3.153 -0.019 2.941) 4.312 1.614 ( 8.000 0.266 -2.035) 8.259 1.758 ( 6.590 1.655 2.881) 7.380 1.802 ( -1.505 -1.152 -6.464) 6.736 1.896 ( 3.276 2.495 0.562) 4.156 1.960 ( -1.555 -3.449 -0.556) 3.824 2.047 ( 0.139 0.653 -1.316) 1.476 2.108 ( -5.995 -2.246 -2.487) 6.868 2.248 ( -16.740 1.451 -0.481) 16.809 2.307 ( -3.856 -2.096 -0.450) 4.412 2.416 ( -0.111 0.091 3.213) 3.217 2.443 ( -0.237 0.400 1.595) 1.662 2.541 ( -10.900 0.947 -2.000) 11.123 2.597 ( -8.068 -0.033 -0.217) 8.071 2.641 ( -6.977 0.804 0.130) 7.025 2.675 ( -10.395 0.086 0.950) 10.439 4.078 ( 13.390 -0.032 -0.084) 13.390 4.089 ( 13.291 -0.046 0.139) 13.292 4.246 ( -1.169 -0.260 -0.225) 1.218 4.265 ( -0.780 -0.179 0.104) 0.807 4.404 ( 1.610 -0.137 -0.895) 1.847 4.489 ( 1.370 0.243 0.689) 1.553 4.757 ( 2.926 -0.429 -0.424) 2.987 4.805 ( 2.249 -0.185 0.463) 2.304 6.015 ( -3.687 0.121 -0.783) 3.772 6.079 ( -0.672 -0.311 -0.285) 0.793 6.102 ( -3.875 0.406 0.672) 3.954 6.124 ( 0.008 -0.110 0.387) 0.403 7.202 ( 0.999 0.150 0.125) 1.018 7.207 ( 0.733 -0.547 -0.248) 0.947 7.602 ( -1.721 0.164 0.057) 1.730 7.603 ( -1.399 0.063 0.055) 1.402 12.015 ( -1.331 -0.555 -0.505) 1.528 12.053 ( -0.954 -0.272 -0.325) 1.043 12.105 ( -1.501 -0.156 -0.888) 1.751 12.300 ( 1.667 0.555 3.547) 3.958 12.379 ( 0.021 3.716 -1.747) 4.106 12.445 ( 0.724 -3.369 -0.914) 3.566 12.633 ( 0.163 -0.008 -0.059) 0.174 12.649 ( 0.921 -0.008 0.242) 0.952 ======================= Grid point 349 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 2.502 0.000 -7.021) 7.454 0.857 ( -2.849 -0.000 -0.568) 2.905 1.065 ( 1.295 0.000 3.326) 3.570 1.128 ( -2.139 -0.000 -3.070) 3.741 1.131 ( -4.966 -0.000 -0.260) 4.973 1.243 ( 1.751 0.000 5.809) 6.067 1.367 ( 3.546 0.000 0.816) 3.638 1.397 ( -1.752 -0.000 0.248) 1.769 1.443 ( 7.553 0.000 -4.473) 8.778 1.487 ( 3.490 0.000 1.980) 4.013 1.639 ( 7.743 0.000 1.513) 7.890 1.805 ( -0.012 0.000 -0.559) 0.559 1.843 ( 0.438 0.000 -2.440) 2.479 1.982 ( -1.785 -0.000 -0.025) 1.786 2.042 ( -0.438 -0.000 -1.038) 1.126 2.129 ( 0.049 0.000 -1.709) 1.709 2.326 ( -1.415 -0.000 -0.720) 1.588 2.407 ( -1.758 0.000 0.893) 1.972 2.407 ( 1.210 0.000 1.171) 1.683 2.450 ( 0.077 -0.000 0.644) 0.648 2.674 ( -3.593 -0.000 -0.496) 3.627 2.700 ( -3.369 -0.000 -0.231) 3.377 2.940 ( -23.490 -0.000 -0.168) 23.491 2.995 ( -23.041 -0.000 0.465) 23.046 3.813 ( 17.118 0.000 -0.065) 17.118 3.828 ( 17.060 0.000 0.113) 17.061 4.263 ( -0.939 -0.000 -0.121) 0.947 4.275 ( -0.510 -0.000 0.031) 0.511 4.385 ( 0.243 0.000 -0.568) 0.618 4.469 ( 1.242 0.000 0.455) 1.322 4.713 ( 1.530 0.000 -0.347) 1.568 4.776 ( 1.205 0.000 0.396) 1.269 6.065 ( -2.351 -0.000 -0.580) 2.421 6.076 ( 0.480 0.000 -0.190) 0.517 6.118 ( 0.750 0.000 0.262) 0.795 6.170 ( -3.042 -0.000 0.621) 3.105 7.181 ( 0.846 0.000 -0.173) 0.864 7.209 ( -0.616 -0.000 0.153) 0.634 7.618 ( -0.443 -0.000 0.008) 0.443 7.624 ( -0.724 -0.000 0.083) 0.729 12.035 ( -1.670 -0.000 -0.439) 1.727 12.057 ( -0.173 0.000 -0.640) 0.663 12.138 ( -1.928 -0.000 0.312) 1.953 12.273 ( 2.494 0.000 1.919) 3.147 12.401 ( 1.039 0.000 -0.713) 1.260 12.418 ( -1.782 -0.000 -0.996) 2.042 12.628 ( 1.339 0.000 0.030) 1.339 12.629 ( 0.266 0.000 0.013) 0.267 ======================= Grid point 350 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 2.554 -0.000 0.000) 2.554 0.855 ( -2.885 0.000 -0.000) 2.885 1.085 ( 4.144 -0.000 0.000) 4.144 1.109 ( -5.000 0.000 -0.000) 5.000 1.129 ( -4.925 0.000 -0.000) 4.925 1.273 ( -0.871 0.000 -0.000) 0.871 1.370 ( 3.946 -0.000 0.000) 3.946 1.390 ( 6.011 -0.000 0.000) 6.011 1.425 ( 2.340 -0.000 0.000) 2.340 1.497 ( 4.171 -0.000 0.000) 4.171 1.647 ( 8.119 -0.000 0.000) 8.119 1.802 ( -4.309 0.000 -0.000) 4.309 1.833 ( 3.753 -0.000 0.000) 3.753 1.981 ( -1.978 0.000 -0.000) 1.978 2.038 ( -0.338 0.000 -0.000) 0.338 2.121 ( -0.094 0.000 -0.000) 0.094 2.322 ( -1.298 0.000 -0.000) 1.298 2.410 ( -2.349 0.000 -0.000) 2.349 2.412 ( 1.755 -0.000 0.000) 1.755 2.453 ( 0.291 -0.000 0.000) 0.291 2.672 ( -3.695 0.000 -0.000) 3.695 2.699 ( -3.425 0.000 -0.000) 3.425 2.940 ( -23.442 0.000 -0.000) 23.442 2.997 ( -22.971 0.000 -0.000) 22.971 3.813 ( 17.114 -0.000 0.000) 17.114 3.828 ( 17.055 -0.000 0.000) 17.055 4.262 ( -0.951 0.000 -0.000) 0.951 4.276 ( -0.501 0.000 -0.000) 0.501 4.382 ( 0.208 -0.000 0.000) 0.208 4.471 ( 1.258 -0.000 0.000) 1.258 4.712 ( 1.540 -0.000 0.000) 1.540 4.777 ( 1.199 -0.000 0.000) 1.199 6.063 ( -2.355 0.000 -0.000) 2.355 6.075 ( 0.463 -0.000 0.000) 0.463 6.119 ( 0.770 -0.000 0.000) 0.770 6.172 ( -3.060 0.000 -0.000) 3.060 7.181 ( 0.876 -0.000 0.000) 0.876 7.209 ( -0.661 0.000 -0.000) 0.661 7.618 ( -0.438 0.000 -0.000) 0.438 7.625 ( -0.733 0.000 -0.000) 0.733 12.033 ( -1.672 0.000 -0.000) 1.672 12.055 ( -0.156 0.000 -0.000) 0.156 12.139 ( -2.056 0.000 -0.000) 2.056 12.282 ( 2.705 -0.000 0.000) 2.705 12.398 ( 1.136 -0.000 0.000) 1.136 12.413 ( -1.997 0.000 -0.000) 1.997 12.629 ( 0.249 -0.000 0.000) 0.249 12.629 ( 1.371 -0.000 0.000) 1.371 ======================= Grid point 356 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.000 6.488 4.913) 8.139 0.665 ( 0.000 8.815 4.745) 10.011 0.773 ( -0.000 6.664 11.403) 13.207 0.852 ( 0.000 7.584 -4.877) 9.016 0.875 ( -0.000 -0.045 -8.939) 8.939 1.148 ( -0.000 13.092 5.425) 14.171 1.157 ( -0.000 3.779 -9.039) 9.797 1.224 ( -0.000 4.880 1.141) 5.012 1.281 ( -0.000 -0.162 3.868) 3.871 1.415 ( -0.000 -0.522 -3.091) 3.135 1.674 ( -0.000 -1.630 4.772) 5.042 1.727 ( -0.000 -4.348 3.627) 5.663 1.899 ( -0.000 -1.601 -5.358) 5.592 1.945 ( -0.000 -1.113 -6.339) 6.436 2.031 ( -0.000 1.985 0.417) 2.028 2.091 ( -0.000 2.453 -3.813) 4.534 2.185 ( -0.000 -0.591 2.683) 2.747 2.248 ( -0.000 -3.696 -0.390) 3.717 2.308 ( -0.000 2.277 1.929) 2.984 2.385 ( -0.000 2.557 -1.918) 3.197 2.427 ( -0.000 0.177 3.887) 3.891 2.432 ( -0.000 -1.443 4.520) 4.744 2.588 ( -0.000 -1.928 1.528) 2.460 2.693 ( -0.000 -4.033 -4.371) 5.947 4.246 ( -0.000 -2.141 0.255) 2.156 4.252 ( -0.000 -2.387 0.009) 2.387 4.419 ( -0.000 0.380 0.042) 0.382 4.421 ( -0.000 0.215 -0.157) 0.267 4.494 ( -0.000 0.765 1.246) 1.462 4.532 ( -0.000 -0.116 -0.890) 0.897 4.885 ( -0.000 -0.610 0.149) 0.627 4.903 ( -0.000 -1.641 -0.670) 1.773 5.888 ( -0.000 -0.761 0.816) 1.116 5.914 ( -0.000 -1.516 -0.582) 1.623 6.074 ( -0.000 0.796 0.100) 0.802 6.085 ( -0.000 0.461 -0.541) 0.711 7.262 ( -0.000 0.389 0.262) 0.469 7.264 ( -0.000 0.539 0.064) 0.543 7.501 ( -0.000 0.001 -0.010) 0.010 7.502 ( -0.000 -0.053 -0.088) 0.103 11.914 ( 0.000 2.581 1.835) 3.167 12.015 ( -0.000 1.753 -3.579) 3.985 12.132 ( -0.000 0.026 2.649) 2.649 12.258 ( 0.000 0.028 -4.174) 4.174 12.444 ( -0.000 -0.819 2.131) 2.283 12.487 ( 0.000 -0.326 -0.392) 0.510 12.629 ( -0.000 0.009 0.413) 0.413 12.644 ( -0.000 -0.374 -0.358) 0.518 ======================= Grid point 357 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 1.621 3.158 -0.101) 3.551 0.846 ( -3.903 3.163 -0.521) 5.051 0.869 ( -3.580 4.125 3.774) 6.639 0.926 ( -7.221 5.252 6.213) 10.878 1.021 ( -12.489 4.565 -3.855) 13.844 1.154 ( -1.593 3.878 -7.929) 8.969 1.261 ( -1.079 7.808 2.693) 8.330 1.314 ( -9.046 0.521 0.885) 9.104 1.323 ( -3.434 1.911 1.315) 4.144 1.459 ( -8.800 -1.437 -0.726) 8.946 1.664 ( 1.795 -1.922 4.926) 5.584 1.729 ( -0.412 -0.629 3.788) 3.861 1.869 ( 0.063 -0.682 -6.068) 6.106 1.903 ( 0.851 -1.260 -2.378) 2.822 2.021 ( 2.562 2.306 -1.597) 3.799 2.079 ( 2.156 1.557 -1.785) 3.203 2.143 ( 2.880 -2.192 0.523) 3.657 2.254 ( -2.104 -2.179 0.753) 3.121 2.361 ( -2.206 2.607 2.038) 3.976 2.419 ( -2.326 2.072 -0.363) 3.135 2.438 ( -0.444 -0.663 3.279) 3.375 2.467 ( -2.233 -0.276 1.825) 2.897 2.546 ( 2.968 -2.092 -0.457) 3.660 2.618 ( 2.524 -2.465 -2.320) 4.223 4.231 ( -0.228 -1.824 -0.077) 1.840 4.246 ( -0.811 -1.663 0.136) 1.855 4.380 ( 4.441 0.202 -0.047) 4.446 4.391 ( 4.115 -0.106 0.105) 4.118 4.483 ( 2.084 0.251 0.313) 2.123 4.521 ( 0.742 0.339 -0.233) 0.848 4.863 ( 1.912 -0.836 -0.064) 2.088 4.881 ( 1.187 -0.919 -0.222) 1.518 5.898 ( -1.976 -0.430 -0.111) 2.025 5.943 ( -3.927 -1.078 0.074) 4.073 6.073 ( 0.131 0.623 -0.288) 0.698 6.101 ( -1.099 0.226 0.072) 1.124 7.237 ( 1.676 0.187 -0.210) 1.700 7.269 ( 0.936 -0.229 0.202) 0.984 7.522 ( -2.175 0.165 0.022) 2.182 7.524 ( -2.341 0.053 -0.025) 2.342 11.951 ( -1.194 2.110 1.139) 2.678 12.023 ( -1.085 0.500 -1.970) 2.304 12.125 ( 1.518 -0.985 0.404) 1.854 12.253 ( -1.574 0.693 -1.751) 2.454 12.415 ( 2.872 1.442 1.366) 3.492 12.501 ( -0.742 -1.837 -0.266) 1.999 12.634 ( -0.174 -0.158 0.216) 0.320 12.646 ( -0.695 -0.108 0.003) 0.704 ======================= Grid point 358 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 4.021 0.512 -3.761) 5.530 0.886 ( 1.633 1.477 -0.163) 2.208 0.951 ( -3.808 2.044 0.727) 4.383 1.045 ( 0.323 4.296 5.238) 6.782 1.164 ( 1.068 4.292 -3.723) 5.781 1.185 ( -5.100 0.527 -0.574) 5.159 1.323 ( -0.630 -0.109 1.312) 1.460 1.355 ( -1.840 2.626 0.770) 3.297 1.582 ( -5.331 -1.276 4.272) 6.950 1.656 ( -7.408 0.684 -2.686) 7.910 1.723 ( -5.823 -0.203 0.723) 5.871 1.749 ( -11.218 -2.059 -0.963) 11.446 1.880 ( 3.570 0.651 5.346) 6.461 1.885 ( -10.458 2.156 -3.015) 11.095 1.989 ( -1.275 0.325 -5.549) 5.703 2.021 ( 4.172 -0.332 0.028) 4.186 2.090 ( 1.304 -2.396 -0.176) 2.733 2.276 ( -2.033 -1.872 0.274) 2.777 2.407 ( -0.405 0.961 1.806) 2.086 2.440 ( -0.054 0.560 1.905) 1.987 2.466 ( 0.824 -0.319 -1.749) 1.960 2.509 ( -4.973 1.225 0.108) 5.123 2.553 ( -4.582 -0.169 1.012) 4.696 2.578 ( -0.472 -0.214 -0.823) 0.973 4.230 ( -0.810 -0.928 -0.139) 1.240 4.253 ( -0.658 -0.658 0.065) 0.933 4.268 ( 8.679 -0.076 -0.034) 8.679 4.280 ( 8.571 -0.257 0.134) 8.576 4.440 ( 2.594 -0.195 -0.426) 2.636 4.510 ( 1.131 0.532 0.317) 1.290 4.813 ( 3.019 -0.828 -0.199) 3.137 4.847 ( 2.092 -0.413 0.136) 2.137 5.946 ( -3.702 -0.056 -0.398) 3.724 6.018 ( -5.022 -0.388 0.305) 5.046 6.078 ( -0.288 0.318 -0.245) 0.494 6.119 ( -0.774 -0.012 0.203) 0.800 7.214 ( 0.908 -0.161 -0.123) 0.930 7.239 ( 2.007 -0.449 -0.005) 2.057 7.564 ( -2.384 0.276 0.008) 2.400 7.569 ( -2.469 0.104 0.061) 2.472 11.990 ( -1.618 0.658 0.083) 1.749 12.037 ( -1.058 -0.320 -0.178) 1.120 12.092 ( 0.272 -1.303 -1.179) 1.778 12.297 ( -1.790 2.387 1.053) 3.164 12.381 ( 2.850 1.625 -0.003) 3.281 12.479 ( 0.889 -2.499 -0.449) 2.691 12.634 ( -0.009 -0.141 -0.008) 0.141 12.657 ( -0.186 -0.047 0.221) 0.292 ======================= Grid point 359 (140/171) ======================= q-point: ( 0.90 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 4.884 -0.466 -3.074) 5.789 0.847 ( 1.640 -0.249 -0.267) 1.680 1.043 ( -4.805 1.188 0.003) 4.950 1.061 ( 0.473 1.639 1.877) 2.537 1.143 ( 2.525 1.499 -1.610) 3.349 1.246 ( -2.137 -0.058 0.991) 2.357 1.344 ( -3.014 -1.308 0.520) 3.327 1.398 ( 0.016 1.389 1.058) 1.746 1.566 ( 4.120 0.185 2.854) 5.015 1.599 ( 9.256 0.102 -1.053) 9.316 1.743 ( -3.252 -0.351 -3.839) 5.044 1.791 ( 8.308 0.906 1.774) 8.544 1.898 ( 2.765 2.881 0.081) 3.994 1.954 ( -1.274 -3.240 -0.586) 3.530 2.040 ( -0.150 0.774 -0.385) 0.877 2.092 ( -5.749 -3.378 -0.970) 6.739 2.246 ( -17.463 1.739 -0.154) 17.550 2.304 ( -3.950 -2.231 -0.126) 4.538 2.436 ( 1.087 0.020 1.320) 1.710 2.453 ( 0.044 0.621 0.573) 0.846 2.528 ( -12.045 0.853 -0.915) 12.110 2.596 ( -7.592 -0.066 -0.060) 7.592 2.641 ( -7.182 0.749 0.009) 7.221 2.680 ( -10.660 0.141 0.339) 10.667 4.077 ( 13.400 -0.032 -0.028) 13.400 4.090 ( 13.291 -0.047 0.050) 13.291 4.244 ( -1.186 -0.280 -0.080) 1.221 4.265 ( -0.754 -0.161 0.034) 0.772 4.399 ( 1.626 -0.163 -0.313) 1.664 4.493 ( 1.354 0.269 0.234) 1.400 4.754 ( 2.948 -0.465 -0.145) 2.988 4.808 ( 2.199 -0.148 0.161) 2.210 6.010 ( -3.663 0.081 -0.271) 3.674 6.078 ( -0.523 -0.281 -0.111) 0.604 6.106 ( -4.124 0.383 0.245) 4.149 6.126 ( 0.008 -0.087 0.133) 0.159 7.203 ( 1.242 -0.097 0.160) 1.256 7.205 ( 0.460 -0.292 -0.206) 0.582 7.602 ( -1.751 0.168 0.022) 1.759 7.603 ( -1.371 0.061 0.021) 1.373 12.012 ( -1.255 -0.612 -0.177) 1.408 12.050 ( -0.611 -0.203 -0.199) 0.674 12.101 ( -2.085 -0.181 -0.219) 2.105 12.326 ( 2.544 0.591 2.339) 3.506 12.363 ( -0.940 3.434 -1.703) 3.947 12.439 ( 0.965 -3.086 -0.357) 3.253 12.632 ( 0.147 -0.024 -0.018) 0.150 12.650 ( 0.977 -0.018 0.087) 0.981 ======================= Grid point 367 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.000 4.352 6.423) 7.758 0.708 ( -0.000 8.269 5.043) 9.685 0.800 ( -0.000 1.120 -8.363) 8.437 0.808 ( -0.000 7.655 -5.264) 9.291 0.874 ( -0.000 5.722 12.108) 13.392 1.072 ( -0.000 4.186 -10.643) 11.436 1.189 ( -0.000 10.941 4.032) 11.661 1.227 ( -0.000 6.428 -0.434) 6.443 1.316 ( -0.000 -0.126 4.223) 4.225 1.386 ( -0.000 -0.404 -3.763) 3.785 1.719 ( -0.000 -0.951 5.378) 5.461 1.753 ( -0.000 -3.099 2.237) 3.822 1.862 ( -0.000 -1.969 -3.176) 3.737 1.889 ( -0.000 -1.018 -6.193) 6.276 2.036 ( -0.000 2.143 0.864) 2.310 2.064 ( -0.000 2.524 -2.580) 3.609 2.208 ( 0.000 -1.561 2.577) 3.013 2.242 ( -0.000 -3.237 -1.194) 3.450 2.326 ( -0.000 2.885 2.146) 3.596 2.366 ( -0.000 3.033 -2.428) 3.885 2.457 ( -0.000 0.068 2.792) 2.793 2.463 ( 0.000 -0.978 2.419) 2.610 2.603 ( 0.000 -2.979 1.990) 3.582 2.656 ( -0.000 -3.818 -4.173) 5.655 4.248 ( -0.000 -2.211 0.272) 2.228 4.252 ( -0.000 -2.351 -0.133) 2.355 4.419 ( -0.000 0.352 0.039) 0.354 4.420 ( -0.000 0.271 -0.064) 0.279 4.504 ( -0.000 0.541 1.235) 1.349 4.524 ( -0.000 0.100 -1.064) 1.069 4.887 ( -0.000 -0.823 0.415) 0.922 4.897 ( -0.000 -1.390 -0.715) 1.563 5.895 ( -0.000 -1.069 0.853) 1.368 5.909 ( -0.000 -1.443 -0.718) 1.612 6.075 ( 0.000 0.739 0.204) 0.766 6.081 ( -0.000 0.583 -0.465) 0.745 7.263 ( 0.000 0.389 0.143) 0.414 7.264 ( 0.000 0.482 0.040) 0.483 7.501 ( -0.000 -0.037 0.016) 0.041 7.501 ( -0.000 -0.066 -0.077) 0.101 11.933 ( 0.000 2.596 2.460) 3.576 11.984 ( 0.000 2.286 -3.483) 4.166 12.158 ( 0.000 -0.298 3.322) 3.335 12.222 ( 0.000 -0.296 -4.096) 4.107 12.460 ( 0.000 -0.434 1.689) 1.744 12.482 ( 0.000 -0.232 -0.793) 0.826 12.633 ( 0.000 -0.048 0.466) 0.468 12.641 ( 0.000 -0.250 -0.432) 0.499 ======================= Grid point 368 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 3.785 1.202 0.103) 3.973 0.831 ( -3.796 2.714 -1.398) 4.871 0.902 ( -4.766 5.690 2.750) 7.916 0.982 ( -11.250 5.827 0.650) 12.686 1.007 ( -7.944 3.611 6.048) 10.617 1.081 ( -3.279 4.160 -9.027) 10.466 1.278 ( -1.125 8.152 1.052) 8.296 1.319 ( -8.286 0.096 0.291) 8.292 1.331 ( -2.364 1.461 0.498) 2.823 1.454 ( -10.057 -1.347 -0.334) 10.152 1.704 ( 2.370 -1.717 3.556) 4.605 1.752 ( 0.311 0.487 1.414) 1.528 1.821 ( 1.023 -0.569 -4.051) 4.216 1.893 ( -2.751 -1.634 -0.441) 3.230 2.008 ( 4.523 2.692 -1.072) 5.372 2.070 ( 1.494 1.679 -0.484) 2.299 2.147 ( 3.316 -2.359 0.261) 4.078 2.259 ( -2.343 -2.418 0.324) 3.382 2.375 ( -1.538 3.633 1.036) 4.079 2.411 ( -3.551 2.510 -0.791) 4.420 2.461 ( -0.125 -0.756 1.655) 1.824 2.479 ( -0.713 -0.980 0.677) 1.389 2.544 ( 3.080 -2.629 -0.125) 4.051 2.602 ( 1.460 -2.433 -1.128) 3.054 4.230 ( -0.162 -1.854 -0.022) 1.861 4.247 ( -0.815 -1.635 0.041) 1.827 4.379 ( 4.443 0.215 -0.013) 4.448 4.392 ( 4.066 -0.107 0.037) 4.068 4.485 ( 2.448 -0.092 0.127) 2.453 4.520 ( 0.467 0.648 -0.098) 0.805 4.863 ( 1.982 -1.007 -0.012) 2.223 4.879 ( 1.063 -0.707 -0.094) 1.281 5.898 ( -1.805 -0.578 -0.041) 1.896 5.943 ( -4.076 -1.028 0.026) 4.204 6.072 ( 0.185 0.615 -0.104) 0.651 6.101 ( -1.215 0.230 0.022) 1.237 7.236 ( 1.731 0.164 -0.073) 1.740 7.271 ( 0.990 -0.209 0.069) 1.014 7.523 ( -2.123 0.149 0.019) 2.129 7.523 ( -2.457 0.041 -0.021) 2.458 11.960 ( -0.489 2.188 0.712) 2.352 12.008 ( -1.766 1.101 -1.065) 2.337 12.129 ( 2.386 -2.097 0.263) 3.187 12.242 ( -2.727 1.317 -0.692) 3.107 12.423 ( 3.034 1.344 0.495) 3.355 12.499 ( -0.592 -1.712 -0.116) 1.815 12.635 ( -0.061 -0.257 0.078) 0.275 12.646 ( -0.871 0.009 0.003) 0.871 ======================= Grid point 369 (143/171) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 4.507 0.176 0.000) 4.510 0.885 ( 1.572 1.630 0.000) 2.265 0.954 ( -3.268 1.824 -0.000) 3.743 1.074 ( 1.796 4.419 0.000) 4.770 1.140 ( -0.336 4.015 0.000) 4.029 1.183 ( -5.821 0.917 -0.000) 5.892 1.328 ( -0.590 -1.662 -0.000) 1.764 1.359 ( -2.183 4.104 0.000) 4.648 1.612 ( -14.503 -1.559 -0.000) 14.587 1.633 ( 1.611 0.629 0.000) 1.729 1.729 ( 3.946 -0.322 0.000) 3.959 1.741 ( -17.327 -1.589 -0.000) 17.400 1.870 ( -11.798 2.223 -0.000) 12.006 1.925 ( 5.293 2.453 0.000) 5.833 1.945 ( -4.540 -1.192 -0.000) 4.693 2.021 ( 4.068 -0.439 0.000) 4.091 2.090 ( 1.409 -2.413 -0.000) 2.794 2.278 ( -1.941 -2.076 -0.000) 2.842 2.414 ( -0.129 2.135 0.000) 2.139 2.452 ( 0.469 0.122 0.000) 0.485 2.456 ( 0.130 -0.728 -0.000) 0.739 2.509 ( -4.943 1.187 -0.000) 5.084 2.558 ( -4.963 -0.471 -0.000) 4.985 2.573 ( -0.201 -0.075 -0.000) 0.215 4.229 ( -0.808 -0.940 -0.000) 1.240 4.253 ( -0.607 -0.627 -0.000) 0.873 4.268 ( 8.688 -0.075 0.000) 8.688 4.281 ( 8.532 -0.277 0.000) 8.537 4.438 ( 2.663 -0.245 0.000) 2.674 4.511 ( 1.084 0.576 0.000) 1.227 4.812 ( 3.031 -0.861 0.000) 3.150 4.848 ( 2.052 -0.371 0.000) 2.085 5.945 ( -3.667 -0.095 -0.000) 3.668 6.019 ( -5.063 -0.382 -0.000) 5.078 6.076 ( -0.294 0.324 0.000) 0.438 6.120 ( -0.800 -0.013 -0.000) 0.800 7.213 ( 0.854 -0.199 0.000) 0.877 7.239 ( 2.069 -0.403 0.000) 2.108 7.565 ( -2.387 0.277 -0.000) 2.403 7.570 ( -2.476 0.097 -0.000) 2.478 11.990 ( -1.453 0.601 -0.000) 1.573 12.036 ( -1.138 0.083 -0.000) 1.141 12.087 ( 0.231 -1.682 -0.000) 1.698 12.302 ( -2.290 2.811 0.000) 3.626 12.381 ( 3.194 1.174 0.000) 3.403 12.477 ( 1.003 -2.376 -0.000) 2.579 12.634 ( 0.002 -0.161 -0.000) 0.161 12.658 ( -0.195 -0.043 -0.000) 0.200 ======================= Grid point 381 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -0.000 3.415 -5.875) 6.795 0.719 ( -0.000 3.415 5.875) 6.795 0.765 ( -0.000 7.003 -3.711) 7.925 0.765 ( -0.000 7.003 3.711) 7.925 0.976 ( -0.000 4.888 -11.697) 12.678 0.976 ( -0.000 4.888 11.697) 12.678 1.216 ( -0.000 8.575 -2.147) 8.840 1.216 ( -0.000 8.575 2.147) 8.840 1.352 ( 0.000 -0.270 -3.980) 3.989 1.352 ( 0.000 -0.270 3.980) 3.989 1.756 ( 0.000 -1.356 -2.284) 2.657 1.756 ( 0.000 -1.356 2.284) 2.657 1.852 ( 0.000 -1.827 -1.329) 2.259 1.852 ( 0.000 -1.827 1.329) 2.259 2.046 ( -0.000 2.343 -1.439) 2.750 2.046 ( -0.000 2.343 1.439) 2.750 2.228 ( 0.000 -2.510 -1.712) 3.038 2.228 ( 0.000 -2.510 1.712) 3.038 2.345 ( -0.000 3.158 -2.356) 3.940 2.345 ( -0.000 3.158 2.356) 3.940 2.471 ( 0.000 -0.276 -0.417) 0.500 2.471 ( 0.000 -0.276 0.417) 0.500 2.624 ( 0.000 -3.625 -3.031) 4.725 2.624 ( 0.000 -3.625 3.031) 4.725 4.250 ( 0.000 -2.285 -0.185) 2.293 4.250 ( 0.000 -2.285 0.185) 2.293 4.419 ( -0.000 0.314 -0.006) 0.314 4.419 ( -0.000 0.314 0.006) 0.314 4.514 ( -0.000 0.323 -1.150) 1.194 4.514 ( -0.000 0.323 1.150) 1.194 4.892 ( 0.000 -1.103 -0.613) 1.261 4.892 ( 0.000 -1.103 0.613) 1.261 5.902 ( 0.000 -1.299 -0.680) 1.466 5.902 ( 0.000 -1.299 0.680) 1.466 6.077 ( -0.000 0.671 -0.228) 0.709 6.077 ( -0.000 0.671 0.228) 0.709 7.264 ( -0.000 0.426 -0.002) 0.426 7.264 ( -0.000 0.426 0.002) 0.426 7.501 ( 0.000 -0.061 -0.039) 0.073 7.501 ( 0.000 -0.061 0.039) 0.073 11.956 ( -0.000 2.526 -2.980) 3.906 11.956 ( -0.000 2.526 2.980) 3.906 12.188 ( 0.000 -0.396 -3.707) 3.728 12.188 ( 0.000 -0.396 3.707) 3.728 12.473 ( 0.000 -0.254 -0.929) 0.963 12.473 ( 0.000 -0.254 0.929) 0.963 12.637 ( 0.000 -0.136 -0.467) 0.487 12.637 ( 0.000 -0.136 0.467) 0.487 ======================= Grid point 400 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 1.909 -0.000 12.015) 12.166 0.880 ( -1.981 -0.000 -0.285) 2.001 0.981 ( 0.449 -0.000 -2.196) 2.241 1.022 ( 3.233 -0.000 -7.782) 8.427 1.200 ( -2.753 -0.000 3.225) 4.241 1.220 ( -1.672 -0.000 3.829) 4.179 1.280 ( -1.684 -0.000 -4.381) 4.694 1.310 ( -3.291 -0.000 -5.029) 6.010 1.476 ( 4.343 -0.000 1.158) 4.495 1.497 ( 6.805 -0.000 -1.059) 6.887 1.700 ( 3.821 -0.000 5.916) 7.042 1.784 ( 3.927 -0.000 -3.255) 5.100 1.910 ( 0.243 -0.000 2.155) 2.168 1.950 ( 0.091 -0.000 -2.327) 2.329 2.135 ( -0.676 -0.000 5.138) 5.182 2.186 ( 0.306 -0.000 0.180) 0.355 2.347 ( -0.374 -0.000 -0.802) 0.885 2.361 ( -0.697 -0.000 -2.112) 2.225 2.376 ( -1.588 -0.000 1.843) 2.433 2.414 ( -1.604 -0.000 -2.074) 2.622 2.695 ( -2.835 -0.000 0.843) 2.957 2.704 ( -2.827 0.000 -0.178) 2.833 2.953 ( -23.892 -0.000 0.855) 23.907 2.971 ( -23.733 -0.000 -1.162) 23.761 3.817 ( 17.143 -0.000 0.240) 17.144 3.822 ( 17.120 -0.000 -0.288) 17.122 4.269 ( -0.781 -0.000 0.276) 0.828 4.273 ( -0.641 -0.000 -0.186) 0.667 4.415 ( 0.658 -0.000 1.611) 1.741 4.443 ( 0.983 -0.000 -1.499) 1.793 4.734 ( 1.403 -0.000 1.121) 1.795 4.754 ( 1.295 -0.000 -1.169) 1.745 6.087 ( 0.651 -0.000 0.622) 0.901 6.093 ( -0.754 -0.000 0.620) 0.976 6.109 ( -1.087 -0.000 0.479) 1.188 6.135 ( -2.804 -0.000 -1.833) 3.350 7.191 ( 0.419 -0.000 0.514) 0.663 7.200 ( -0.056 -0.000 -0.493) 0.496 7.619 ( -0.522 -0.000 0.061) 0.525 7.620 ( -0.614 -0.000 -0.153) 0.633 12.058 ( -1.643 -0.000 1.165) 2.014 12.074 ( -1.270 -0.000 -0.328) 1.312 12.145 ( 0.270 -0.000 1.906) 1.925 12.194 ( 1.383 -0.000 -3.411) 3.681 12.432 ( 0.060 -0.000 1.101) 1.103 12.441 ( -0.658 0.000 0.137) 0.672 12.627 ( 0.917 -0.000 -0.014) 0.917 12.628 ( 0.551 -0.000 -0.040) 0.552 ======================= Grid point 412 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.903 2.761 6.028) 6.691 0.886 ( 1.344 -2.062 1.001) 2.657 0.953 ( -0.406 2.950 -1.300) 3.249 0.995 ( -3.988 -0.112 -3.594) 5.369 1.178 ( -0.952 1.797 0.641) 2.132 1.229 ( -0.847 -0.104 0.043) 0.854 1.241 ( 1.510 0.695 -1.737) 2.404 1.283 ( 1.880 -2.026 -1.512) 3.151 1.548 ( 2.792 0.926 2.541) 3.887 1.576 ( 3.355 0.680 -3.252) 4.722 1.798 ( 4.932 0.301 4.587) 6.742 1.838 ( 4.493 0.300 -3.991) 6.017 1.911 ( -2.469 1.012 0.848) 2.800 1.960 ( -0.417 -4.605 -0.074) 4.625 2.127 ( -6.598 1.969 2.247) 7.242 2.163 ( -2.454 -1.040 0.839) 2.794 2.272 ( -10.806 -0.158 1.662) 10.934 2.297 ( -5.141 0.181 -3.416) 6.175 2.349 ( -2.257 0.360 1.351) 2.655 2.384 ( -1.503 -1.431 -1.978) 2.867 2.595 ( -9.754 1.519 1.321) 9.959 2.610 ( -11.683 0.032 0.321) 11.687 2.625 ( -7.188 1.310 -0.725) 7.342 2.643 ( -6.421 -0.637 -0.733) 6.494 4.082 ( 13.332 -0.032 0.213) 13.334 4.084 ( 13.308 -0.039 -0.233) 13.310 4.254 ( -1.013 0.006 0.240) 1.041 4.259 ( -0.976 -0.436 -0.194) 1.086 4.441 ( 1.442 0.110 1.672) 2.211 4.457 ( 1.536 -0.004 -1.596) 2.215 4.774 ( 2.720 0.074 0.683) 2.806 4.786 ( 2.576 -0.694 -0.698) 2.757 6.047 ( -3.920 0.692 1.253) 4.173 6.067 ( -3.961 -0.393 -1.188) 4.154 6.099 ( -0.067 0.160 0.622) 0.646 6.107 ( 0.039 -0.309 -0.684) 0.751 7.200 ( 0.962 0.569 -0.010) 1.117 7.212 ( 0.903 -1.000 0.058) 1.349 7.601 ( -1.558 0.150 -0.021) 1.565 7.601 ( -1.558 0.069 -0.023) 1.559 12.034 ( -2.117 0.115 0.591) 2.201 12.047 ( -1.441 -0.984 -0.468) 1.807 12.166 ( 0.617 0.183 3.416) 3.476 12.200 ( 1.247 -0.171 -3.757) 3.962 12.404 ( 0.232 4.534 0.248) 4.547 12.467 ( 0.134 -3.885 0.297) 3.899 12.636 ( 0.331 0.199 0.167) 0.421 12.640 ( 0.582 -0.082 -0.246) 0.637 ======================= Grid point 413 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.182 -0.986 0.000) 1.002 0.851 ( 0.182 0.986 0.000) 1.002 0.976 ( 1.848 -5.796 -0.000) 6.083 0.976 ( 1.848 5.796 0.000) 6.083 1.229 ( -2.553 -2.637 0.000) 3.670 1.229 ( -2.553 2.637 0.000) 3.670 1.270 ( -2.424 -0.317 0.000) 2.444 1.270 ( -2.424 0.317 0.000) 2.444 1.487 ( 5.462 -0.779 0.000) 5.517 1.487 ( 5.462 0.779 0.000) 5.517 1.748 ( 3.615 -0.081 0.000) 3.616 1.748 ( 3.615 0.081 0.000) 3.616 1.930 ( 0.483 -0.059 0.000) 0.487 1.930 ( 0.483 0.059 0.000) 0.487 2.173 ( -0.148 -0.510 0.000) 0.531 2.173 ( -0.148 0.510 0.000) 0.531 2.347 ( -0.408 -0.003 0.000) 0.409 2.347 ( -0.408 0.003 0.000) 0.409 2.395 ( -1.859 -0.423 0.000) 1.906 2.395 ( -1.859 0.423 0.000) 1.906 2.701 ( -2.755 -0.769 -0.000) 2.860 2.701 ( -2.755 0.769 -0.000) 2.860 2.961 ( -23.882 -0.005 -0.000) 23.882 2.961 ( -23.882 0.005 -0.000) 23.882 3.820 ( 17.136 -0.011 0.000) 17.136 3.820 ( 17.136 0.011 0.000) 17.136 4.271 ( -0.710 -0.157 -0.000) 0.727 4.271 ( -0.710 0.157 0.000) 0.727 4.429 ( 0.830 -0.018 0.000) 0.830 4.429 ( 0.830 0.018 0.000) 0.830 4.744 ( 1.347 -0.224 0.000) 1.365 4.744 ( 1.347 0.224 0.000) 1.365 6.092 ( 0.584 -0.633 0.000) 0.861 6.092 ( 0.584 0.633 0.000) 0.861 6.120 ( -2.571 -0.013 0.000) 2.571 6.120 ( -2.571 0.013 0.000) 2.571 7.195 ( 0.189 -0.551 0.000) 0.582 7.195 ( 0.189 0.551 0.000) 0.582 7.619 ( -0.566 -0.018 -0.000) 0.567 7.619 ( -0.566 0.018 -0.000) 0.567 12.068 ( -1.561 -0.052 0.000) 1.562 12.068 ( -1.561 0.052 0.000) 1.562 12.166 ( 0.950 -0.019 0.000) 0.950 12.166 ( 0.950 0.019 0.000) 0.950 12.439 ( -0.308 -4.194 -0.000) 4.206 12.439 ( -0.308 4.194 0.000) 4.206 12.627 ( 0.725 -0.026 0.000) 0.726 12.627 ( 0.725 0.026 0.000) 0.726 ======================= Grid point 423 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.869 5.658 0.000) 5.959 0.869 ( -6.429 6.012 0.000) 8.802 0.912 ( -0.516 1.426 0.000) 1.516 0.944 ( 0.312 -1.813 -0.000) 1.840 1.162 ( 1.299 3.410 0.000) 3.648 1.213 ( -1.077 0.064 -0.000) 1.079 1.278 ( 3.357 2.689 0.000) 4.301 1.332 ( 1.500 -0.442 0.000) 1.564 1.563 ( -2.293 1.508 0.000) 2.744 1.593 ( 0.106 -2.065 -0.000) 2.068 1.724 ( -19.267 -0.175 -0.000) 19.268 1.724 ( -24.501 -0.532 -0.000) 24.507 1.899 ( 5.226 -0.615 0.000) 5.262 1.912 ( 3.905 -1.390 0.000) 4.145 2.065 ( -5.122 0.819 -0.000) 5.187 2.081 ( 3.955 -1.921 0.000) 4.397 2.172 ( -0.617 0.748 0.000) 0.969 2.244 ( -1.812 -2.172 -0.000) 2.829 2.311 ( -1.815 1.561 0.000) 2.394 2.361 ( -2.104 -1.752 -0.000) 2.738 2.499 ( -5.769 2.661 -0.000) 6.354 2.528 ( -2.090 -0.325 -0.000) 2.116 2.555 ( -3.179 0.973 -0.000) 3.325 2.565 ( 3.628 -0.351 0.000) 3.645 4.239 ( -0.730 -0.688 -0.000) 1.003 4.246 ( -1.143 -1.049 -0.000) 1.551 4.271 ( 8.743 0.005 0.000) 8.743 4.273 ( 8.687 -0.172 0.000) 8.689 4.465 ( 1.365 0.958 0.000) 1.668 4.489 ( 2.161 -0.566 0.000) 2.234 4.824 ( 2.778 -0.138 0.000) 2.781 4.839 ( 2.603 -1.194 0.000) 2.864 5.970 ( -4.363 0.788 -0.000) 4.434 5.998 ( -4.248 -0.933 -0.000) 4.349 6.094 ( -0.372 0.481 0.000) 0.608 6.104 ( -0.440 -0.199 -0.000) 0.483 7.219 ( 1.617 0.357 0.000) 1.655 7.239 ( 1.216 -1.053 -0.000) 1.609 7.565 ( -2.350 0.216 -0.000) 2.360 7.566 ( -2.405 0.228 -0.000) 2.416 11.988 ( -2.717 0.968 -0.000) 2.884 12.041 ( -0.787 -2.382 -0.000) 2.509 12.166 ( -0.348 2.404 0.000) 2.429 12.233 ( 2.664 -1.981 -0.000) 3.320 12.381 ( 0.784 4.273 0.000) 4.345 12.497 ( -0.065 -3.433 -0.000) 3.434 12.635 ( -0.208 0.363 0.000) 0.418 12.646 ( 0.016 -0.310 -0.000) 0.311 ======================= Grid point 434 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 5.651 0.000) 5.651 0.705 ( 0.000 4.730 0.000) 4.730 0.716 ( 0.000 9.464 0.000) 9.464 0.960 ( -0.000 -6.647 -0.000) 6.647 1.038 ( 0.000 6.270 0.000) 6.270 1.184 ( -0.000 -3.575 -0.000) 3.575 1.228 ( 0.000 9.192 0.000) 9.192 1.275 ( 0.000 5.574 0.000) 5.574 1.346 ( 0.000 4.153 0.000) 4.153 1.443 ( -0.000 -1.298 -0.000) 1.298 1.568 ( -0.000 -2.695 -0.000) 2.695 1.575 ( -0.000 -4.038 -0.000) 4.038 2.000 ( -0.000 -1.691 -0.000) 1.691 2.014 ( -0.000 -1.792 -0.000) 1.792 2.067 ( 0.000 3.461 0.000) 3.461 2.132 ( 0.000 0.750 0.000) 0.750 2.181 ( -0.000 -2.639 -0.000) 2.639 2.193 ( -0.000 -4.031 -0.000) 4.031 2.266 ( 0.000 2.329 0.000) 2.329 2.308 ( -0.000 -0.811 -0.000) 0.811 2.394 ( 0.000 2.802 0.000) 2.802 2.435 ( 0.000 0.325 0.000) 0.325 2.573 ( 0.000 1.405 0.000) 1.405 2.683 ( -0.000 -5.301 -0.000) 5.301 4.217 ( -0.000 -1.244 -0.000) 1.244 4.221 ( -0.000 -1.517 -0.000) 1.517 4.422 ( 0.000 0.173 0.000) 0.173 4.425 ( -0.000 -0.083 -0.000) 0.083 4.494 ( 0.000 1.585 0.000) 1.585 4.534 ( -0.000 -0.956 -0.000) 0.956 4.879 ( -0.000 -0.289 -0.000) 0.289 4.889 ( -0.000 -1.166 -0.000) 1.166 5.877 ( 0.000 0.332 0.000) 0.332 5.901 ( -0.000 -1.270 -0.000) 1.270 6.084 ( 0.000 0.660 0.000) 0.660 6.095 ( -0.000 -0.068 -0.000) 0.068 7.263 ( 0.000 0.466 0.000) 0.466 7.269 ( 0.000 0.202 0.000) 0.202 7.502 ( 0.000 0.071 0.000) 0.071 7.503 ( -0.000 -0.018 -0.000) 0.018 11.931 ( 0.000 2.970 0.000) 2.970 12.027 ( -0.000 -3.285 -0.000) 3.285 12.161 ( 0.000 4.713 0.000) 4.713 12.313 ( -0.000 -5.284 -0.000) 5.284 12.398 ( 0.000 3.568 0.000) 3.568 12.473 ( -0.000 -1.452 -0.000) 1.452 12.625 ( 0.000 0.249 0.000) 0.249 12.640 ( -0.000 -0.654 -0.000) 0.654 ======================= Grid point 435 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -4.001 4.855 -0.873) 6.352 0.821 ( -4.747 5.479 0.039) 7.250 0.838 ( -7.249 0.941 1.921) 7.558 0.917 ( -1.324 -5.163 -0.413) 5.346 1.193 ( -5.686 4.998 -3.140) 8.196 1.255 ( 1.291 2.542 3.267) 4.336 1.275 ( -11.991 0.427 -0.109) 12.000 1.310 ( -6.517 -0.864 0.595) 6.600 1.356 ( 0.787 4.102 -1.568) 4.461 1.430 ( -2.707 -4.473 0.108) 5.230 1.567 ( -1.858 -0.790 -0.857) 2.193 1.587 ( -2.354 -0.483 3.674) 4.389 1.955 ( 3.307 -0.646 -2.661) 4.294 1.973 ( 2.776 -0.941 0.839) 3.049 2.077 ( 1.704 3.397 -0.355) 3.817 2.124 ( 2.951 -2.890 -0.452) 4.155 2.149 ( -0.986 0.811 -3.124) 3.375 2.199 ( -2.494 -2.312 2.460) 4.197 2.296 ( -1.157 1.429 0.857) 2.028 2.322 ( -1.673 -1.096 2.235) 2.999 2.440 ( -3.121 2.193 0.132) 3.817 2.462 ( -3.155 -0.608 0.037) 3.213 2.572 ( 1.612 1.971 -0.650) 2.628 2.615 ( 2.983 -3.341 -0.287) 4.488 4.218 ( -0.816 -0.670 -0.351) 1.113 4.221 ( -0.959 -0.670 0.374) 1.228 4.384 ( 4.515 0.063 -0.127) 4.517 4.386 ( 4.473 -0.065 0.154) 4.476 4.496 ( 1.176 1.240 -0.242) 1.726 4.515 ( 1.284 -0.945 0.246) 1.613 4.863 ( 1.731 -0.053 -0.222) 1.746 4.869 ( 1.566 -0.677 0.146) 1.712 5.908 ( -3.041 0.585 -0.344) 3.115 5.923 ( -3.291 -1.003 0.271) 3.451 6.091 ( -0.246 0.409 -0.335) 0.584 6.097 ( -0.366 -0.113 0.249) 0.457 7.250 ( 1.585 0.295 -0.383) 1.657 7.257 ( 1.335 -0.252 0.371) 1.409 7.525 ( -2.261 0.085 -0.015) 2.263 7.525 ( -2.211 0.045 -0.006) 2.211 11.966 ( -1.316 2.626 0.190) 2.943 12.008 ( -0.665 -2.992 0.117) 3.067 12.189 ( 0.675 3.807 -1.432) 4.123 12.255 ( 1.672 -3.638 0.468) 4.030 12.421 ( 0.413 3.398 0.193) 3.428 12.468 ( -0.439 -2.801 0.188) 2.841 12.632 ( -0.378 0.362 -0.017) 0.523 12.639 ( -0.393 -0.498 0.107) 0.643 ======================= Grid point 436 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.203 0.000 -8.107) 8.110 0.889 ( -0.574 -0.000 0.518) 0.773 0.946 ( -4.053 -0.000 2.165) 4.595 0.949 ( -2.631 -0.000 3.314) 4.231 1.175 ( 1.117 0.000 -1.328) 1.736 1.237 ( 2.328 0.000 4.815) 5.348 1.309 ( 3.464 0.000 -0.954) 3.593 1.320 ( 2.272 0.000 0.059) 2.272 1.547 ( -3.098 -0.000 -2.524) 3.996 1.621 ( -1.884 -0.000 5.725) 6.027 1.714 ( -21.410 -0.000 -0.697) 21.422 1.720 ( -21.415 -0.000 0.056) 21.415 1.869 ( 4.883 0.000 -3.208) 5.842 1.925 ( 3.266 0.000 2.660) 4.212 2.059 ( 0.429 0.000 -1.341) 1.408 2.068 ( 0.292 0.000 -0.435) 0.524 2.146 ( -1.275 0.000 -6.726) 6.846 2.253 ( -2.901 -0.000 3.816) 4.793 2.322 ( -0.925 -0.000 0.299) 0.972 2.363 ( -1.823 -0.000 3.566) 4.005 2.518 ( -4.167 -0.000 -0.373) 4.184 2.527 ( -1.975 -0.000 0.035) 1.975 2.544 ( -2.243 -0.000 -1.849) 2.907 2.575 ( -0.129 -0.000 1.150) 1.157 4.232 ( -1.192 -0.000 -0.482) 1.285 4.240 ( -1.178 -0.000 0.448) 1.260 4.270 ( 8.783 0.000 -0.171) 8.785 4.273 ( 8.778 0.000 0.230) 8.781 4.466 ( 2.060 0.000 -1.454) 2.522 4.491 ( 1.577 0.000 1.341) 2.070 4.820 ( 2.820 0.000 -0.727) 2.912 4.832 ( 2.495 0.000 0.678) 2.585 5.972 ( -4.257 -0.000 -1.340) 4.463 5.994 ( -4.720 -0.000 1.206) 4.871 6.094 ( -0.231 -0.000 -0.748) 0.783 6.107 ( -0.399 -0.000 0.699) 0.805 7.222 ( 1.343 0.000 -0.488) 1.428 7.230 ( 1.704 0.000 0.371) 1.744 7.567 ( -2.391 -0.000 -0.034) 2.392 7.568 ( -2.415 -0.000 0.095) 2.417 12.005 ( -1.359 -0.000 -0.471) 1.438 12.014 ( -1.808 -0.000 0.609) 1.908 12.167 ( 1.242 0.000 -4.032) 4.218 12.236 ( 0.919 -0.000 3.881) 3.988 12.434 ( 0.227 0.000 -1.129) 1.151 12.448 ( 0.611 0.000 0.567) 0.834 12.637 ( -0.135 -0.000 -0.337) 0.363 12.645 ( -0.174 -0.000 0.524) 0.552 ======================= Grid point 446 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 6.539 0.236) 6.544 0.713 ( -0.000 4.806 1.938) 5.182 0.732 ( -0.000 7.771 3.838) 8.667 0.944 ( 0.000 -5.906 -3.541) 6.886 1.026 ( -0.000 6.518 -2.555) 7.001 1.185 ( 0.000 -3.974 0.295) 3.985 1.241 ( -0.000 8.645 2.697) 9.056 1.281 ( -0.000 4.681 1.240) 4.842 1.333 ( -0.000 4.951 -2.685) 5.632 1.438 ( 0.000 -1.384 -1.317) 1.910 1.579 ( 0.000 -2.340 2.495) 3.420 1.591 ( 0.000 -3.798 3.585) 5.222 1.980 ( 0.000 -1.138 -4.201) 4.352 2.002 ( 0.000 -1.798 -2.784) 3.314 2.066 ( -0.000 3.333 -0.188) 3.338 2.138 ( -0.000 0.665 1.246) 1.413 2.176 ( 0.000 -2.670 -3.079) 4.075 2.188 ( 0.000 -2.835 1.172) 3.068 2.285 ( -0.000 1.610 3.621) 3.963 2.323 ( 0.000 -0.960 3.503) 3.632 2.398 ( -0.000 2.475 0.963) 2.655 2.433 ( -0.000 0.476 -0.411) 0.629 2.572 ( -0.000 1.116 -0.256) 1.145 2.676 ( 0.000 -5.179 -1.547) 5.405 4.217 ( 0.000 -1.255 0.062) 1.257 4.221 ( 0.000 -1.531 0.061) 1.532 4.422 ( -0.000 0.172 0.014) 0.172 4.424 ( 0.000 -0.044 -0.074) 0.086 4.496 ( -0.000 1.482 0.356) 1.524 4.534 ( 0.000 -0.899 -0.170) 0.915 4.879 ( 0.000 -0.283 -0.080) 0.294 4.889 ( 0.000 -1.136 -0.152) 1.146 5.878 ( -0.000 0.268 0.101) 0.287 5.900 ( 0.000 -1.250 -0.177) 1.262 6.084 ( -0.000 0.643 -0.045) 0.644 6.094 ( 0.000 -0.041 -0.182) 0.186 7.264 ( -0.000 0.435 0.109) 0.448 7.269 ( -0.000 0.201 0.006) 0.201 7.502 ( -0.000 0.063 -0.051) 0.081 7.503 ( 0.000 -0.022 -0.065) 0.069 11.934 ( -0.000 2.956 0.605) 3.017 12.027 ( 0.000 -3.104 0.070) 3.105 12.158 ( -0.000 4.521 -0.779) 4.587 12.299 ( 0.000 -4.368 -2.791) 5.183 12.408 ( -0.000 2.663 2.040) 3.354 12.475 ( 0.000 -1.349 0.285) 1.379 12.626 ( -0.000 0.235 0.137) 0.272 12.640 ( 0.000 -0.623 -0.029) 0.624 ======================= Grid point 447 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -1.151 4.221 -3.608) 5.671 0.835 ( -5.443 2.334 2.934) 6.610 0.862 ( -6.300 2.641 3.334) 7.601 0.913 ( -3.313 -3.143 -0.112) 4.568 1.160 ( -5.215 3.770 -4.311) 7.746 1.270 ( -14.750 -0.980 -1.307) 14.840 1.289 ( -0.770 4.197 3.698) 5.646 1.320 ( -2.700 -0.050 1.835) 3.265 1.335 ( 1.845 3.361 -2.667) 4.670 1.430 ( -4.740 -3.712 -0.109) 6.021 1.572 ( -0.715 -1.070 1.805) 2.217 1.628 ( -2.429 -0.171 5.761) 6.254 1.930 ( 3.126 -0.449 -3.099) 4.424 1.965 ( 1.148 -0.817 -2.972) 3.289 2.073 ( 1.916 3.208 -0.591) 3.783 2.116 ( 2.844 -2.236 -1.614) 3.961 2.127 ( 1.263 -0.057 -1.531) 1.986 2.215 ( -3.110 -1.509 1.064) 3.616 2.317 ( -0.585 0.777 3.853) 3.974 2.351 ( -1.665 -0.662 4.168) 4.536 2.442 ( -2.959 1.730 0.335) 3.444 2.462 ( -3.307 -0.227 0.095) 3.317 2.561 ( 2.163 1.151 -1.747) 3.009 2.610 ( 2.245 -2.718 -0.921) 3.643 4.215 ( -0.678 -0.679 -0.291) 1.003 4.224 ( -1.054 -0.671 0.348) 1.297 4.383 ( 4.543 0.052 -0.109) 4.545 4.387 ( 4.409 -0.047 0.180) 4.413 4.493 ( 1.619 0.742 -0.458) 1.839 4.518 ( 0.923 -0.465 0.469) 1.135 4.860 ( 1.881 -0.221 -0.377) 1.931 4.870 ( 1.378 -0.483 0.179) 1.472 5.904 ( -2.711 0.227 -0.617) 2.790 5.926 ( -3.617 -0.676 0.425) 3.704 6.087 ( -0.054 0.282 -0.496) 0.573 6.100 ( -0.606 0.013 0.270) 0.663 7.246 ( 1.682 0.155 -0.485) 1.757 7.261 ( 1.311 -0.125 0.450) 1.392 7.524 ( -2.329 0.067 -0.035) 2.331 7.525 ( -2.212 0.049 -0.019) 2.213 11.969 ( -1.149 2.567 0.549) 2.865 12.010 ( -0.587 -2.789 0.313) 2.867 12.169 ( 1.513 2.310 -2.994) 4.073 12.259 ( -0.097 -1.995 0.413) 2.040 12.424 ( 0.936 2.724 0.555) 2.933 12.470 ( -0.228 -2.327 0.444) 2.380 12.632 ( -0.271 0.177 -0.019) 0.324 12.641 ( -0.530 -0.318 0.252) 0.667 ======================= Grid point 448 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 1.756 0.000 -8.767) 8.941 0.892 ( 0.747 0.000 0.383) 0.839 0.959 ( -4.724 -0.000 0.782) 4.789 0.985 ( -1.989 -0.000 4.942) 5.328 1.173 ( -0.594 -0.000 0.504) 0.779 1.260 ( 3.931 0.000 -0.640) 3.982 1.316 ( 1.318 0.000 3.711) 3.938 1.319 ( 1.208 0.000 -0.330) 1.252 1.535 ( -3.189 -0.000 -0.372) 3.211 1.671 ( -0.542 -0.000 5.817) 5.843 1.706 ( -19.812 -0.000 -1.335) 19.857 1.720 ( -21.154 -0.000 0.036) 21.154 1.847 ( 5.031 0.000 -1.666) 5.300 1.939 ( 0.492 0.000 0.493) 0.696 2.043 ( 0.509 0.000 -2.573) 2.623 2.058 ( 0.290 0.000 -1.972) 1.993 2.098 ( 0.407 0.000 -3.917) 3.938 2.265 ( -3.045 -0.000 -0.217) 3.053 2.345 ( -0.407 -0.000 4.234) 4.253 2.394 ( -1.464 -0.000 3.731) 4.008 2.513 ( 1.204 0.000 -2.749) 3.002 2.516 ( -4.247 -0.000 -0.123) 4.249 2.541 ( -5.661 -0.000 0.613) 5.694 2.581 ( -0.351 -0.000 0.268) 0.442 4.228 ( -1.185 -0.000 -0.417) 1.256 4.243 ( -1.165 -0.000 0.359) 1.219 4.269 ( 8.814 0.000 -0.120) 8.815 4.275 ( 8.793 0.000 0.218) 8.796 4.454 ( 2.305 0.000 -1.281) 2.637 4.501 ( 1.379 0.000 1.096) 1.761 4.814 ( 2.936 0.000 -0.636) 3.004 4.838 ( 2.318 0.000 0.557) 2.384 5.961 ( -4.065 -0.000 -1.182) 4.233 6.003 ( -4.933 -0.000 0.959) 5.026 6.088 ( -0.208 -0.000 -0.640) 0.673 6.112 ( -0.516 -0.000 0.567) 0.767 7.218 ( 1.189 0.000 -0.453) 1.273 7.233 ( 1.872 0.000 0.265) 1.890 7.566 ( -2.401 -0.000 -0.006) 2.401 7.569 ( -2.444 -0.000 0.102) 2.446 12.001 ( -1.029 -0.000 -0.388) 1.100 12.020 ( -1.802 -0.000 0.696) 1.932 12.133 ( 0.987 0.000 -3.685) 3.815 12.267 ( 0.250 -0.000 3.511) 3.520 12.423 ( 0.468 0.000 -1.419) 1.495 12.452 ( 1.001 0.000 0.363) 1.065 12.635 ( -0.111 -0.000 -0.220) 0.247 12.649 ( -0.185 -0.000 0.517) 0.549 ======================= Grid point 458 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 0.000 6.631 0.472) 6.648 0.737 ( 0.000 4.956 3.530) 6.085 0.780 ( -0.000 5.364 7.010) 8.827 0.904 ( -0.000 -4.220 -5.682) 7.078 0.998 ( 0.000 7.108 -3.633) 7.983 1.186 ( 0.000 -4.679 -0.560) 4.713 1.268 ( 0.000 7.277 3.229) 7.961 1.284 ( 0.000 2.589 -1.457) 2.970 1.316 ( 0.000 6.953 0.065) 6.953 1.422 ( 0.000 -1.420 -2.216) 2.632 1.610 ( -0.000 -1.494 4.684) 4.917 1.631 ( 0.000 -3.191 5.285) 6.174 1.936 ( -0.000 -0.277 -5.671) 5.677 1.969 ( -0.000 -1.784 -4.635) 4.966 2.065 ( -0.000 3.054 0.043) 3.054 2.142 ( -0.000 0.119 -2.116) 2.119 2.158 ( -0.000 -0.817 0.636) 1.036 2.197 ( 0.000 -2.849 0.797) 2.958 2.319 ( 0.000 1.811 3.910) 4.310 2.362 ( -0.000 -1.334 5.232) 5.399 2.411 ( 0.000 1.521 1.971) 2.490 2.428 ( 0.000 0.902 -0.809) 1.211 2.569 ( -0.000 0.308 -0.505) 0.592 2.657 ( -0.000 -4.851 -2.871) 5.637 4.218 ( 0.000 -1.287 0.114) 1.292 4.222 ( 0.000 -1.555 0.072) 1.557 4.423 ( -0.000 0.167 0.021) 0.168 4.424 ( 0.000 0.037 -0.086) 0.093 4.500 ( 0.000 1.218 0.601) 1.359 4.532 ( 0.000 -0.736 -0.332) 0.807 4.878 ( 0.000 -0.280 -0.098) 0.297 4.887 ( 0.000 -1.049 -0.270) 1.083 5.879 ( 0.000 0.092 0.199) 0.219 5.898 ( 0.000 -1.187 -0.324) 1.230 6.084 ( -0.000 0.594 -0.059) 0.596 6.092 ( -0.000 0.031 -0.304) 0.305 7.265 ( -0.000 0.359 0.169) 0.397 7.269 ( -0.000 0.196 0.009) 0.196 7.501 ( 0.000 0.041 -0.080) 0.090 7.502 ( -0.000 -0.032 -0.108) 0.112 11.942 ( -0.000 2.901 1.188) 3.135 12.027 ( -0.000 -2.399 -0.246) 2.412 12.150 ( -0.000 3.773 -0.776) 3.852 12.270 ( -0.000 -3.300 -3.779) 5.017 12.428 ( -0.000 1.639 2.372) 2.883 12.478 ( -0.000 -1.073 0.331) 1.122 12.628 ( -0.000 0.192 0.243) 0.310 12.639 ( -0.000 -0.536 -0.069) 0.540 ======================= Grid point 459 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 1.474 2.531 -4.303) 5.205 0.860 ( -5.354 -0.029 1.695) 5.616 0.886 ( -3.431 2.216 2.877) 4.996 0.932 ( -7.096 1.220 5.134) 8.843 1.121 ( -6.037 3.091 -4.748) 8.279 1.245 ( -12.169 0.026 -4.636) 13.022 1.311 ( -1.641 2.837 0.933) 3.407 1.321 ( -2.498 0.816 0.266) 2.642 1.342 ( 0.912 2.605 2.730) 3.882 1.428 ( -7.110 -3.171 -0.387) 7.795 1.597 ( 0.754 -1.136 4.138) 4.357 1.681 ( -2.278 0.152 6.377) 6.774 1.904 ( 1.830 -0.073 -2.919) 3.446 1.925 ( 0.539 -0.711 -5.861) 5.929 2.067 ( 2.202 2.733 -0.779) 3.595 2.101 ( 2.934 -1.288 -1.626) 3.594 2.121 ( 2.659 -0.433 -0.062) 2.695 2.221 ( -2.649 -1.225 0.660) 2.992 2.355 ( -0.595 0.687 4.531) 4.621 2.389 ( -1.277 -0.502 4.555) 4.757 2.446 ( -2.708 1.024 0.329) 2.914 2.463 ( -3.391 0.248 0.140) 3.403 2.543 ( 2.681 0.119 -2.350) 3.567 2.599 ( 1.274 -2.056 -1.565) 2.881 4.213 ( -0.544 -0.695 -0.212) 0.908 4.227 ( -1.121 -0.668 0.275) 1.334 4.382 ( 4.560 0.065 -0.057) 4.561 4.389 ( 4.337 -0.051 0.146) 4.340 4.489 ( 2.081 0.332 -0.414) 2.148 4.522 ( 0.591 -0.082 0.429) 0.735 4.857 ( 2.004 -0.304 -0.356) 2.058 4.872 ( 1.196 -0.359 0.114) 1.254 5.898 ( -2.405 -0.004 -0.578) 2.473 5.929 ( -3.918 -0.497 0.340) 3.964 6.083 ( 0.083 0.240 -0.452) 0.519 6.102 ( -0.819 0.054 0.176) 0.839 7.242 ( 1.810 0.106 -0.400) 1.856 7.264 ( 1.297 -0.096 0.355) 1.348 7.524 ( -2.423 0.044 -0.040) 2.423 7.525 ( -2.231 0.050 -0.028) 2.231 11.975 ( -0.818 2.393 0.822) 2.659 12.013 ( -0.529 -2.254 0.397) 2.349 12.142 ( 2.118 1.040 -3.183) 3.962 12.260 ( -2.048 -0.707 -0.129) 2.171 12.430 ( 1.674 1.827 0.738) 2.586 12.475 ( 0.068 -1.673 0.472) 1.739 12.631 ( -0.160 0.006 0.004) 0.160 12.643 ( -0.686 -0.153 0.283) 0.757 ======================= Grid point 460 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.209 0.000 -7.430) 8.094 0.895 ( 2.080 0.000 0.320) 2.105 0.963 ( -4.711 -0.000 0.350) 4.724 1.032 ( -0.850 -0.000 5.752) 5.814 1.179 ( -2.841 -0.000 0.727) 2.932 1.237 ( 3.527 0.000 -3.859) 5.228 1.315 ( 0.478 0.000 -0.378) 0.609 1.356 ( 0.065 -0.000 4.567) 4.567 1.542 ( -3.626 -0.000 2.190) 4.236 1.691 ( -15.794 -0.000 -2.370) 15.970 1.711 ( 2.211 0.000 2.777) 3.550 1.722 ( -21.634 -0.000 0.660) 21.644 1.847 ( 4.165 0.000 2.206) 4.713 1.929 ( -5.760 -0.000 -2.797) 6.403 2.023 ( 3.100 0.000 -1.496) 3.442 2.033 ( 0.518 0.000 -3.875) 3.910 2.079 ( 1.743 0.000 -1.121) 2.072 2.262 ( -2.505 -0.000 -0.298) 2.523 2.381 ( -0.404 -0.000 4.014) 4.035 2.425 ( -0.889 -0.000 3.335) 3.451 2.488 ( 0.810 0.000 -2.905) 3.016 2.516 ( -4.293 -0.000 0.025) 4.293 2.547 ( -5.643 -0.000 0.652) 5.680 2.580 ( -0.748 -0.000 -0.439) 0.867 4.225 ( -1.171 -0.000 -0.306) 1.211 4.246 ( -1.152 -0.000 0.244) 1.178 4.268 ( 8.852 0.000 -0.071) 8.852 4.277 ( 8.806 0.000 0.172) 8.808 4.445 ( 2.515 0.000 -0.957) 2.691 4.509 ( 1.228 0.000 0.770) 1.449 4.809 ( 3.016 0.000 -0.472) 3.053 4.842 ( 2.163 0.000 0.394) 2.198 5.952 ( -3.920 -0.000 -0.881) 4.018 6.010 ( -5.091 -0.000 0.648) 5.132 6.083 ( -0.225 -0.000 -0.457) 0.509 6.116 ( -0.626 -0.000 0.395) 0.740 7.215 ( 1.073 0.000 -0.349) 1.129 7.234 ( 2.004 0.000 0.162) 2.011 7.566 ( -2.418 -0.000 0.009) 2.418 7.569 ( -2.474 -0.000 0.085) 2.475 11.998 ( -0.724 -0.000 -0.281) 0.777 12.026 ( -1.584 -0.000 0.795) 1.772 12.104 ( 0.526 0.000 -3.019) 3.064 12.295 ( -0.819 -0.000 2.964) 3.075 12.410 ( 1.159 0.000 -1.584) 1.963 12.454 ( 1.370 0.000 0.211) 1.387 12.634 ( -0.090 -0.000 -0.124) 0.153 12.654 ( -0.189 -0.000 0.415) 0.456 ======================= Grid point 471 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 5.459 1.487) 5.658 0.772 ( 0.000 4.894 4.527) 6.666 0.845 ( -0.000 2.788 7.581) 8.078 0.852 ( -0.000 -2.088 -6.261) 6.600 0.968 ( 0.000 8.192 -2.934) 8.702 1.165 ( -0.000 -3.055 -4.646) 5.560 1.272 ( 0.000 2.190 -0.117) 2.193 1.291 ( 0.000 5.415 2.140) 5.823 1.327 ( 0.000 5.396 1.809) 5.691 1.401 ( 0.000 -1.039 -2.679) 2.874 1.657 ( -0.000 -0.601 6.236) 6.265 1.677 ( 0.000 -2.301 5.491) 5.953 1.888 ( 0.000 0.099 -5.415) 5.416 1.924 ( -0.000 -1.589 -5.770) 5.985 2.067 ( -0.000 2.777 0.376) 2.802 2.118 ( -0.000 0.671 -2.783) 2.863 2.171 ( 0.000 -0.522 1.764) 1.839 2.201 ( 0.000 -2.524 0.226) 2.534 2.349 ( 0.000 2.657 3.229) 4.182 2.407 ( 0.000 -1.501 5.013) 5.233 2.419 ( 0.000 1.482 -1.179) 1.894 2.431 ( 0.000 0.301 2.761) 2.778 2.564 ( 0.000 -0.876 -0.621) 1.074 2.628 ( 0.000 -4.419 -3.729) 5.782 4.219 ( 0.000 -1.337 0.144) 1.345 4.222 ( 0.000 -1.560 0.026) 1.560 4.423 ( -0.000 0.160 0.019) 0.161 4.423 ( 0.000 0.103 -0.047) 0.113 4.506 ( 0.000 0.878 0.712) 1.131 4.528 ( 0.000 -0.488 -0.475) 0.681 4.878 ( 0.000 -0.315 -0.032) 0.317 4.884 ( 0.000 -0.912 -0.328) 0.969 5.881 ( -0.000 -0.157 0.291) 0.331 5.895 ( -0.000 -1.075 -0.418) 1.154 6.083 ( -0.000 0.520 -0.023) 0.521 6.089 ( -0.000 0.127 -0.335) 0.359 7.267 ( -0.000 0.276 0.163) 0.321 7.269 ( -0.000 0.188 0.003) 0.188 7.501 ( -0.000 0.011 -0.075) 0.075 7.501 ( -0.000 -0.042 -0.113) 0.121 11.954 ( 0.000 2.763 1.714) 3.252 12.021 ( -0.000 -0.967 -1.099) 1.464 12.147 ( -0.000 2.248 0.287) 2.266 12.237 ( -0.000 -2.566 -3.927) 4.691 12.447 ( -0.000 1.014 2.046) 2.283 12.480 ( 0.000 -0.692 0.085) 0.697 12.630 ( -0.000 0.119 0.299) 0.322 12.638 ( -0.000 -0.407 -0.124) 0.426 ======================= Grid point 472 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 3.436 1.132 -3.338) 4.922 0.859 ( -4.905 0.029 -0.896) 4.986 0.924 ( -3.180 2.139 5.345) 6.577 0.989 ( -7.787 2.498 7.680) 11.219 1.079 ( -7.153 2.546 -5.183) 9.193 1.195 ( -8.218 1.254 -6.829) 10.758 1.312 ( -5.746 0.493 0.050) 5.767 1.331 ( -0.504 0.373 1.252) 1.400 1.362 ( 0.043 3.827 1.765) 4.214 1.424 ( -9.113 -2.817 -0.387) 9.546 1.640 ( 1.982 -0.944 5.593) 6.008 1.732 ( -1.575 0.481 5.228) 5.481 1.865 ( -0.076 0.072 -6.537) 6.538 1.888 ( 0.423 -0.697 -2.070) 2.225 2.057 ( 3.157 2.058 -1.562) 4.079 2.090 ( 2.563 -0.208 -0.794) 2.691 2.123 ( 3.441 -0.505 0.372) 3.498 2.227 ( -2.266 -1.139 0.621) 2.611 2.391 ( -0.707 1.147 3.887) 4.114 2.425 ( -0.799 -0.315 3.785) 3.881 2.447 ( -2.688 0.858 -0.122) 2.824 2.464 ( -2.634 -0.074 0.153) 2.640 2.523 ( 2.563 -0.786 -2.119) 3.417 2.584 ( 0.400 -1.644 -1.886) 2.534 4.211 ( -0.439 -0.712 -0.126) 0.846 4.228 ( -1.160 -0.659 0.173) 1.345 4.382 ( 4.572 0.078 -0.019) 4.573 4.390 ( 4.274 -0.058 0.092) 4.275 4.486 ( 2.431 0.074 -0.271) 2.448 4.525 ( 0.367 0.149 0.284) 0.487 4.854 ( 2.087 -0.348 -0.248) 2.130 4.872 ( 1.055 -0.276 0.055) 1.092 5.894 ( -2.186 -0.140 -0.398) 2.226 5.932 ( -4.131 -0.412 0.205) 4.156 6.080 ( 0.166 0.222 -0.312) 0.418 6.103 ( -0.979 0.069 0.091) 0.986 7.239 ( 1.919 0.081 -0.259) 1.938 7.267 ( 1.301 -0.091 0.220) 1.322 7.524 ( -2.511 0.023 -0.031) 2.511 7.524 ( -2.253 0.051 -0.025) 2.254 11.983 ( -0.338 1.988 0.857) 2.191 12.016 ( -0.672 -1.170 0.321) 1.387 12.117 ( 2.527 -0.143 -2.479) 3.543 12.258 ( -3.578 0.082 -0.350) 3.596 12.436 ( 2.285 1.094 0.611) 2.606 12.478 ( 0.317 -1.095 0.332) 1.187 12.632 ( -0.082 -0.099 0.015) 0.129 12.645 ( -0.806 -0.051 0.215) 0.836 ======================= Grid point 473 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 4.305 0.000 -4.322) 6.100 0.897 ( 2.679 0.000 0.074) 2.680 0.966 ( -4.081 -0.000 0.375) 4.098 1.081 ( 0.821 -0.000 5.453) 5.514 1.184 ( -4.779 -0.000 0.305) 4.789 1.201 ( 2.003 0.000 -4.482) 4.910 1.313 ( 0.176 0.000 -0.211) 0.275 1.386 ( -0.646 -0.000 2.303) 2.392 1.571 ( -6.585 -0.000 4.300) 7.865 1.665 ( -8.119 -0.000 -3.660) 8.906 1.721 ( -10.190 -0.000 0.499) 10.202 1.728 ( -6.665 -0.000 0.121) 6.666 1.884 ( 2.165 0.000 5.932) 6.314 1.902 ( -11.774 -0.000 -2.781) 12.098 1.993 ( 1.138 0.000 -5.590) 5.705 2.017 ( 5.184 0.000 -0.257) 5.191 2.074 ( 2.136 0.000 -0.242) 2.149 2.261 ( -2.143 -0.000 0.012) 2.143 2.411 ( -0.268 -0.000 2.927) 2.939 2.449 ( -0.270 -0.000 2.138) 2.155 2.465 ( 0.435 0.000 -2.465) 2.503 2.516 ( -4.323 -0.000 0.046) 4.323 2.551 ( -5.680 -0.000 0.362) 5.691 2.575 ( -1.221 -0.000 -0.610) 1.365 4.223 ( -1.158 -0.000 -0.162) 1.169 4.248 ( -1.140 -0.000 0.122) 1.146 4.267 ( 8.881 0.000 -0.031) 8.881 4.278 ( 8.813 0.000 0.096) 8.814 4.438 ( 2.659 0.000 -0.513) 2.708 4.514 ( 1.133 0.000 0.396) 1.200 4.806 ( 3.062 0.000 -0.251) 3.072 4.844 ( 2.057 0.000 0.204) 2.067 5.946 ( -3.831 -0.000 -0.470) 3.860 6.014 ( -5.178 -0.000 0.320) 5.188 6.080 ( -0.263 -0.000 -0.234) 0.352 6.119 ( -0.704 -0.000 0.201) 0.732 7.212 ( 1.002 0.000 -0.190) 1.020 7.235 ( 2.089 0.000 0.074) 2.090 7.567 ( -2.434 -0.000 0.009) 2.434 7.570 ( -2.496 -0.000 0.048) 2.497 11.996 ( -0.511 -0.000 -0.149) 0.532 12.033 ( -1.173 -0.000 0.756) 1.396 12.083 ( -0.056 0.000 -1.944) 1.945 12.317 ( -2.299 -0.000 1.988) 3.039 12.397 ( 2.379 0.000 -1.309) 2.715 12.456 ( 1.630 0.000 0.096) 1.633 12.633 ( -0.074 -0.000 -0.054) 0.091 12.656 ( -0.189 -0.000 0.231) 0.299 ======================= Grid point 475 (161/171) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 4.727 -0.000 0.000) 4.727 0.897 ( 2.764 -0.000 0.000) 2.764 0.968 ( -3.663 0.000 -0.000) 3.663 1.111 ( 2.656 -0.000 0.000) 2.656 1.174 ( 0.208 -0.000 0.000) 0.208 1.185 ( -5.565 0.000 -0.000) 5.565 1.312 ( 0.119 -0.000 0.000) 0.119 1.396 ( -0.860 0.000 -0.000) 0.860 1.600 ( -15.601 0.000 -0.000) 15.601 1.639 ( 3.286 -0.000 0.000) 3.286 1.724 ( -21.225 0.000 -0.000) 21.225 1.726 ( 5.286 -0.000 0.000) 5.286 1.889 ( -14.314 0.000 -0.000) 14.314 1.936 ( -4.756 0.000 -0.000) 4.756 1.943 ( 7.582 -0.000 0.000) 7.582 2.016 ( 5.652 -0.000 0.000) 5.652 2.073 ( 2.230 -0.000 0.000) 2.230 2.261 ( -2.020 0.000 -0.000) 2.020 2.427 ( -0.141 0.000 -0.000) 0.141 2.451 ( 0.230 -0.000 0.000) 0.230 2.458 ( 0.042 -0.000 0.000) 0.042 2.517 ( -4.334 0.000 -0.000) 4.334 2.553 ( -5.705 0.000 -0.000) 5.705 2.572 ( -1.477 0.000 -0.000) 1.477 4.222 ( -1.152 0.000 -0.000) 1.152 4.248 ( -1.134 0.000 -0.000) 1.134 4.267 ( 8.891 -0.000 0.000) 8.891 4.279 ( 8.815 -0.000 0.000) 8.815 4.436 ( 2.710 -0.000 0.000) 2.710 4.516 ( 1.101 -0.000 0.000) 1.101 4.805 ( 3.076 -0.000 0.000) 3.076 4.845 ( 2.019 -0.000 0.000) 2.019 5.944 ( -3.801 0.000 -0.000) 3.801 6.016 ( -5.203 0.000 -0.000) 5.203 6.079 ( -0.283 0.000 -0.000) 0.283 6.120 ( -0.732 0.000 -0.000) 0.732 7.212 ( 0.978 -0.000 0.000) 0.978 7.236 ( 2.118 -0.000 0.000) 2.118 7.567 ( -2.440 0.000 -0.000) 2.440 7.570 ( -2.504 0.000 -0.000) 2.504 11.996 ( -0.434 0.000 -0.000) 0.434 12.037 ( -0.863 0.000 -0.000) 0.863 12.074 ( -0.428 0.000 -0.000) 0.428 12.326 ( -3.341 0.000 -0.000) 3.341 12.391 ( 3.328 -0.000 0.000) 3.328 12.456 ( 1.724 -0.000 0.000) 1.724 12.633 ( -0.068 0.000 -0.000) 0.068 12.657 ( -0.189 0.000 -0.000) 0.189 ======================= Grid point 486 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.000 3.618 3.001) 4.701 0.797 ( -0.000 -1.320 -4.625) 4.810 0.816 ( 0.000 6.075 3.794) 7.162 0.883 ( 0.000 2.210 -0.426) 2.250 0.972 ( 0.000 7.332 5.269) 9.029 1.110 ( 0.000 0.299 -7.829) 7.835 1.282 ( 0.000 0.652 1.861) 1.972 1.302 ( -0.000 3.238 0.352) 3.257 1.343 ( -0.000 4.034 1.743) 4.394 1.378 ( -0.000 0.184 -2.592) 2.599 1.711 ( 0.000 -0.062 6.090) 6.090 1.721 ( 0.000 -1.211 4.510) 4.670 1.847 ( 0.000 -0.179 -3.975) 3.979 1.873 ( 0.000 -1.215 -5.973) 6.095 2.072 ( -0.000 2.483 0.848) 2.624 2.097 ( 0.000 1.517 -2.153) 2.634 2.185 ( 0.000 -0.959 1.445) 1.734 2.201 ( 0.000 -2.039 -0.335) 2.066 2.374 ( 0.000 3.095 2.477) 3.964 2.407 ( 0.000 2.268 -1.552) 2.748 2.444 ( 0.000 -1.382 3.474) 3.738 2.454 ( 0.000 -0.463 2.250) 2.297 2.560 ( 0.000 -2.264 0.009) 2.264 2.595 ( 0.000 -3.980 -3.732) 5.456 4.220 ( 0.000 -1.402 0.145) 1.410 4.222 ( 0.000 -1.530 -0.048) 1.531 4.423 ( -0.364 0.144 -0.001) 0.392 4.423 ( 0.364 0.146 0.000) 0.392 4.512 ( 0.000 0.517 0.724) 0.890 4.523 ( 0.000 -0.182 -0.592) 0.619 4.878 ( 0.000 -0.411 0.093) 0.421 4.882 ( 0.000 -0.740 -0.311) 0.803 5.884 ( -0.000 -0.432 0.373) 0.570 5.891 ( -0.000 -0.910 -0.452) 1.016 6.084 ( -0.000 0.432 0.063) 0.436 6.087 ( -0.000 0.232 -0.282) 0.365 7.268 ( -0.000 0.215 0.116) 0.245 7.269 ( -0.000 0.182 -0.018) 0.183 7.500 ( -0.000 -0.017 -0.035) 0.039 7.501 ( -0.000 -0.045 -0.081) 0.093 11.971 ( 0.000 2.456 2.116) 3.242 12.008 ( 0.000 0.676 -1.947) 2.060 12.156 ( 0.000 0.444 1.756) 1.811 12.205 ( 0.000 -1.866 -3.617) 4.070 12.463 ( 0.000 0.560 1.516) 1.616 12.478 ( 0.000 -0.273 -0.370) 0.459 12.633 ( 0.000 0.016 0.300) 0.300 12.637 ( 0.000 -0.260 -0.192) 0.323 ======================= Grid point 487 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 4.492 0.384 -1.250) 4.678 0.853 ( -5.108 0.628 -0.431) 5.164 0.969 ( -0.490 2.668 4.669) 5.400 1.035 ( -10.247 1.769 -4.480) 11.323 1.057 ( -8.814 2.048 7.739) 11.906 1.132 ( -5.502 2.252 -7.425) 9.512 1.313 ( -7.481 -0.337 0.067) 7.489 1.339 ( 1.455 0.027 0.482) 1.533 1.371 ( -1.217 4.136 0.524) 4.343 1.422 ( -10.193 -2.575 -0.151) 10.515 1.685 ( 2.803 -0.683 3.926) 4.872 1.765 ( -0.199 0.790 2.038) 2.195 1.815 ( 0.174 -0.287 -4.189) 4.202 1.877 ( -2.555 -0.533 -0.656) 2.691 2.045 ( 4.486 1.751 -0.887) 4.897 2.087 ( 2.183 0.436 -0.186) 2.234 2.125 ( 3.735 -0.544 0.185) 3.779 2.231 ( -2.124 -1.110 0.266) 2.412 2.419 ( -1.134 1.964 2.414) 3.312 2.442 ( -2.678 1.534 -0.909) 3.217 2.451 ( -0.565 -0.480 1.984) 2.118 2.464 ( -0.559 -1.056 -0.506) 1.297 2.511 ( 1.412 -1.492 -0.660) 2.158 2.570 ( -0.206 -1.454 -1.065) 1.814 4.211 ( -0.382 -0.723 -0.042) 0.818 4.229 ( -1.177 -0.651 0.059) 1.347 4.382 ( 4.579 0.085 -0.003) 4.580 4.390 ( 4.237 -0.064 0.031) 4.238 4.484 ( 2.620 -0.050 -0.093) 2.622 4.527 ( 0.256 0.258 0.098) 0.376 4.853 ( 2.127 -0.370 -0.089) 2.161 4.872 ( 0.978 -0.231 0.015) 1.005 5.892 ( -2.072 -0.205 -0.141) 2.087 5.933 ( -4.240 -0.378 0.067) 4.258 6.078 ( 0.205 0.215 -0.111) 0.318 6.103 ( -1.066 0.075 0.027) 1.069 7.238 ( 1.980 0.069 -0.089) 1.983 7.268 ( 1.308 -0.090 0.074) 1.313 7.524 ( -2.565 0.008 -0.012) 2.566 7.524 ( -2.267 0.053 -0.010) 2.267 11.989 ( 0.143 1.409 0.405) 1.474 12.018 ( -1.039 0.199 0.117) 1.064 12.102 ( 2.832 -1.170 -0.971) 3.214 12.255 ( -4.411 0.458 -0.171) 4.438 12.439 ( 2.611 0.692 0.234) 2.711 12.480 ( 0.451 -0.755 0.117) 0.887 12.632 ( -0.043 -0.146 0.007) 0.152 12.646 ( -0.870 -0.005 0.080) 0.874 ======================= Grid point 498 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.000 1.417 -4.278) 4.506 0.753 ( -0.000 1.417 4.278) 4.506 0.856 ( -0.000 4.770 -4.529) 6.577 0.856 ( -0.000 4.770 4.529) 6.577 1.038 ( -0.000 3.227 -8.714) 9.292 1.038 ( -0.000 3.227 8.714) 9.292 1.297 ( 0.000 1.143 -1.223) 1.675 1.297 ( 0.000 1.143 1.223) 1.675 1.358 ( -0.000 2.269 -1.945) 2.989 1.358 ( -0.000 2.269 1.945) 2.989 1.744 ( 0.000 -0.151 -0.108) 0.186 1.744 ( 0.000 -0.151 0.108) 0.186 1.834 ( 0.000 -0.868 -1.855) 2.048 1.834 ( 0.000 -0.868 1.855) 2.048 2.081 ( -0.000 2.098 -1.376) 2.509 2.081 ( -0.000 2.098 1.376) 2.509 2.195 ( 0.000 -1.494 -0.580) 1.603 2.195 ( 0.000 -1.494 0.580) 1.603 2.392 ( -0.000 2.865 -1.941) 3.461 2.392 ( -0.000 2.865 1.941) 3.461 2.463 ( 0.000 -0.866 -0.589) 1.047 2.463 ( 0.000 -0.866 0.589) 1.047 2.569 ( 0.000 -3.419 -2.087) 4.005 2.569 ( 0.000 -3.419 2.087) 4.005 4.221 ( 0.000 -1.472 -0.053) 1.473 4.221 ( 0.000 -1.472 0.053) 1.473 4.423 ( -0.000 0.148 -0.000) 0.148 4.423 ( -0.000 0.148 0.000) 0.148 4.518 ( 0.000 0.159 -0.588) 0.610 4.518 ( 0.000 0.159 0.588) 0.610 4.879 ( 0.000 -0.562 -0.173) 0.588 4.879 ( 0.000 -0.562 0.173) 0.588 5.887 ( 0.000 -0.692 -0.300) 0.754 5.887 ( 0.000 -0.692 0.300) 0.754 6.085 ( -0.000 0.335 -0.092) 0.347 6.085 ( -0.000 0.335 0.092) 0.347 7.269 ( 0.000 0.186 -0.008) 0.187 7.269 ( 0.000 0.186 0.008) 0.187 7.500 ( 0.000 -0.037 -0.010) 0.039 7.500 ( 0.000 -0.037 0.010) 0.039 11.990 ( -0.000 1.828 -2.225) 2.880 11.990 ( -0.000 1.828 2.225) 2.880 12.176 ( 0.000 -0.939 -2.594) 2.759 12.176 ( 0.000 -0.939 2.594) 2.759 12.473 ( 0.000 0.146 -0.794) 0.807 12.473 ( 0.000 0.146 0.794) 0.807 12.635 ( 0.000 -0.113 -0.233) 0.259 12.635 ( 0.000 -0.113 0.233) 0.259 ======================= Grid point 540 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.940 -2.406 0.000) 2.583 0.871 ( -0.940 2.406 0.000) 2.583 0.933 ( -3.074 -2.208 -0.000) 3.785 0.933 ( -3.074 2.208 0.000) 3.785 1.198 ( 1.884 -0.470 0.000) 1.942 1.198 ( 1.884 0.470 0.000) 1.942 1.317 ( 3.268 -1.812 0.000) 3.737 1.317 ( 3.268 1.812 0.000) 3.737 1.577 ( -2.674 -0.035 0.000) 2.674 1.577 ( -2.674 0.035 0.000) 2.674 1.719 ( -21.718 -0.033 -0.000) 21.718 1.719 ( -21.718 0.033 -0.000) 21.718 1.898 ( 4.339 -0.047 0.000) 4.339 1.898 ( 4.339 0.047 0.000) 4.339 2.067 ( 0.395 -0.024 0.000) 0.395 2.067 ( 0.395 0.024 0.000) 0.395 2.205 ( -2.038 -0.811 0.000) 2.193 2.205 ( -2.038 0.811 0.000) 2.193 2.335 ( -1.774 -0.667 0.000) 1.895 2.335 ( -1.774 0.667 0.000) 1.895 2.523 ( -3.909 -0.366 -0.000) 3.926 2.523 ( -3.909 0.366 -0.000) 3.926 2.562 ( -0.255 -0.004 0.000) 0.255 2.562 ( -0.255 0.004 0.000) 0.255 4.236 ( -1.188 -0.084 -0.000) 1.191 4.236 ( -1.188 0.084 0.000) 1.191 4.271 ( 8.772 -0.015 0.000) 8.772 4.271 ( 8.772 0.015 0.000) 8.772 4.479 ( 1.810 -0.293 0.000) 1.833 4.479 ( 1.810 0.293 0.000) 1.833 4.826 ( 2.669 -0.176 0.000) 2.675 4.826 ( 2.669 0.176 0.000) 2.675 5.983 ( -4.484 -0.412 -0.000) 4.503 5.983 ( -4.484 0.412 0.000) 4.503 6.100 ( -0.298 -0.094 0.000) 0.313 6.100 ( -0.298 0.094 0.000) 0.313 7.226 ( 1.520 -0.432 0.000) 1.581 7.226 ( 1.520 0.432 0.000) 1.581 7.567 ( -2.396 -0.006 -0.000) 2.396 7.567 ( -2.396 0.006 -0.000) 2.396 12.009 ( -1.642 -1.733 -0.000) 2.387 12.009 ( -1.642 1.733 0.000) 2.387 12.201 ( 1.236 -0.787 0.000) 1.465 12.201 ( 1.236 0.787 0.000) 1.465 12.442 ( 0.313 -3.771 -0.000) 3.784 12.442 ( 0.313 3.771 0.000) 3.784 12.641 ( -0.157 -0.216 0.000) 0.267 12.641 ( -0.157 0.216 0.000) 0.267 ======================= Grid point 552 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.000 -0.698 -0.000) 0.698 0.733 ( 0.000 0.698 0.000) 0.698 0.852 ( -0.000 -8.207 -0.000) 8.207 0.852 ( 0.000 8.207 0.000) 8.207 1.122 ( -0.000 -4.952 -0.000) 4.952 1.122 ( 0.000 4.952 0.000) 4.952 1.303 ( -0.000 -1.351 -0.000) 1.351 1.303 ( 0.000 1.351 0.000) 1.351 1.410 ( -0.000 -3.517 -0.000) 3.517 1.410 ( 0.000 3.517 0.000) 3.517 1.544 ( -0.000 -0.002 -0.000) 0.002 1.544 ( 0.000 0.002 0.000) 0.002 1.993 ( -0.000 -0.718 -0.000) 0.718 1.993 ( 0.000 0.718 0.000) 0.718 2.128 ( -0.000 -4.569 -0.000) 4.569 2.128 ( 0.000 4.569 0.000) 4.569 2.149 ( -0.000 -1.656 -0.000) 1.656 2.149 ( 0.000 1.656 0.000) 1.656 2.293 ( -0.000 -1.304 -0.000) 1.304 2.293 ( 0.000 1.304 0.000) 1.304 2.427 ( -0.000 -1.430 -0.000) 1.430 2.427 ( 0.000 1.430 0.000) 1.430 2.612 ( -0.000 -3.896 -0.000) 3.896 2.612 ( 0.000 3.896 0.000) 3.896 4.208 ( -0.000 -0.133 -0.000) 0.133 4.208 ( 0.000 0.133 0.000) 0.133 4.424 ( -0.000 -0.056 -0.000) 0.056 4.424 ( 0.000 0.056 0.000) 0.056 4.517 ( -0.000 -1.398 -0.000) 1.398 4.517 ( 0.000 1.398 0.000) 1.398 4.879 ( -0.000 -0.286 -0.000) 0.286 4.879 ( 0.000 0.286 0.000) 0.286 5.886 ( -0.000 -0.809 -0.000) 0.809 5.886 ( 0.000 0.809 0.000) 0.809 6.092 ( -0.000 -0.350 -0.000) 0.350 6.092 ( 0.000 0.350 0.000) 0.350 7.269 ( -0.000 -0.206 -0.000) 0.206 7.269 ( 0.000 0.206 0.000) 0.206 7.503 ( -0.000 -0.043 -0.000) 0.043 7.503 ( 0.000 0.043 0.000) 0.043 11.978 ( -0.000 -3.268 -0.000) 3.268 11.978 ( 0.000 3.268 0.000) 3.268 12.235 ( -0.000 -5.191 -0.000) 5.191 12.235 ( 0.000 5.191 0.000) 5.191 12.444 ( -0.000 -2.556 -0.000) 2.556 12.444 ( 0.000 2.556 0.000) 2.556 12.631 ( -0.000 -0.496 -0.000) 0.496 12.631 ( 0.000 0.496 0.000) 0.496 ======================= Grid point 564 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 -0.794 1.953) 2.108 0.742 ( -0.000 0.794 1.953) 2.108 0.848 ( 0.000 -7.219 -0.761) 7.259 0.848 ( -0.000 7.219 -0.761) 7.259 1.115 ( 0.000 -5.467 -1.360) 5.633 1.115 ( -0.000 5.467 -1.360) 5.633 1.307 ( 0.000 -0.638 0.765) 0.996 1.307 ( -0.000 0.638 0.765) 0.996 1.404 ( 0.000 -3.562 -1.334) 3.803 1.404 ( -0.000 3.562 -1.334) 3.803 1.561 ( 0.000 -0.091 3.633) 3.634 1.561 ( 0.000 0.091 3.633) 3.634 1.979 ( 0.000 -0.845 -3.077) 3.190 1.979 ( 0.000 0.845 -3.077) 3.190 2.123 ( 0.000 -4.090 -1.003) 4.211 2.123 ( -0.000 4.090 -1.003) 4.211 2.155 ( 0.000 -1.352 1.100) 1.743 2.155 ( -0.000 1.352 1.100) 1.743 2.307 ( 0.000 -1.226 3.170) 3.399 2.307 ( -0.000 1.226 3.170) 3.399 2.427 ( 0.000 -1.245 0.158) 1.255 2.427 ( -0.000 1.245 0.158) 1.255 2.608 ( 0.000 -3.704 -1.072) 3.856 2.608 ( -0.000 3.704 -1.072) 3.856 4.208 ( 0.000 -0.105 0.041) 0.113 4.208 ( -0.000 0.105 0.041) 0.113 4.424 ( 0.000 -0.028 -0.003) 0.028 4.424 ( -0.000 0.028 -0.003) 0.028 4.517 ( 0.000 -1.303 0.057) 1.305 4.517 ( -0.000 1.303 0.057) 1.305 4.879 ( 0.000 -0.262 -0.085) 0.275 4.879 ( -0.000 0.262 -0.085) 0.275 5.885 ( 0.000 -0.745 -0.073) 0.749 5.885 ( -0.000 0.745 -0.073) 0.749 6.091 ( 0.000 -0.309 -0.107) 0.327 6.091 ( -0.000 0.309 -0.107) 0.327 7.269 ( 0.000 -0.134 0.030) 0.137 7.269 ( -0.000 0.134 0.030) 0.137 7.503 ( 0.000 -0.036 -0.069) 0.077 7.503 ( -0.000 0.036 -0.069) 0.077 11.980 ( 0.000 -3.206 0.474) 3.240 11.980 ( -0.000 3.206 0.474) 3.240 12.228 ( 0.000 -4.877 -1.472) 5.094 12.228 ( -0.000 4.877 -1.472) 5.094 12.448 ( 0.000 -2.319 0.783) 2.447 12.448 ( -0.000 2.319 0.783) 2.447 12.631 ( 0.000 -0.466 0.069) 0.471 12.631 ( -0.000 0.466 0.069) 0.471 ======================= Grid point 576 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 -1.828 2.179) 2.844 0.762 ( -0.000 1.828 2.179) 2.844 0.843 ( 0.000 -3.741 -0.019) 3.741 0.843 ( -0.000 3.741 -0.019) 3.741 1.101 ( 0.000 -6.557 -1.865) 6.817 1.101 ( -0.000 6.557 -1.865) 6.817 1.311 ( 0.000 -0.243 0.145) 0.283 1.311 ( 0.000 0.243 0.145) 0.283 1.392 ( 0.000 -3.183 -1.248) 3.419 1.392 ( -0.000 3.183 -1.248) 3.419 1.602 ( 0.000 -0.273 5.873) 5.879 1.602 ( 0.000 0.273 5.873) 5.879 1.945 ( 0.000 -1.276 -4.782) 4.949 1.945 ( -0.000 1.276 -4.782) 4.949 2.114 ( 0.000 -3.163 -1.066) 3.337 2.114 ( -0.000 3.163 -1.066) 3.337 2.165 ( 0.000 -1.004 1.288) 1.633 2.165 ( -0.000 1.004 1.288) 1.633 2.342 ( 0.000 -1.348 4.626) 4.819 2.342 ( -0.000 1.348 4.626) 4.819 2.429 ( 0.000 -0.665 0.319) 0.738 2.429 ( -0.000 0.665 0.319) 0.738 2.595 ( 0.000 -3.150 -2.011) 3.737 2.595 ( -0.000 3.150 -2.011) 3.737 4.209 ( 0.000 -0.069 0.065) 0.095 4.209 ( 0.000 0.069 0.065) 0.095 4.424 ( 0.000 -0.005 -0.000) 0.005 4.424 ( 0.000 0.005 -0.000) 0.005 4.518 ( 0.000 -1.037 0.088) 1.040 4.518 ( -0.000 1.037 0.088) 1.040 4.878 ( 0.000 -0.200 -0.136) 0.241 4.878 ( -0.000 0.200 -0.136) 0.241 5.885 ( 0.000 -0.568 -0.119) 0.580 5.885 ( -0.000 0.568 -0.119) 0.580 6.090 ( 0.000 -0.210 -0.173) 0.272 6.090 ( -0.000 0.210 -0.173) 0.272 7.269 ( 0.000 -0.056 0.046) 0.073 7.269 ( 0.000 0.056 0.046) 0.073 7.502 ( 0.000 -0.021 -0.111) 0.113 7.502 ( 0.000 0.021 -0.111) 0.113 11.986 ( 0.000 -2.978 0.846) 3.096 11.986 ( -0.000 2.978 0.846) 3.096 12.212 ( 0.000 -4.057 -2.310) 4.669 12.212 ( -0.000 4.057 -2.310) 4.669 12.456 ( 0.000 -1.766 1.118) 2.090 12.456 ( -0.000 1.766 1.118) 2.090 12.632 ( 0.000 -0.378 0.112) 0.394 12.632 ( -0.000 0.378 0.112) 0.394 ======================= Grid point 589 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 -3.442 -0.025) 3.442 0.772 ( -0.000 3.442 -0.025) 3.442 0.854 ( 0.000 -1.166 2.656) 2.901 0.854 ( -0.000 1.166 2.656) 2.901 1.085 ( 0.000 -7.053 -1.852) 7.292 1.085 ( -0.000 7.053 -1.852) 7.292 1.308 ( 0.000 -1.860 -0.969) 2.097 1.308 ( -0.000 1.860 -0.969) 2.097 1.385 ( 0.000 -2.013 -0.421) 2.056 1.385 ( -0.000 2.013 -0.421) 2.056 1.657 ( 0.000 -0.206 6.721) 6.724 1.657 ( 0.000 0.206 6.721) 6.724 1.901 ( 0.000 -1.424 -5.411) 5.595 1.901 ( -0.000 1.424 -5.411) 5.595 2.105 ( 0.000 -2.087 -0.812) 2.240 2.105 ( -0.000 2.087 -0.812) 2.240 2.176 ( 0.000 -0.538 1.077) 1.204 2.176 ( 0.000 0.538 1.077) 1.204 2.381 ( 0.000 -1.767 4.368) 4.712 2.381 ( -0.000 1.767 4.368) 4.712 2.433 ( 0.000 -0.201 0.640) 0.671 2.433 ( -0.000 0.201 0.640) 0.671 2.574 ( 0.000 -2.289 -2.623) 3.481 2.574 ( -0.000 2.289 -2.623) 3.481 4.209 ( 0.000 -0.038 0.063) 0.074 4.209 ( 0.000 0.038 0.063) 0.074 4.424 ( 0.000 -0.000 0.006) 0.006 4.424 ( 0.000 0.000 0.006) 0.006 4.518 ( 0.000 -0.645 0.082) 0.650 4.518 ( -0.000 0.645 0.082) 0.650 4.876 ( 0.000 -0.115 -0.135) 0.177 4.876 ( -0.000 0.115 -0.135) 0.177 5.883 ( 0.000 -0.323 -0.119) 0.344 5.883 ( -0.000 0.323 -0.119) 0.344 6.089 ( 0.000 -0.102 -0.172) 0.200 6.089 ( 0.000 0.102 -0.172) 0.200 7.270 ( 0.000 -0.018 0.044) 0.048 7.270 ( 0.000 0.018 0.044) 0.048 7.501 ( 0.000 -0.009 -0.111) 0.111 7.501 ( 0.000 0.009 -0.111) 0.111 11.994 ( 0.000 -2.458 0.978) 2.646 11.994 ( -0.000 2.458 0.978) 2.646 12.191 ( 0.000 -2.832 -2.304) 3.651 12.191 ( -0.000 2.832 -2.304) 3.651 12.465 ( 0.000 -1.116 0.983) 1.487 12.465 ( -0.000 1.116 0.983) 1.487 12.633 ( 0.000 -0.242 0.112) 0.267 12.633 ( -0.000 0.242 0.112) 0.267 ======================= Grid point 602 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 -1.916 -0.701) 2.040 0.767 ( -0.000 1.916 -0.701) 2.040 0.880 ( 0.000 -2.296 2.759) 3.589 0.880 ( -0.000 2.296 2.759) 3.589 1.070 ( 0.000 -5.071 -1.384) 5.256 1.070 ( -0.000 5.071 -1.384) 5.256 1.298 ( 0.000 -1.508 -0.983) 1.800 1.298 ( -0.000 1.508 -0.983) 1.800 1.383 ( 0.000 -0.670 -0.014) 0.670 1.383 ( -0.000 0.670 -0.014) 0.670 1.713 ( 0.000 -0.019 5.997) 5.997 1.713 ( 0.000 0.019 5.997) 5.997 1.855 ( 0.000 -0.901 -5.104) 5.183 1.855 ( 0.000 0.901 -5.104) 5.183 2.100 ( 0.000 -0.966 -0.434) 1.059 2.100 ( -0.000 0.966 -0.434) 1.059 2.183 ( 0.000 -0.148 0.613) 0.631 2.183 ( 0.000 0.148 0.613) 0.631 2.411 ( 0.000 -1.792 2.096) 2.758 2.411 ( -0.000 1.792 2.096) 2.758 2.442 ( 0.000 -1.073 1.570) 1.902 2.442 ( -0.000 1.073 1.570) 1.902 2.552 ( 0.000 -1.154 -2.386) 2.650 2.552 ( 0.000 1.154 -2.386) 2.650 4.210 ( 0.000 -0.011 0.038) 0.039 4.210 ( 0.000 0.011 0.038) 0.039 4.424 ( 0.000 -0.000 0.006) 0.006 4.424 ( 0.000 0.000 0.006) 0.006 4.519 ( 0.000 -0.219 0.048) 0.225 4.519 ( 0.000 0.219 0.048) 0.225 4.875 ( 0.000 -0.035 -0.083) 0.090 4.875 ( 0.000 0.035 -0.083) 0.090 5.883 ( 0.000 -0.096 -0.074) 0.121 5.883 ( 0.000 0.096 -0.074) 0.121 6.088 ( 0.000 -0.026 -0.106) 0.109 6.088 ( 0.000 0.026 -0.106) 0.109 7.270 ( 0.000 -0.004 0.026) 0.026 7.270 ( 0.000 0.004 0.026) 0.026 7.500 ( 0.000 -0.002 -0.069) 0.069 7.500 ( 0.000 0.002 -0.069) 0.069 12.001 ( 0.000 -1.440 0.698) 1.600 12.001 ( -0.000 1.440 0.698) 1.600 12.175 ( 0.000 -1.165 -1.465) 1.871 12.175 ( -0.000 1.165 -1.465) 1.871 12.472 ( 0.000 -0.452 0.555) 0.716 12.472 ( -0.000 0.452 0.555) 0.716 12.634 ( 0.000 -0.085 0.069) 0.110 12.634 ( 0.000 0.085 0.069) 0.110 ======================= Grid point 604 (171/171) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 8.58e-05 8.58e-05 3.67e-09 3.67e-09 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 0.000 -0.000) 0.000 0.764 ( 0.000 0.000 -0.000) 0.000 0.893 ( 0.000 0.000 -0.000) 0.000 0.893 ( 0.000 0.000 -0.000) 0.000 1.064 ( 0.000 0.000 -0.000) 0.000 1.064 ( 0.000 0.000 -0.000) 0.000 1.294 ( 0.000 0.000 -0.000) 0.000 1.294 ( 0.000 0.000 -0.000) 0.000 1.383 ( 0.000 0.000 -0.000) 0.000 1.383 ( 0.000 0.000 -0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 -0.000) 0.000 1.826 ( 0.000 0.000 -0.000) 0.000 2.098 ( 0.000 0.000 -0.000) 0.000 2.098 ( 0.000 0.000 -0.000) 0.000 2.186 ( 0.000 0.000 -0.000) 0.000 2.186 ( 0.000 0.000 -0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 -0.000) 0.000 2.452 ( 0.000 0.000 -0.000) 0.000 2.540 ( 0.000 0.000 -0.000) 0.000 2.540 ( 0.000 0.000 -0.000) 0.000 4.210 ( 0.000 0.000 -0.000) 0.000 4.210 ( 0.000 0.000 -0.000) 0.000 4.424 ( 0.000 0.000 -0.000) 0.000 4.424 ( 0.000 0.000 -0.000) 0.000 4.519 ( 0.000 0.000 -0.000) 0.000 4.519 ( 0.000 0.000 -0.000) 0.000 4.875 ( 0.000 0.000 -0.000) 0.000 4.875 ( 0.000 0.000 -0.000) 0.000 5.882 ( 0.000 0.000 -0.000) 0.000 5.882 ( 0.000 0.000 -0.000) 0.000 6.087 ( 0.000 0.000 -0.000) 0.000 6.087 ( 0.000 0.000 -0.000) 0.000 7.270 ( 0.000 0.000 -0.000) 0.000 7.270 ( 0.000 0.000 -0.000) 0.000 7.500 ( 0.000 0.000 -0.000) 0.000 7.500 ( 0.000 0.000 -0.000) 0.000 12.004 ( 0.000 0.000 -0.000) 0.000 12.004 ( 0.000 0.000 -0.000) 0.000 12.168 ( 0.000 0.000 -0.000) 0.000 12.168 ( 0.000 0.000 -0.000) 0.000 12.474 ( 0.000 0.000 -0.000) 0.000 12.474 ( 0.000 0.000 -0.000) 0.000 12.634 ( 0.000 0.000 -0.000) 0.000 12.634 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/48000 10.0 9.778 8.415 11.670 -0.000 -0.000 0.000 3/48000 20.0 5.220 2.843 3.449 -0.000 -0.000 0.000 3/48000 30.0 3.786 1.639 1.922 -0.000 -0.000 0.000 3/48000 40.0 3.152 1.154 1.338 -0.000 -0.000 0.000 3/48000 50.0 2.735 0.893 1.030 -0.000 -0.000 0.000 3/48000 60.0 2.409 0.730 0.839 -0.000 -0.000 0.000 3/48000 70.0 2.143 0.618 0.708 -0.000 -0.000 0.000 3/48000 80.0 1.924 0.537 0.614 -0.000 -0.000 0.000 3/48000 90.0 1.741 0.476 0.542 -0.000 -0.000 0.000 3/48000 100.0 1.588 0.429 0.485 -0.000 -0.000 0.000 3/48000 110.0 1.459 0.391 0.440 0.000 -0.000 0.000 3/48000 120.0 1.348 0.360 0.403 0.000 -0.000 0.000 3/48000 130.0 1.253 0.335 0.372 0.000 -0.000 0.000 3/48000 140.0 1.170 0.313 0.346 0.000 -0.000 0.000 3/48000 150.0 1.097 0.295 0.323 0.000 -0.000 0.000 3/48000 160.0 1.033 0.279 0.304 0.000 -0.000 0.000 3/48000 170.0 0.975 0.266 0.286 0.000 -0.000 0.000 3/48000 180.0 0.924 0.254 0.271 0.000 -0.000 0.000 3/48000 190.0 0.878 0.243 0.258 0.000 -0.000 0.000 3/48000 200.0 0.837 0.233 0.245 0.000 -0.000 0.000 3/48000 210.0 0.799 0.225 0.234 0.000 -0.000 0.000 3/48000 220.0 0.764 0.217 0.224 0.000 -0.000 0.000 3/48000 230.0 0.733 0.210 0.215 0.000 -0.000 0.000 3/48000 240.0 0.704 0.203 0.207 0.000 -0.000 0.000 3/48000 250.0 0.677 0.197 0.199 0.000 -0.000 0.000 3/48000 260.0 0.652 0.192 0.192 0.000 -0.000 0.000 3/48000 270.0 0.629 0.187 0.186 0.000 -0.000 0.000 3/48000 280.0 0.608 0.182 0.180 0.000 -0.000 0.000 3/48000 290.0 0.588 0.177 0.174 0.000 -0.000 0.000 3/48000 300.0 0.569 0.173 0.169 0.000 -0.000 0.000 3/48000 310.0 0.551 0.169 0.164 0.000 -0.000 0.000 3/48000 320.0 0.535 0.165 0.159 0.000 -0.000 0.000 3/48000 330.0 0.519 0.162 0.155 0.000 -0.000 0.000 3/48000 340.0 0.505 0.158 0.151 0.000 -0.000 0.000 3/48000 350.0 0.491 0.155 0.147 0.000 -0.000 0.000 3/48000 360.0 0.478 0.152 0.143 0.000 -0.000 0.000 3/48000 370.0 0.466 0.149 0.140 0.000 -0.000 0.000 3/48000 380.0 0.454 0.147 0.136 0.000 -0.000 0.000 3/48000 390.0 0.443 0.144 0.133 0.000 -0.000 0.000 3/48000 400.0 0.432 0.142 0.130 0.000 -0.000 0.000 3/48000 410.0 0.422 0.139 0.127 0.000 -0.000 0.000 3/48000 420.0 0.413 0.137 0.125 0.000 -0.000 0.000 3/48000 430.0 0.403 0.135 0.122 0.000 -0.000 0.000 3/48000 440.0 0.395 0.133 0.119 0.000 -0.000 0.000 3/48000 450.0 0.386 0.131 0.117 0.000 -0.000 0.000 3/48000 460.0 0.378 0.129 0.115 0.000 -0.000 0.000 3/48000 470.0 0.371 0.127 0.113 0.000 -0.000 0.000 3/48000 480.0 0.363 0.125 0.111 0.000 -0.000 0.000 3/48000 490.0 0.356 0.124 0.109 0.000 -0.000 0.000 3/48000 500.0 0.349 0.122 0.107 0.000 -0.000 0.000 3/48000 510.0 0.343 0.120 0.105 0.000 -0.000 0.000 3/48000 520.0 0.336 0.119 0.103 0.000 -0.000 0.000 3/48000 530.0 0.330 0.117 0.101 0.000 -0.000 0.000 3/48000 540.0 0.325 0.116 0.100 0.000 -0.000 0.000 3/48000 550.0 0.319 0.114 0.098 0.000 -0.000 0.000 3/48000 560.0 0.313 0.113 0.096 0.000 -0.000 0.000 3/48000 570.0 0.308 0.112 0.095 0.000 -0.000 0.000 3/48000 580.0 0.303 0.111 0.093 0.000 -0.000 0.000 3/48000 590.0 0.298 0.109 0.092 0.000 -0.000 0.000 3/48000 600.0 0.293 0.108 0.091 0.000 -0.000 0.000 3/48000 610.0 0.289 0.107 0.089 0.000 -0.000 0.000 3/48000 620.0 0.284 0.106 0.088 0.000 -0.000 0.000 3/48000 630.0 0.280 0.105 0.087 0.000 -0.000 0.000 3/48000 640.0 0.276 0.104 0.086 0.000 -0.000 0.000 3/48000 650.0 0.272 0.103 0.085 0.000 -0.000 0.000 3/48000 660.0 0.268 0.102 0.083 0.000 -0.000 0.000 3/48000 670.0 0.264 0.101 0.082 0.000 -0.000 0.000 3/48000 680.0 0.260 0.100 0.081 0.000 -0.000 0.000 3/48000 690.0 0.257 0.099 0.080 0.000 -0.000 0.000 3/48000 700.0 0.253 0.098 0.079 0.000 -0.000 0.000 3/48000 710.0 0.250 0.097 0.078 0.000 -0.000 0.000 3/48000 720.0 0.247 0.096 0.077 0.000 -0.000 0.000 3/48000 730.0 0.243 0.095 0.076 0.000 -0.000 0.000 3/48000 740.0 0.240 0.094 0.075 0.000 -0.000 0.000 3/48000 750.0 0.237 0.093 0.075 0.000 -0.000 0.000 3/48000 760.0 0.234 0.093 0.074 0.000 -0.000 0.000 3/48000 770.0 0.231 0.092 0.073 0.000 -0.000 0.000 3/48000 780.0 0.229 0.091 0.072 0.000 -0.000 0.000 3/48000 790.0 0.226 0.090 0.071 0.000 -0.000 0.000 3/48000 800.0 0.223 0.090 0.071 0.000 -0.000 0.000 3/48000 810.0 0.220 0.089 0.070 0.000 -0.000 0.000 3/48000 820.0 0.218 0.088 0.069 0.000 -0.000 0.000 3/48000 830.0 0.215 0.088 0.068 0.000 -0.000 0.000 3/48000 840.0 0.213 0.087 0.068 0.000 -0.000 0.000 3/48000 850.0 0.211 0.086 0.067 0.000 -0.000 0.000 3/48000 860.0 0.208 0.086 0.066 0.000 -0.000 0.000 3/48000 870.0 0.206 0.085 0.066 0.000 -0.000 0.000 3/48000 880.0 0.204 0.084 0.065 0.000 -0.000 0.000 3/48000 890.0 0.202 0.084 0.064 0.000 -0.000 0.000 3/48000 900.0 0.199 0.083 0.064 0.000 -0.000 0.000 3/48000 910.0 0.197 0.083 0.063 0.000 -0.000 0.000 3/48000 920.0 0.195 0.082 0.062 0.000 -0.000 0.000 3/48000 930.0 0.193 0.081 0.062 0.000 -0.000 0.000 3/48000 940.0 0.191 0.081 0.061 0.000 -0.000 0.000 3/48000 950.0 0.189 0.080 0.061 0.000 -0.000 0.000 3/48000 960.0 0.188 0.080 0.060 0.000 -0.000 0.000 3/48000 970.0 0.186 0.079 0.060 0.000 -0.000 0.000 3/48000 980.0 0.184 0.079 0.059 0.000 -0.000 0.000 3/48000 990.0 0.182 0.078 0.059 0.000 -0.000 0.000 3/48000 1000.0 0.180 0.078 0.058 0.000 -0.000 0.000 3/48000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:17:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|